COc1ccc2ccc(=O)oc2c1CC=C(C)C	ZINC000000000566	22/60/81/175226081	MBRLOUHOWLUMFF-UHFFFAOYSA-N	0	244.29	BG	3.31	0	Anodyne	ref	BGAARN	COc1ccc2ccc(=O)oc2c1CC=C(C)C	in-vitro biogenic
O=C(OCc1ccccc1)c1ccccc1	ZINC000000001021	60/50/59/182605059	SESFRYSPDFLNCH-UHFFFAOYSA-N	0	212.248	BG	3.044	0	Anodyne	ref	BGAARN	O=C(OCc1ccccc1)c1ccccc1	world biogenic aggregator
O=c1cc(-c2ccccc2)oc2ccccc12	ZINC000000057674	99/17/22/182991722	VHBFFQKBGNRLFZ-UHFFFAOYSA-N	0	222.243	BG	3.46	0	Anodyne	ref	BGAARN	O=c1cc(-c2ccccc2)oc2ccccc12	in-man metabolite
O=c1c(O)c(-c2ccccc2)oc2ccccc12	ZINC000000057675	67/21/03/342672103	HVQAJTFOCKOKIN-UHFFFAOYSA-N	0	238.242	BG	3.166	0	Anodyne	ref	BGAARN	O=c1c(O)c(-c2ccccc2)oc2ccccc12	in-man endogenous
O=c1cc(-c2ccccc2)oc2cccc(O)c12	ZINC000000057676	67/20/87/342672087	IYBLVRRCNVHZQJ-UHFFFAOYSA-N	-1	238.242	BG	3.166	3	Anodyne	high	BGAAHM	O=c1cc(-c2ccccc2)oc2cccc([O-])c12	biogenic in-vivo
O=c1cc(-c2ccccc2)oc2cccc(O)c12	ZINC000000057676	67/20/86/342672086	IYBLVRRCNVHZQJ-UHFFFAOYSA-N	0	238.242	BG	3.166	2	Anodyne	low	BGAALN	O=c1cc(-c2ccccc2)oc2cccc(O)c12	biogenic in-vivo
O=c1cc(-c2ccccc2)oc2cccc(O)c12	ZINC000000057676	67/20/85/342672085	IYBLVRRCNVHZQJ-UHFFFAOYSA-N	-1	238.242	BG	3.166	1	Anodyne	mid	BGAAMM	O=c1cccc2oc(-c3ccccc3)cc([O-])c1-2	biogenic in-vivo
O=c1cc(-c2ccccc2)oc2cccc(O)c12	ZINC000000057676	67/20/84/342672084	IYBLVRRCNVHZQJ-UHFFFAOYSA-N	0	238.242	BG	3.166	0	Anodyne	ref	BGAARN	O=c1cccc2oc(-c3ccccc3)cc(O)c1-2	biogenic in-vivo
O=c1cc(-c2ccccc2)oc2ccc(O)cc12	ZINC000000057677	67/21/34/342672134	GPZYYYGYCRFPBU-UHFFFAOYSA-N	0	238.242	BG	3.166	0	Anodyne	ref	BGAARN	O=c1cc(-c2ccccc2)oc2ccc(O)cc12	in-vitro biogenic
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1	ZINC000000265490	08/97/22/168089722	XYYAFLHHHZVPRN-GXTWGEPZSA-N	0	232.279	BG	3.384	0	Anodyne	ref	BGAARN	CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1	in-vitro biogenic
CC(=O)c1ccc(O)c(CC=C(C)C)c1	ZINC000000338221	57/26/76/388572676	QJAPFSSVKIZTMR-UHFFFAOYSA-N	-1	204.269	BG	3.104	1	Anodyne	mid	BGAAMM	CC(=O)c1ccc([O-])c(CC=C(C)C)c1	in-man endogenous
CC(=O)c1ccc(O)c(CC=C(C)C)c1	ZINC000000338221	57/26/71/388572671	QJAPFSSVKIZTMR-UHFFFAOYSA-N	0	204.269	BG	3.104	0	Anodyne	ref	BGAARN	CC(=O)c1ccc(O)c(CC=C(C)C)c1	in-man endogenous
