Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	ZINC000000006787	26/54/60/183265460	LUKBXSAWLPMMSZ-OWOJBTEDSA-N	0	228.247	BF	2.974	0	Anodyne	ref	BFAARN	Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	world endogenous
Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1	ZINC000000014036	26/09/16/183260916	CDRPUGZCRXZLFL-OWOJBTEDSA-N	0	244.246	BF	2.679	0	Clean	ref	BFCARN	Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1	in-man endogenous
C/C=C/c1cc(OC)c(OC)cc1OC	ZINC000000056550	24/45/60/187244560	RKFAZBXYICVSKP-AATRIKPKSA-N	0	208.257	BF	2.746	0	Anodyne	ref	BFAARN	C/C=C/c1cc(OC)c(OC)cc1OC	in-man endogenous
COc1c2ccoc2cc2oc(C)cc(=O)c12	ZINC000000120179	93/66/82/174936682	NZVQLVGOZRELTG-UHFFFAOYSA-N	0	230.219	BF	2.856	0	Anodyne	ref	BFAARN	COc1c2ccoc2cc2oc(C)cc(=O)c12	in-vitro biogenic
COc1c2ccoc2c(OC)c2oc(=O)ccc12	ZINC000000314951	68/30/71/342683071	DFMAXQKDIGCMTL-UHFFFAOYSA-N	0	246.218	BF	2.556	0	Anodyne	ref	BFAARN	COc1c2ccoc2c(OC)c2oc(=O)ccc12	in-man endogenous
CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1	ZINC000000338304	10/89/49/191108949	QOTBQNVNUBKJMS-UHFFFAOYSA-N	0	228.247	BF	2.977	0	Anodyne	ref	BFAARN	CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1	in-vitro biogenic
O=C(OCCc1ccccc1)c1ccccc1O	ZINC000000397608	68/64/37/342686437	YNMSDIQQNIRGDP-UHFFFAOYSA-N	0	242.274	BF	2.792	0	Anodyne	ref	BFAARN	O=C(OCCc1ccccc1)c1ccccc1O	in-man endogenous
CC(=O)c1cc2c(cc1O)OC(C)(C)C=C2	ZINC000000897926	88/26/55/383882655	SVUVYHFYZBCYRF-UHFFFAOYSA-N	0	218.252	BF	2.779	0	Anodyne	ref	BFAARN	CC(=O)c1cc2c(cc1O)OC(C)(C)C=C2	in-vitro biogenic
COc1c(OC)c2occc2c2oc(=O)ccc12	ZINC000000898309	69/44/62/342694462	BQPRWZCEKZLBHL-UHFFFAOYSA-N	0	246.218	BF	2.556	0	Anodyne	ref	BFAARN	COc1c(OC)c2occc2c2oc(=O)ccc12	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@@H](C)C(CCC(C)=O)=CC[C@H]12	ZINC000000898680	59/81/44/385598144	AVFIYMSJDDGDBQ-OWYVNGRQSA-N	0	248.322	BF	2.81	0	Mild	ref	BFEARN	C=C1C(=O)O[C@@H]2C[C@@H](C)C(CCC(C)=O)=CC[C@H]12	in-vitro biogenic
COc1cc(O)c2c(c1)CCc1cc(O)ccc1-2	ZINC000000899126	29/88/02/187298802	RDKDIPDDUFMMMT-UHFFFAOYSA-N	0	242.274	BF	2.872	0	Anodyne	ref	BFAARN	COc1cc(O)c2c(c1)CCc1cc(O)ccc1-2	in-vitro biogenic
Oc1cc(O)cc(/C=C/c2ccc(O)cc2O)c1	ZINC000000899161	26/12/32/183261232	PDHAOJSHSJQANO-OWOJBTEDSA-N	0	244.246	BF	2.679	0	Anodyne	ref	BFAARN	Oc1cc(O)cc(/C=C/c2ccc(O)cc2O)c1	biogenic in-vivo
COc1cc(/C=C/c2ccccc2)oc(=O)c1	ZINC000000899562	69/44/03/342694403	DKKJNZYHGRUXBS-BQYQJAHWSA-N	0	228.247	BF	2.819	0	Anodyne	ref	BFAARN	COc1cc(/C=C/c2ccccc2)oc(=O)c1	in-man endogenous