COc1cc2c(cc1C(C)=O)C=CC(C)(C)O2	ZINC000000897924	02/16/19/175021619	WXVLCNREBFDEKS-UHFFFAOYSA-N	0	232.279	BG	3.082	0	Anodyne	ref	BGAARN	COc1cc2c(cc1C(C)=O)C=CC(C)(C)O2	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1CCC(=C)[C@H]21	ZINC000000898477	22/56/13/188225613	NETSQGRTUNRXEO-XUXIUFHCSA-N	0	230.307	BG	3.017	0	Mild	ref	BGEARN	C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1CCC(=C)[C@H]21	in-vitro biogenic
CC(C)=CCc1c(O)ccc2ccc(=O)oc12	ZINC000001618130	57/30/11/388573011	RAKJVIPCCGXHHS-UHFFFAOYSA-N	-1	230.263	BG	3.007	1	Anodyne	mid	BGAAMM	CC(C)=CCc1c([O-])ccc2ccc(=O)oc12	in-man endogenous
CC(C)=CCc1c(O)ccc2ccc(=O)oc12	ZINC000001618130	57/30/10/388573010	RAKJVIPCCGXHHS-UHFFFAOYSA-N	0	230.263	BG	3.007	0	Anodyne	ref	BGAARN	CC(C)=CCc1c(O)ccc2ccc(=O)oc12	in-man endogenous
COc1cc2oc(=O)ccc2cc1CC=C(C)C	ZINC000001664037	02/94/69/175029469	RSZDAYHEZSRVHS-UHFFFAOYSA-N	0	244.29	BG	3.31	0	Anodyne	ref	BGAARN	COc1cc2oc(=O)ccc2cc1CC=C(C)C	in-vitro biogenic
N#C[C@@H](OC(=O)c1ccccc1)c1ccccc1	ZINC000001710965	05/70/11/181057011	AXAACNNFMJZAGJ-CQSZACIVSA-N	0	237.258	BG	3.108	0	Mild	ref	BGEARN	N#C[C@@H](OC(=O)c1ccccc1)c1ccccc1	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12	ZINC000003881905	78/08/78/386780878	PXOYOCNNSUAQNS-AGNJHWRGSA-N	0	232.323	BG	3.241	0	Mild	ref	BGEARN	C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12	in-vitro biogenic
C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O	ZINC000005132802	22/12/86/349221286	RKKPUBAAIGFXOG-YTXTXJHMSA-N	-1	232.279	BG	3.03	3	Mild	high	BGEAHM	C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1[O-]	in-vitro biogenic
C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O	ZINC000005132802	22/12/74/349221274	RKKPUBAAIGFXOG-YTXTXJHMSA-N	0	232.279	BG	3.03	0	Mild	ref	BGEARN	C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O	in-vitro biogenic
C=C1[C@H]2CC[C@H](C(=O)O)[C@@]23CC[C@H](C3)C1(C)C	ZINC000005455616	23/22/52/346232252	IJGMVUXEZUEDJR-RTWAVKEYSA-N	-1	234.339	BG	3.48	0	Mild	ref	BGEARM	C=C1[C@H]2CC[C@H](C(=O)[O-])[C@@]23CC[C@H](C3)C1(C)C	in-vitro biogenic
O=c1cc(-c2ccccc2)oc2cc(O)ccc12	ZINC000005934541	77/19/09/342771909	MQGPSCMMNJKMHQ-UHFFFAOYSA-N	0	238.242	BG	3.166	2	Anodyne	low	BGAALN	O=c1cc(-c2ccccc2)oc2cc(O)ccc12	biogenic in-vivo
O=c1cc(-c2ccccc2)oc2cc(O)ccc12	ZINC000005934541	77/19/07/342771907	MQGPSCMMNJKMHQ-UHFFFAOYSA-N	-1	238.242	BG	3.166	0	Anodyne	ref	BGAARM	O=c1cc(-c2ccccc2)oc2cc([O-])ccc12	biogenic in-vivo