CCCCCCCCCC[C@@H](O)C(=O)O	ZINC000001671060	30/09/63/352300963	YDZIJQXINJLRLL-LLVKDONJSA-N	-1	216.321	BF	2.963	0	Mild	ref	BFEARM	CCCCCCCCCC[C@@H](O)C(=O)[O-]	in-vitro biogenic
COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1	ZINC000001703459	01/31/52/174013152	XEAQIWGXBXCYFX-GUOLPTJISA-N	0	230.263	BF	2.546	0	Anodyne	ref	BFAARN	COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1	in-man aggregator biogenic
COc1cc2occc2c2oc(=O)ccc12	ZINC000001846642	02/94/02/175029402	AJSPSRWWZBBIOR-UHFFFAOYSA-N	0	216.192	BF	2.548	0	Anodyne	ref	BFAARN	COc1cc2occc2c2oc(=O)ccc12	in-vitro biogenic
CCCCCCCCCC[C@H](O)C(=O)O	ZINC000002043222	92/58/51/351925851	YDZIJQXINJLRLL-NSHDSACASA-N	-1	216.321	BF	2.963	0	Mild	ref	BFEARM	CCCCCCCCCC[C@H](O)C(=O)[O-]	in-vitro biogenic
COc1c2occc2cc2ccc(=O)oc12	ZINC000002548959	72/38/58/342723858	QXKHYNVANLEOEG-UHFFFAOYSA-N	0	216.192	BF	2.548	0	Anodyne	ref	BFAARN	COc1c2occc2cc2ccc(=O)oc12	fda biogenic
C=C1C(=O)O[C@@H]2C[C@H](C)C(CCC(C)=O)=CC[C@H]12	ZINC000004098195	13/74/86/372137486	AVFIYMSJDDGDBQ-CUOATXAZSA-N	0	248.322	BF	2.81	0	Mild	ref	BFEARN	C=C1C(=O)O[C@@H]2C[C@H](C)C(CCC(C)=O)=CC[C@H]12	in-vitro biogenic
C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@H]12	ZINC000004098225	58/55/72/187585572	RBRPTFMVULVGIC-ZTIIIDENSA-N	0	246.306	BF	2.586	0	Mild	ref	BFEARN	C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@H]12	in-vitro biogenic
CC(C)=CCc1cc(C(=O)O)ccc1O	ZINC000004654776	11/90/97/191119097	LBSJJNAMGVDGCU-UHFFFAOYSA-N	-1	206.241	BF	2.599	0	Anodyne	ref	BFAARM	CC(C)=CCc1cc(C(=O)[O-])ccc1O	in-vitro biogenic
C=C1CCC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12	ZINC000005373275	35/69/33/355356933	FBMORZZOJSDNRQ-GLQYFDAESA-N	0	248.322	BF	2.705	0	Mild	ref	BFEARN	C=C1CCC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12	in-vitro biogenic
CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](O)C1	ZINC000005416353	12/01/84/168120184	SUAPQGLGNKUSLY-LJISPDSOSA-N	0	238.371	BF	2.891	0	Anodyne	ref	BFAARN	CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](O)C1	in-vitro biogenic
Cc1coc2c1C[C@H]1O[C@@]1(C)CC[C@H]1O[C@]1(C)C2	ZINC000005663085	29/99/04/187299904	FNQFNSGVMLMZNV-APIJFGDWSA-N	0	248.322	BF	2.782	0	Mild	ref	BFEBRN	Cc1coc2c1C[C@H]1O[C@@]1(C)CC[C@H]1O[C@]1(C)C2	in-man biogenic
Cc1coc2c1C[C@@H]1O[C@@]1(C)CC[C@H]1O[C@]1(C)C2	ZINC000005663086	15/77/61/188157761	FNQFNSGVMLMZNV-CBBWQLFWSA-N	0	248.322	BF	2.782	0	Mild	ref	BFEBRN	Cc1coc2c1C[C@@H]1O[C@@]1(C)CC[C@H]1O[C@]1(C)C2	in-man biogenic
Cc1coc2c1C[C@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)C2	ZINC000005663088	15/76/30/188157630	FNQFNSGVMLMZNV-KBUPBQIOSA-N	0	248.322	BF	2.782	0	Mild	ref	BFEBRN	Cc1coc2c1C[C@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)C2	in-man biogenic
Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)C2	ZINC000005663090	41/25/61/574412561	FNQFNSGVMLMZNV-LXTVHRRPSA-N	0	248.322	BF	2.782	0	Mild	ref	BFEARN	Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)C2	in-man endogenous
C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1	ZINC000005811517	12/28/80/191122880	WTFIFQXTQCYJKU-JWVODRKRSA-N	0	218.252	BF	2.534	0	Anodyne	ref	BFAARN	C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1	in-vitro biogenic
COc1cc(-c2cccc(O)c2)cc2c1OCO2	ZINC000005999042	27/77/85/346277785	RZEQCWOSRBVTLN-UHFFFAOYSA-N	0	244.246	BF	2.796	0	Anodyne	ref	BFABRN	COc1cc(-c2cccc(O)c2)cc2c1OCO2	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21	ZINC000012362725	00/78/78/350007878	KTEXNACQROZXEV-PWNZVWSESA-N	0	248.322	BF	2.762	0	Mild	ref	BFEARN	C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21	 
COc1cc(O)cc(CCc2cccc(O)c2)c1	ZINC000013340870	00/56/58/175005658	VYQXIUVIYICVCM-UHFFFAOYSA-N	0	244.29	BF	2.892	0	Anodyne	ref	BFAARN	COc1cc(O)cc(CCc2cccc(O)c2)c1	in-man endogenous
C=C1CC/C=C(/CO)C(=O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000013483054	92/84/55/384928455	GVUHIWDAWNDBKR-RLLAQXBXSA-N	0	234.339	BF	2.877	0	Mild	ref	BFEARN	C=C1CC/C=C(/CO)C(=O)C[C@@H]2[C@@H]1CC2(C)C	in-vitro biogenic
COc1c(O)ccc2c(=O)c3ccccc3oc12	ZINC000013838742	81/11/31/362811131	WRPFBSLWEKZESU-UHFFFAOYSA-N	-1	242.23	BF	2.66	3	Bother	high	BFBAHM	COc1c([O-])ccc2c(=O)c3ccccc3oc12	in-vitro biogenic
COc1c(O)ccc2c(=O)c3ccccc3oc12	ZINC000013838742	81/11/14/362811114	WRPFBSLWEKZESU-UHFFFAOYSA-N	0	242.23	BF	2.66	0	Bother	ref	BFBARN	COc1c(O)ccc2c(=O)c3ccccc3oc12	in-vitro biogenic
C=C1C(=O)O[C@H]2C3=C(C)CCC[C@]3(C)C(=O)C[C@@H]12	ZINC000014452287	02/21/50/385022150	CPHPAWJXZHHPEN-PSOPSSQASA-N	0	246.306	BF	2.564	0	Mild	ref	BFEARN	C=C1C(=O)O[C@H]2C3=C(C)CCC[C@]3(C)C(=O)C[C@@H]12	in-vitro biogenic
CC[C@@](C)(O)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490828	17/85/21/171178521	SYVFGLXUEAXFAP-WCQYABFASA-N	0	226.316	BF	2.58	3	Anodyne	high	BFAAHN	CC[C@@](C)(O)CCCCCC1C=CC(=O)O1	in-vitro biogenic
CC[C@@](C)(O)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490828	17/85/18/171178518	SYVFGLXUEAXFAP-WCQYABFASA-N	0	226.316	BF	2.58	0	Anodyne	ref	BFAARN	CC[C@@](C)(O)CCCCC[C@H]1C=CC(=O)O1	in-vitro biogenic
CC[C@](C)(O)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490830	88/79/97/362887997	SYVFGLXUEAXFAP-AAEUAGOBSA-N	0	226.316	BF	2.58	3	Anodyne	high	BFAAHN	CC[C@](C)(O)CCCCCC1C=CC(=O)O1	in-vitro biogenic