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1	ZINC000006067600	10/31/52/188103152	LKKDASYGWYYFIK-QHSBEEBCSA-N	0	240.387	BG	3.115	0	Anodyne	ref	BGAARN	CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1	in-vitro biogenic
Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1	ZINC000006092566	26/08/09/183260809	LHPRYOJTASOZGJ-UHFFFAOYSA-N	0	242.23	BG	3.217	0	Anodyne	ref	BGAARN	Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1	in-man endogenous
N#C[C@H](OC(=O)c1ccccc1)c1ccccc1	ZINC000006116362	06/69/33/181066933	AXAACNNFMJZAGJ-AWEZNQCLSA-N	0	237.258	BG	3.108	0	Mild	ref	BGEARN	N#C[C@H](OC(=O)c1ccccc1)c1ccccc1	in-vitro biogenic
CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1	ZINC000008242537	53/20/12/372532012	LKKDASYGWYYFIK-RJZRQDKASA-N	0	240.387	BG	3.115	0	Anodyne	ref	BGAARN	CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1	in-vitro biogenic
CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@@H]2C1	ZINC000008242570	51/50/01/188515001	LKKDASYGWYYFIK-UXOAXIEHSA-N	0	240.387	BG	3.115	0	Anodyne	ref	BGAARN	CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@@H]2C1	in-vitro biogenic
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2C1	ZINC000008299127	29/62/34/346296234	LKKDASYGWYYFIK-GBOPCIDUSA-N	0	240.387	BG	3.115	0	Anodyne	ref	BGABRN	CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2C1	in-vitro biogenic
CC(C)=CCc1cc2ccc(=O)oc2cc1O	ZINC000012153561	54/09/34/385540934	FIDUIAPDSKSUGO-UHFFFAOYSA-N	-1	230.263	BG	3.007	1	Anodyne	mid	BGAAMM	CC(C)=CCc1cc2ccc(=O)oc2cc1[O-]	in-vitro biogenic
CC(C)=CCc1cc2ccc(=O)oc2cc1O	ZINC000012153561	54/09/23/385540923	FIDUIAPDSKSUGO-UHFFFAOYSA-N	0	230.263	BG	3.007	0	Anodyne	ref	BGAARN	CC(C)=CCc1cc2ccc(=O)oc2cc1O	in-vitro biogenic
O=C(/C=C/c1ccccc1)c1ccccc1O	ZINC000012359992	31/37/69/384313769	AETKQQBRKSELEL-ZHACJKMWSA-N	0	224.259	BG	3.288	1	Mild	mid	BGEAMN	O=C(/C=C/c1ccccc1)c1ccccc1O	biogenic in-vivo
O=C(/C=C/c1ccccc1)c1ccccc1O	ZINC000012359992	31/37/63/384313763	AETKQQBRKSELEL-ZHACJKMWSA-N	-1	224.259	BG	3.288	0	Mild	ref	BGEARM	O=C(/C=C/c1ccccc1)c1ccccc1[O-]	biogenic in-vivo
COc1cc(O)cc(/C=C/c2cccc(O)c2)c1	ZINC000013340923	00/54/92/175005492	VANIIUGEHGLNHB-AATRIKPKSA-N	0	242.274	BG	3.277	0	Anodyne	ref	BGAARN	COc1cc(O)cc(/C=C/c2cccc(O)c2)c1	in-vitro biogenic
CC(C)=CCC[C@H](C)[C@@H]1C=C[C@](C)(O)[C@@H](O)C1	ZINC000013377210	41/32/28/574413228	YRFJMOGROZTYPC-XGUBFFRZSA-N	0	238.371	BG	3.057	0	Anodyne	ref	BGABRN	CC(C)=CCC[C@H](C)[C@@H]1C=C[C@](C)(O)[C@@H](O)C1	in-man endogenous