CC[C@](C)(O)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490830	88/79/84/362887984	SYVFGLXUEAXFAP-AAEUAGOBSA-N	0	226.316	BF	2.58	0	Anodyne	ref	BFAARN	CC[C@](C)(O)CCCCC[C@H]1C=CC(=O)O1	in-vitro biogenic
CC[C@@](C)(O)CCCCC[C@@H]1C=CC(=O)O1	ZINC000014490832	17/88/59/171178859	SYVFGLXUEAXFAP-DGCLKSJQSA-N	0	226.316	BF	2.58	3	Anodyne	high	BFAAHN	CC[C@@](C)(O)CCCCCC1C=CC(=O)O1	in-vitro biogenic
CC[C@@](C)(O)CCCCC[C@@H]1C=CC(=O)O1	ZINC000014490832	17/88/55/171178855	SYVFGLXUEAXFAP-DGCLKSJQSA-N	0	226.316	BF	2.58	0	Anodyne	ref	BFAARN	CC[C@@](C)(O)CCCCC[C@@H]1C=CC(=O)O1	in-vitro biogenic
CC[C@](C)(O)CCCCC[C@@H]1C=CC(=O)O1	ZINC000014490834	88/90/00/362889000	SYVFGLXUEAXFAP-YPMHNXCESA-N	0	226.316	BF	2.58	3	Anodyne	high	BFAAHN	CC[C@](C)(O)CCCCCC1C=CC(=O)O1	in-vitro biogenic
CC[C@](C)(O)CCCCC[C@@H]1C=CC(=O)O1	ZINC000014490834	88/89/90/362888990	SYVFGLXUEAXFAP-YPMHNXCESA-N	0	226.316	BF	2.58	0	Anodyne	ref	BFAARN	CC[C@](C)(O)CCCCC[C@@H]1C=CC(=O)O1	in-vitro biogenic
CC(=O)[C@@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490844	88/96/51/362889651	MSOHKYKACHEERC-JQWIXIFHSA-N	0	224.3	BF	2.644	3	Anodyne	high	BFAAHN	CC(=O)[C@@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
CC(=O)[C@@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490844	88/96/47/362889647	MSOHKYKACHEERC-JQWIXIFHSA-N	0	224.3	BF	2.644	0	Anodyne	ref	BFAARN	CC(=O)[C@@H](C)CCCCC[C@H]1C=CC(=O)O1	in-vitro biogenic
CC(=O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490846	84/15/87/344841587	MSOHKYKACHEERC-PWSUYJOCSA-N	0	224.3	BF	2.644	3	Anodyne	high	BFAAHN	CC(=O)[C@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
CC(=O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490846	84/15/76/344841576	MSOHKYKACHEERC-PWSUYJOCSA-N	0	224.3	BF	2.644	0	Anodyne	ref	BFAARN	CC(=O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1	in-vitro biogenic
CC(=O)[C@@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000014490848	24/42/87/384244287	MSOHKYKACHEERC-CMPLNLGQSA-N	0	224.3	BF	2.644	3	Anodyne	high	BFAAHN	CC(=O)[C@@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
CC(=O)[C@@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000014490848	24/42/73/384244273	MSOHKYKACHEERC-CMPLNLGQSA-N	0	224.3	BF	2.644	0	Anodyne	ref	BFAARN	CC(=O)[C@@H](C)CCCCC[C@@H]1C=CC(=O)O1	in-vitro biogenic
CC(=O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000014490850	88/96/68/362889668	MSOHKYKACHEERC-ZYHUDNBSSA-N	0	224.3	BF	2.644	3	Anodyne	high	BFAAHN	CC(=O)[C@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
CC(=O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000014490850	88/96/59/362889659	MSOHKYKACHEERC-ZYHUDNBSSA-N	0	224.3	BF	2.644	0	Anodyne	ref	BFAARN	CC(=O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1	in-vitro biogenic
C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	ZINC000014619485	65/18/90/187651890	ZFHSKBJBODQVBX-AXTRIDKLSA-N	-1	248.322	BF	2.969	0	Mild	ref	BFEARM	C=C(C(=O)[O-])[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	in-vitro biogenic
C=C1C(=O)O[C@H]2C[C@@H](C)C(CCC(C)=O)=CC[C@@H]12	ZINC000014620388	52/30/50/385523050	AVFIYMSJDDGDBQ-IIMNLJJBSA-N	0	248.322	BF	2.81	0	Mild	ref	BFEBRN	C=C1C(=O)O[C@H]2C[C@@H](C)C(CCC(C)=O)=CC[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@H]2C[C@H](C)C(CCC(C)=O)=CC[C@@H]12	ZINC000014620389	02/83/58/347028358	AVFIYMSJDDGDBQ-HERUPUMHSA-N	0	248.322	BF	2.81	0	Mild	ref	BFEBRN	C=C1C(=O)O[C@H]2C[C@H](C)C(CCC(C)=O)=CC[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@@H](C)C(CCC(C)=O)=CC[C@@H]12	ZINC000014620390	65/21/76/187652176	AVFIYMSJDDGDBQ-BIGNPOOSSA-N	0	248.322	BF	2.81	0	Mild	ref	BFEARN	C=C1C(=O)O[C@@H]2C[C@@H](C)C(CCC(C)=O)=CC[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@H](C)C(CCC(C)=O)=CC[C@@H]12	ZINC000014620391	22/56/00/188225600	AVFIYMSJDDGDBQ-QCZZGDTMSA-N	0	248.322	BF	2.81	0	Mild	ref	BFEARN	C=C1C(=O)O[C@@H]2C[C@H](C)C(CCC(C)=O)=CC[C@@H]12	in-vitro biogenic
COc1cc(O)cc2c1-c1ccc(O)cc1CC2	ZINC000014651078	00/53/05/175005305	OPPGAHUCKDKQJR-UHFFFAOYSA-N	0	242.274	BF	2.872	0	Anodyne	ref	BFAARN	COc1cc(O)cc2c1-c1ccc(O)cc1CC2	in-vitro biogenic
CC1=C[C@@H]2[C@H](C(C)C)[C@@H](O)C[C@@H](C)[C@@H]2CC1=O	ZINC000014918465	12/68/04/168126804	KLDSZMWMGCWFKH-GIEZYDSUSA-N	0	236.355	BF	2.811	0	Mild	ref	BFEARN	CC1=C[C@@H]2[C@H](C(C)C)[C@@H](O)C[C@@H](C)[C@@H]2CC1=O	in-vitro biogenic
CC1(C)CCC[C@]2(C)[C@H]1CC=C(CO)[C@@H]2CO	ZINC000015147902	08/22/65/347082265	KUTDAKOPPDXZDV-YDHLFZDLSA-N	0	238.371	BF	2.75	0	Anodyne	ref	BFABRN	CC1(C)CCC[C@]2(C)[C@H]1CC=C(CO)[C@@H]2CO	in-vitro biogenic
CC1(C)CCC[C@@]2(C)[C@H]1CC=C(CO)[C@@H]2CO	ZINC000015147904	04/66/36/351046636	KUTDAKOPPDXZDV-KCQAQPDRSA-N	0	238.371	BF	2.75	0	Anodyne	ref	BFAARN	CC1(C)CCC[C@@]2(C)[C@H]1CC=C(CO)[C@@H]2CO	in-vitro biogenic
CC1(C)CCC[C@]2(C)[C@H](CO)C(CO)=CC[C@@H]12	ZINC000015147908	04/65/61/351046561	KUTDAKOPPDXZDV-VNHYZAJKSA-N	0	238.371	BF	2.75	0	Anodyne	ref	BFAARN	CC1(C)CCC[C@]2(C)[C@H](CO)C(CO)=CC[C@@H]12	in-vitro biogenic
CCCC(=O)c1c(OC)cc(O)c(CC)c1O	ZINC000015205786	47/15/26/356471526	GRQAKVFPDMDUIF-UHFFFAOYSA-N	-1	238.283	BF	2.652	3	Anodyne	high	BFAAHM	CCCC(=O)c1c(OC)cc([O-])c(CC)c1O	in-vitro biogenic
CCCC(=O)c1c(OC)cc(O)c(CC)c1O	ZINC000015205786	47/15/13/356471513	GRQAKVFPDMDUIF-UHFFFAOYSA-N	-1	238.283	BF	2.652	0	Anodyne	ref	BFAARM	CCCC(=O)c1c(OC)cc(O)c(CC)c1O	in-vitro biogenic