C/C1=C\CCC2=C[C@@H](OC2=O)c2c(C)coc2C1	ZINC000013532008	16/60/72/188166072	LWCKQMHMTSRRAA-QGQQYVBWSA-N	0	244.29	BG	3.395	0	Anodyne	ref	BGAARN	C/C1=C\CCC2=C[C@@H](OC2=O)c2c(C)coc2C1	in-vitro biogenic
C/C(=C\CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O	ZINC000013660029	12/64/86/191126486	NZSCHTYUGUVLHG-CAWWRDLBSA-N	-1	234.339	BG	3.48	0	Anodyne	ref	BGAARM	C/C(=C\CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)[O-]	in-vitro biogenic
C/C(=C\CC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O	ZINC000013660031	58/39/62/384583962	NZSCHTYUGUVLHG-YZHDLEJUSA-N	-1	234.339	BG	3.48	0	Anodyne	ref	BGAARM	C/C(=C\CC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)[O-]	in-vitro biogenic
CCCCC/C=C/C=C/C(=O)NCC(C)C	ZINC000013838505	37/63/40/384376340	MAGQQZHFHJDIRE-BNFZFUHLSA-N	0	223.36	BG	3.451	0	Anodyne	ref	BGAARN	CCCCC/C=C/C=C/C(=O)NCC(C)C	biogenic in-vivo
Clc1ncoc1-c1c[nH]c2ccccc12	ZINC000014618924	85/33/27/344853327	BKYJGKRXUHPPLR-UHFFFAOYSA-N	0	218.643	BG	3.476	0	Anodyne	ref	BGAARN	Clc1ncoc1-c1c[nH]c2ccccc12	in-vitro biogenic
Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1	ZINC000014780017	19/97/97/178199797	SCUIHYCLCWYXKC-UHFFFAOYSA-N	0	246.262	BG	3.213	0	Clean	ref	BGCARN	Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1	in-vitro biogenic
CC(C)=CCC[C@H](C)[C@@H]1C=C[C@](C)(O)[C@H](O)C1	ZINC000014859826	34/95/07/347349507	YRFJMOGROZTYPC-YJNKXOJESA-N	0	238.371	BG	3.057	0	Anodyne	ref	BGABRN	CC(C)=CCC[C@H](C)[C@@H]1C=C[C@](C)(O)[C@H](O)C1	in-man endogenous
CC(C)=CCC[C@H](C)[C@H]1C[C@@H](O)C(C)=C[C@@H]1O	ZINC000014859832	79/40/33/342794033	FPSDOHYYKFXKFR-MYPMTAMASA-N	0	238.371	BG	3.057	0	Anodyne	ref	BGAARN	CC(C)=CCC[C@H](C)[C@H]1C[C@@H](O)C(C)=C[C@@H]1O	in-man endogenous
COC(=O)/C=C/c1ccc2c(c1)C=CC(C)(C)O2	ZINC000015119500	69/80/52/385698052	AOZKTJDXDYSFAE-FNORWQNLSA-N	0	244.29	BG	3.057	0	Anodyne	ref	BGAARN	COC(=O)/C=C/c1ccc2c(c1)C=CC(C)(C)O2	in-vitro biogenic
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@H]12	ZINC000015207327	65/37/52/187653752	OQYBLUDOOFOBPO-VNHYZAJKSA-N	0	232.323	BG	3.385	0	Mild	ref	BGEARN	C=C1CCC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@H]12	in-vitro biogenic
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	ZINC000015207329	17/73/48/188177348	OQYBLUDOOFOBPO-KCQAQPDRSA-N	0	232.323	BG	3.385	0	Mild	ref	BGEARN	C=C1CCC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	in-vitro biogenic
COc1ccc2c(c1)[nH]c1c(C)nccc12	ZINC000018847046	21/78/74/175217874	BXNJHAXVSOCGBA-UHFFFAOYSA-N	1	212.252	BG	3.033	2	Anodyne	low	BGAALO	COc1ccc2c(c1)[nH]c1c(C)[nH+]ccc12	in-man aggregator endogenous
COc1ccc2c(c1)[nH]c1c(C)nccc12	ZINC000018847046	21/78/68/175217868	BXNJHAXVSOCGBA-UHFFFAOYSA-N	0	212.252	BG	3.033	0	Anodyne	ref	BGAARN	COc1ccc2c(c1)[nH]c1c(C)nccc12	in-man aggregator endogenous
CC1(C)CCC[C@]2(C)[C@@H](CO)[C@H]3CC[C@@H]2[C@H]31	ZINC000028645580	91/72/49/167917249	VZJHQHUOVIDRCF-BIGJJFBESA-N	0	222.372	BG	3.467	0	Anodyne	ref	BGABRN	CC1(C)CCC[C@]2(C)[C@@H](CO)[C@H]3CC[C@@H]2[C@H]31	biogenic in-vivo
C=CCCCCCC[C@H](CCC(=O)O)C(=O)O	ZINC000031163538	51/55/04/259515504	VQHQSUSDPCTSEX-LLVKDONJSA-N	-2	242.315	BG	3.079	0	Mild	ref	BGEARL	C=CCCCCCC[C@H](CCC(=O)[O-])C(=O)[O-]	in-vitro biogenic
C=CCCCCCC[C@@H](CCC(=O)O)C(=O)O	ZINC000031163542	51/55/01/259515501	VQHQSUSDPCTSEX-NSHDSACASA-N	-2	242.315	BG	3.079	0	Mild	ref	BGEARL	C=CCCCCCC[C@@H](CCC(=O)[O-])C(=O)[O-]	in-vitro biogenic
CC(C)CNC(=O)/C=C/C=C/Cc1cccs1	ZINC000031165717	02/23/30/372022330	KNGBXFMEGLRFHV-PRKJJMSOSA-N	0	249.379	BG	3.175	0	Anodyne	ref	BGAARN	CC(C)CNC(=O)/C=C/C=C/Cc1cccs1	in-vitro biogenic
C/C(=C\CC[C@@](C)(O)c1ccc(C)cc1)C(=O)O	ZINC000031166636	02/24/02/372022402	JPYPXCYONUJEGT-FDYAIDJWSA-N	-1	248.322	BG	3.014	0	Anodyne	ref	BGAARM	C/C(=C\CC[C@@](C)(O)c1ccc(C)cc1)C(=O)[O-]	in-vitro biogenic
C/C(=C\CC[C@](C)(O)c1ccc(C)cc1)C(=O)O	ZINC000031166640	38/25/25/388382525	JPYPXCYONUJEGT-LYOQKUPSSA-N	-1	248.322	BG	3.014	0	Anodyne	ref	BGAARM	C/C(=C\CC[C@](C)(O)c1ccc(C)cc1)C(=O)[O-]	in-vitro biogenic
CC1=CC(=O)CC(C)(C)[C@@H]1CC/C(C)=C/CO	ZINC000031167208	43/70/07/518437007	COCUNEQOWXLCIK-DPQIITEBSA-N	0	236.355	BG	3.267	0	Mild	ref	BGEARN	CC1=CC(=O)CC(C)(C)[C@@H]1CC/C(C)=C/CO	in-vitro biogenic
CC1=CC(=O)CC(C)(C)[C@H]1CC/C(C)=C/CO	ZINC000031167213	43/85/14/518438514	COCUNEQOWXLCIK-OIOXUXFSSA-N	0	236.355	BG	3.267	0	Mild	ref	BGEARN	CC1=CC(=O)CC(C)(C)[C@H]1CC/C(C)=C/CO	in-vitro biogenic
C=C1CCC[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@H]12	ZINC000033833545	35/90/51/188359051	OQYBLUDOOFOBPO-UMVBOHGHSA-N	0	232.323	BG	3.385	0	Mild	ref	BGEARN	C=C1CCC[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@H]12	in-vitro biogenic