C=C1CCC[C@]2(C)CC[C@@H]([C@](C)(O)CO)C[C@@H]12	ZINC000015208646	06/23/25/351062325	FUUSVPZQXDAJBK-LXTVHRRPSA-N	0	238.371	BF	2.892	0	Mild	ref	BFEARN	C=C1CCC[C@]2(C)CC[C@@H]([C@](C)(O)CO)C[C@@H]12	in-vitro biogenic
C=C1CCC[C@]2(C)CC[C@@H]([C@@](C)(O)CO)C[C@@H]12	ZINC000015208649	30/91/72/187309172	FUUSVPZQXDAJBK-BARDWOONSA-N	0	238.371	BF	2.892	0	Mild	ref	BFEARN	C=C1CCC[C@]2(C)CC[C@@H]([C@@](C)(O)CO)C[C@@H]12	in-vitro biogenic
C=C1CCC[C@]2(C)CC[C@H]([C@](C)(O)CO)C[C@@H]12	ZINC000015208652	34/48/92/188344892	FUUSVPZQXDAJBK-BYNSBNAKSA-N	0	238.371	BF	2.892	0	Mild	ref	BFEARN	C=C1CCC[C@]2(C)CC[C@H]([C@](C)(O)CO)C[C@@H]12	in-vitro biogenic
C=C1CCC[C@]2(C)CC[C@H]([C@@](C)(O)CO)C[C@@H]12	ZINC000015208654	77/41/01/385774101	FUUSVPZQXDAJBK-XQLPTFJDSA-N	0	238.371	BF	2.892	0	Mild	ref	BFEARN	C=C1CCC[C@]2(C)CC[C@H]([C@@](C)(O)CO)C[C@@H]12	in-vitro biogenic
C[C@@H]1CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)C=C12	ZINC000015208685	23/51/27/176235127	YNBRPGOINKTYTG-ZSEWYUTFSA-N	0	238.371	BF	2.891	0	Anodyne	ref	BFAARN	C[C@@H]1CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)C=C12	in-vitro biogenic
CCCCCCCCC[C@@H](O)CC(=O)O	ZINC000016051927	65/11/89/168651189	MUCMKTPAZLSKTL-LLVKDONJSA-N	-1	216.321	BF	2.963	0	Mild	ref	BFEARM	CCCCCCCCC[C@@H](O)CC(=O)[O-]	in-man endogenous
C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@@H]12	ZINC000016953080	58/80/68/187588068	RBRPTFMVULVGIC-RXZXTNRSSA-N	0	246.306	BF	2.586	0	Mild	ref	BFEFRN	C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@@H]12	 
O=c1[nH]c2ccccc2c(-c2ccccc2)c1O	ZINC000017221159	05/38/84/363053884	QSRVMXWVVMILDI-UHFFFAOYSA-N	0	237.258	BF	2.901	1	Anodyne	mid	BFAAMN	O=c1[nH]c2ccccc2c(-c2ccccc2)c1O	 
O=c1[nH]c2ccccc2c(-c2ccccc2)c1O	ZINC000017221159	05/38/82/363053882	QSRVMXWVVMILDI-UHFFFAOYSA-N	-1	237.258	BF	2.901	0	Anodyne	ref	BFAARM	O=c1[nH]c2ccccc2c(-c2ccccc2)c1[O-]	 
CC(C)C1=C[C@@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1	ZINC000026832394	01/04/63/359010463	IWQURBSTAIRNAE-TUVASFSCSA-N	0	238.371	BF	2.891	0	Anodyne	ref	BFAARN	CC(C)C1=C[C@@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1	in-vitro biogenic
CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1	ZINC000026832397	01/04/66/359010466	IWQURBSTAIRNAE-BARDWOONSA-N	0	238.371	BF	2.891	0	Anodyne	ref	BFAARN	CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1	in-vitro biogenic
CC(C)C1=C[C@@H]2[C@H](CC[C@]2(C)O)[C@](C)(O)CC1	ZINC000026832400	01/04/70/359010470	IWQURBSTAIRNAE-YJNKXOJESA-N	0	238.371	BF	2.891	0	Anodyne	ref	BFAARN	CC(C)C1=C[C@@H]2[C@H](CC[C@]2(C)O)[C@](C)(O)CC1	in-vitro biogenic
CC(C)C1=C[C@H]2[C@H](CC[C@]2(C)O)[C@](C)(O)CC1	ZINC000026832404	75/55/09/166755509	IWQURBSTAIRNAE-XQLPTFJDSA-N	0	238.371	BF	2.891	0	Anodyne	ref	BFAARN	CC(C)C1=C[C@H]2[C@H](CC[C@]2(C)O)[C@](C)(O)CC1	in-vitro biogenic
CC1(C)CCC[C@]2(C)[C@@H](CO)C(CO)=CC[C@H]12	ZINC000027550897	09/00/76/369090076	KUTDAKOPPDXZDV-GZBFAFLISA-N	0	238.371	BF	2.75	0	Anodyne	ref	BFAARN	CC1(C)CCC[C@]2(C)[C@@H](CO)C(CO)=CC[C@H]12	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21	ZINC000030726283	06/02/13/188060213	KTEXNACQROZXEV-SLXBATTESA-N	0	248.322	BF	2.762	0	Mild	ref	BFEARN	C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21	investigational biogenic
C=C(CCCCCCCC(=O)O)C(=O)OC	ZINC000031154989	00/99/36/188009936	ZUNJWEGRDSXKIO-UHFFFAOYSA-N	-1	228.288	BF	2.531	0	Mild	ref	BFEARM	C=C(CCCCCCCC(=O)[O-])C(=O)OC	in-vitro biogenic
CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO	ZINC000031159935	09/21/71/168092171	CDVMOSRXPDTXBF-NJZAAPMLSA-N	0	236.355	BF	2.957	0	Mild	ref	BFEARN	CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO	in-vitro biogenic
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO	ZINC000031159938	09/25/26/168092526	CDVMOSRXPDTXBF-CORIIIEPSA-N	0	236.355	BF	2.957	0	Mild	ref	BFEARN	CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO	in-vitro biogenic
Nc1ccccc1CCCCCCC(=O)O	ZINC000031165273	02/06/39/372020639	ZFXXVVRQQNCNDM-UHFFFAOYSA-N	-1	221.3	BF	2.846	0	Anodyne	ref	BFAARM	Nc1ccccc1CCCCCCC(=O)[O-]	in-vitro biogenic
CC(=O)/C=C/C=C/CCCCCC(=O)O	ZINC000031167444	02/22/32/372022232	KFIGYZLWIRFEEQ-WJDMQLPWSA-N	-1	210.273	BF	2.723	0	Mild	ref	BFEARM	CC(=O)/C=C/C=C/CCCCCC(=O)[O-]	in-vitro biogenic
CC1(C)CCC[C@@]2(C)C=C(C(=O)O)[C@@H](O)C[C@@H]12	ZINC000031169640	91/04/08/167910408	LQZXAHKUYJVAAR-MJVIPROJSA-N	-1	238.327	BF	2.595	0	Anodyne	ref	BFABRM	CC1(C)CCC[C@@]2(C)C=C(C(=O)[O-])[C@@H](O)C[C@@H]12	in-vitro biogenic
CC1(C)CCC[C@]2(C)C=C(C(=O)O)[C@@H](O)C[C@@H]12	ZINC000031169642	91/70/92/167917092	LQZXAHKUYJVAAR-COPLHBTASA-N	-1	238.327	BF	2.595	0	Anodyne	ref	BFAARM	CC1(C)CCC[C@]2(C)C=C(C(=O)[O-])[C@@H](O)C[C@@H]12	in-vitro biogenic
CC1(C)CCC[C@]2(C)C=C(C(=O)O)[C@H](O)C[C@@H]12	ZINC000031169650	02/26/36/372022636	LQZXAHKUYJVAAR-UHIISALHSA-N	-1	238.327	BF	2.595	0	Anodyne	ref	BFAARM	CC1(C)CCC[C@]2(C)C=C(C(=O)[O-])[C@H](O)C[C@@H]12	in-vitro biogenic
C=C(C)C1=C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C	ZINC000033817464	83/28/82/187832882	MMDLQPKGJNEWIM-PSOPSSQASA-N	0	232.323	BF	2.795	0	Mild	ref	BFEARN	C=C(C)C1=C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C	in-vitro biogenic