C=C1CCC[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12	ZINC000033833546	35/92/17/188359217	OQYBLUDOOFOBPO-GZBFAFLISA-N	0	232.323	BG	3.385	0	Mild	ref	BGEARN	C=C1CCC[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12	in-vitro biogenic
CCCCc1c(CC=C(C)C)[nH]c(=O)c(C)c1O	ZINC000035458025	24/91/35/357249135	VZBUSXXYCPQEIC-UHFFFAOYSA-N	0	249.354	BG	3.24	0	Anodyne	ref	BGAARN	CCCCc1c(CC=C(C)C)[nH]c(=O)c(C)c1O	in-vitro biogenic
C[C@@H]1CC[C@H]2C(C(=O)O)=C[C@H]3CC(C)(C)C[C@]132	ZINC000035465258	23/75/25/176237525	DCFDRCCHOOORSB-YOLKCXPHSA-N	-1	234.339	BG	3.48	0	Anodyne	ref	BGABRM	C[C@@H]1CC[C@H]2C(C(=O)[O-])=C[C@H]3CC(C)(C)C[C@]132	in-vitro biogenic
C[C@H]1CC[C@H]2C(C(=O)O)=C[C@H]3CC(C)(C)C[C@]132	ZINC000035465262	20/76/58/177207658	DCFDRCCHOOORSB-OUCVZQCGSA-N	-1	234.339	BG	3.48	0	Anodyne	ref	BGABRM	C[C@H]1CC[C@H]2C(C(=O)[O-])=C[C@H]3CC(C)(C)C[C@]132	in-vitro biogenic
C[C@@H]1CC[C@@H]2C(C(=O)O)=C[C@H]3CC(C)(C)C[C@]213	ZINC000035465265	21/76/80/176217680	DCFDRCCHOOORSB-HMDURAKOSA-N	-1	234.339	BG	3.48	0	Anodyne	ref	BGAARM	C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@H]3CC(C)(C)C[C@]213	in-vitro biogenic
C[C@H]1CC[C@@H]2C(C(=O)O)=C[C@H]3CC(C)(C)C[C@@]123	ZINC000035465268	19/55/90/177195590	DCFDRCCHOOORSB-JOXOIDLHSA-N	-1	234.339	BG	3.48	0	Anodyne	ref	BGABRM	C[C@H]1CC[C@@H]2C(C(=O)[O-])=C[C@H]3CC(C)(C)C[C@@]123	biogenic in-vivo
CC1(C)CCC[C@@]2(C)C(C(=O)O)=CC[C@H]12	ZINC000049601546	07/66/67/358076667	ACQRUPZAAPLQQP-MFKMUULPSA-N	-1	208.301	BG	3.234	0	Anodyne	ref	BGAARM	CC1(C)CCC[C@@]2(C)C(C(=O)[O-])=CC[C@H]12	in-vitro biogenic
CC1(C)CCC[C@]2(C)C(C(=O)O)=CC[C@H]12	ZINC000049601549	07/63/56/358076356	ACQRUPZAAPLQQP-ZWNOBZJWSA-N	-1	208.301	BG	3.234	0	Anodyne	ref	BGAARM	CC1(C)CCC[C@]2(C)C(C(=O)[O-])=CC[C@H]12	in-vitro biogenic
CC1(C)CCC[C@@]2(C)C(C(=O)O)=CC[C@@H]12	ZINC000049601550	07/63/92/358076392	ACQRUPZAAPLQQP-GWCFXTLKSA-N	-1	208.301	BG	3.234	0	Anodyne	ref	BGAARM	CC1(C)CCC[C@@]2(C)C(C(=O)[O-])=CC[C@@H]12	in-vitro biogenic
CC1(C)CCC[C@]2(C)C(C(=O)O)=CC[C@@H]12	ZINC000049601552	07/66/34/358076634	ACQRUPZAAPLQQP-GXFFZTMASA-N	-1	208.301	BG	3.234	0	Anodyne	ref	BGAARM	CC1(C)CCC[C@]2(C)C(C(=O)[O-])=CC[C@@H]12	in-vitro biogenic
CCCCCCCC/C(=C/CC(=O)O)C(=O)O	ZINC000072320176	64/85/17/168648517	NIXDINZDFZJZHG-LUAWRHEFSA-N	-2	242.315	BG	3.223	0	Mild	ref	BGEARL	CCCCCCCC/C(=C/CC(=O)[O-])C(=O)[O-]	in-vitro biogenic
CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1	ZINC000098214446	60/69/34/384606934	LKKDASYGWYYFIK-DHMWGJHJSA-N	0	240.387	BG	3.115	0	Anodyne	ref	BGAARN	CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1	in-vitro biogenic
CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C	ZINC000100059784	11/71/55/191117155	TVDMUSYVWJLIDK-PSOPSSQASA-N	0	234.339	BG	3.019	0	Mild	ref	BGEARN	CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C	in-vitro biogenic
C[C@@H]1CC[C@@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@@]321	ZINC000104888578	21/76/37/176217637	DCFDRCCHOOORSB-NDLNZWKESA-N	-1	234.339	BG	3.48	0	Anodyne	ref	BGAARM	C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@@]321	in-vitro biogenic
C[C@@H]1CC[C@@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@]321	ZINC000230017400	21/79/87/176217987	DCFDRCCHOOORSB-NOBRSGAKSA-N	-1	234.339	BG	3.48	0	Anodyne	ref	BGAARM	C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]321	in-vitro biogenic
CC(C)=CCC[C@H](C)[C@@H]1C=C[C@@](C)(O)[C@@H](O)C1	ZINC000230070585	81/69/73/322816973	YRFJMOGROZTYPC-LJISPDSOSA-N	0	238.371	BG	3.057	0	Anodyne	ref	BGABRN	CC(C)=CCC[C@H](C)[C@@H]1C=C[C@@](C)(O)[C@@H](O)C1	in-man endogenous
CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@H]2C1	ZINC000238741036	25/53/22/388255322	LKKDASYGWYYFIK-PAPYEOQZSA-N	0	240.387	BG	3.115	0	Anodyne	ref	BGAARN	CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@H]2C1	in-vitro biogenic
CC(C)=CCC[C@H](C)[C@@H]1C=C[C@@](C)(O)[C@H](O)C1	ZINC000257705866	71/16/53/262711653	YRFJMOGROZTYPC-GBJTYRQASA-N	0	238.371	BG	3.057	0	Anodyne	ref	BGABRN	CC(C)=CCC[C@H](C)[C@@H]1C=C[C@@](C)(O)[C@H](O)C1	in-man endogenous
C=C1C=C[C@H]([C@H](C)CC(=O)C=C(C)C)C[C@@H]1O	ZINC000514288121	40/43/85/384404385	PMJSCQFALQJUCS-IPYPFGDCSA-N	0	234.339	BG	3.041	0	Mild	ref	BGEARN	C=C1C=C[C@H]([C@H](C)CC(=O)C=C(C)C)C[C@@H]1O	in-vitro biogenic
C=C1C=C[C@H]([C@@H](C)CC(=O)C=C(C)C)C[C@H]1O	ZINC000514288122	40/31/79/384403179	PMJSCQFALQJUCS-KCQAQPDRSA-N	0	234.339	BG	3.041	0	Mild	ref	BGEARN	C=C1C=C[C@H]([C@@H](C)CC(=O)C=C(C)C)C[C@H]1O	in-vitro biogenic
C=C1C=C[C@H]([C@H](C)CC(=O)C=C(C)C)C[C@H]1O	ZINC000514288123	40/30/95/384403095	PMJSCQFALQJUCS-VNHYZAJKSA-N	0	234.339	BG	3.041	0	Mild	ref	BGEARN	C=C1C=C[C@H]([C@H](C)CC(=O)C=C(C)C)C[C@H]1O	in-vitro biogenic
C=C1C=C[C@H]([C@@H](C)CC(=O)C=C(C)C)C[C@@H]1O	ZINC000514288124	40/34/07/384403407	PMJSCQFALQJUCS-YDHLFZDLSA-N	0	234.339	BG	3.041	0	Mild	ref	BGEARN	C=C1C=C[C@H]([C@@H](C)CC(=O)C=C(C)C)C[C@@H]1O	in-vitro biogenic