CC1(C)CCC[C@@]2(C)[C@@H](CO)C(CO)=CC[C@H]12	ZINC000034182544	26/60/99/343266099	KUTDAKOPPDXZDV-GUTXKFCHSA-N	0	238.371	BF	2.75	0	Anodyne	ref	BFABRN	CC1(C)CCC[C@@]2(C)[C@@H](CO)C(CO)=CC[C@H]12	in-vitro biogenic
CC1(C)CCC[C@@]2(C)C=C(C(=O)O)[C@@H](O)C[C@H]12	ZINC000035271628	29/20/66/343292066	LQZXAHKUYJVAAR-WDMOLILDSA-N	-1	238.327	BF	2.595	0	Anodyne	ref	BFABRM	CC1(C)CCC[C@@]2(C)C=C(C(=O)[O-])[C@@H](O)C[C@H]12	in-vitro biogenic
CC1(C)CCC[C@]2(C)C=C(C(=O)O)[C@@H](O)C[C@H]12	ZINC000035271632	91/69/77/167916977	LQZXAHKUYJVAAR-MISXGVKJSA-N	-1	238.327	BF	2.595	0	Anodyne	ref	BFAARM	CC1(C)CCC[C@]2(C)C=C(C(=O)[O-])[C@@H](O)C[C@H]12	in-vitro biogenic
CCCCCC/C=C\C[C@H](O)CC(=O)O	ZINC000085845751	33/08/52/349330852	GZUALOWLHSCENG-TVRMLOFPSA-N	-1	214.305	BF	2.739	0	Anodyne	ref	BFABRM	CCCCCC/C=C\C[C@H](O)CC(=O)[O-]	in-vitro biogenic
CCCCCC/C=C\C[C@@H](O)CC(=O)O	ZINC000085845757	33/09/14/349330914	GZUALOWLHSCENG-SKVAFPRGSA-N	-1	214.305	BF	2.739	0	Mild	ref	BFEBRM	CCCCCC/C=C\C[C@@H](O)CC(=O)[O-]	in-vitro biogenic
COc1ccc2c3c([nH]c2c1)C(C)=NCC3	ZINC000100014157	22/34/99/175223499	RERZNCLIYCABFS-UHFFFAOYSA-N	0	214.268	BF	2.542	1	Anodyne	mid	BFAAMN	COc1ccc2c3c([nH]c2c1)C(C)=NCC3	in-man endogenous
COc1ccc2c3c([nH]c2c1)C(C)=NCC3	ZINC000100014157	22/34/98/175223498	RERZNCLIYCABFS-UHFFFAOYSA-N	1	214.268	BF	2.542	0	Anodyne	ref	BFAARO	COc1ccc2c3c([nH]c2c1)C(C)=[NH+]CC3	in-man endogenous
CCCCCCC[C@H]1OCC2=C1C(=O)OC2	ZINC000100156904	47/14/88/387471488	RZJOQWGCSRXCLA-LLVKDONJSA-N	0	224.3	BF	2.599	0	Mild	ref	BFEARN	CCCCCCC[C@H]1OCC2=C1C(=O)OC2	in-vitro biogenic
CCCCCCC[C@@H]1OCC2=C1C(=O)OC2	ZINC000100156905	47/19/28/387471928	RZJOQWGCSRXCLA-NSHDSACASA-N	0	224.3	BF	2.599	0	Mild	ref	BFEARN	CCCCCCC[C@@H]1OCC2=C1C(=O)OC2	in-vitro biogenic
Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@@H]1O[C@@]1(C)C2	ZINC000100780877	47/28/84/387472884	FNQFNSGVMLMZNV-XQLPTFJDSA-N	0	248.322	BF	2.782	0	Mild	ref	BFEARN	Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@@H]1O[C@@]1(C)C2	in-man endogenous
Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@H]1O[C@@]1(C)C2	ZINC000103076654	47/31/56/387473156	FNQFNSGVMLMZNV-BARDWOONSA-N	0	248.322	BF	2.782	0	Anodyne	ref	BFAARN	Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@H]1O[C@@]1(C)C2	in-man endogenous
CCCCCC[C@@H](CCC(=O)O)C(=O)O	ZINC000164036978	51/57/00/259515700	MZSHZQAODGHFPQ-VIFPVBQESA-N	-2	216.277	BF	2.522	0	Anodyne	ref	BFAARL	CCCCCC[C@@H](CCC(=O)[O-])C(=O)[O-]	in-vitro biogenic
CCCCCC[C@H](CCC(=O)O)C(=O)O	ZINC000164037097	58/76/19/384587619	MZSHZQAODGHFPQ-SECBINFHSA-N	-2	216.277	BF	2.522	0	Anodyne	ref	BFAARL	CCCCCC[C@H](CCC(=O)[O-])C(=O)[O-]	in-vitro biogenic