OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000000899166	16/66/42/120166642	HSTZMXCBWJGKHG-FSONJKCJSA-N	-1	390.388	GC	0.447	3	Anodyne	high	GCAAHM	[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1	in-vitro biogenic
OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000000899166	16/66/39/120166639	HSTZMXCBWJGKHG-FSONJKCJSA-N	-1	390.388	GC	0.447	0	Anodyne	ref	GCAARM	OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000003881959	12/35/10/560123510	HSTZMXCBWJGKHG-DPCQDSBSSA-N	-1	390.388	GC	0.447	3	Anodyne	high	GCAAHM	[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1	in-vitro biogenic
OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000003881959	12/35/08/560123508	HSTZMXCBWJGKHG-DPCQDSBSSA-N	-1	390.388	GC	0.447	0	Anodyne	ref	GCAARM	OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	in-vitro biogenic
OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000003881960	12/34/57/560123457	HSTZMXCBWJGKHG-ZMSCKBSRSA-N	-1	390.388	GC	0.447	3	Anodyne	high	GCAAHM	[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1	in-vitro biogenic
OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000003881960	12/34/55/560123455	HSTZMXCBWJGKHG-ZMSCKBSRSA-N	-1	390.388	GC	0.447	0	Anodyne	ref	GCAARM	OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	in-vitro biogenic
OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000003881961	12/34/81/560123481	HSTZMXCBWJGKHG-HPYOEDFTSA-N	-1	390.388	GC	0.447	3	Anodyne	high	GCAAHM	[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1	in-vitro biogenic
OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000003881961	12/34/79/560123479	HSTZMXCBWJGKHG-HPYOEDFTSA-N	-1	390.388	GC	0.447	0	Anodyne	ref	GCAARM	OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O	in-vitro biogenic
OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000003881962	12/34/66/560123466	HSTZMXCBWJGKHG-GZBBIFHGSA-N	-1	390.388	GC	0.447	3	Anodyne	high	GCAAHM	[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1	in-vitro biogenic
OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000003881962	12/34/64/560123464	HSTZMXCBWJGKHG-GZBBIFHGSA-N	-1	390.388	GC	0.447	0	Anodyne	ref	GCAARM	OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O	in-vitro biogenic
C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@@H](O)[C@H](C(=C)C(=O)OC)[C@@H](OC(=O)C(=C)CO)C2	ZINC000004098206	13/69/92/209136992	FZALQGCQQJLGKE-BBNZOYGDSA-N	0	392.404	GC	0.458	0	Mild	ref	GCEARN	C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@@H](O)[C@H](C(=C)C(=O)OC)[C@@H](OC(=O)C(=C)CO)C2	in-vitro biogenic
O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1	ZINC000004098879	19/62/24/560196224	HHSKNLJWHGXWPK-BFMVXSJESA-N	0	390.388	GC	0.222	0	Anodyne	ref	GCAARN	O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1	in-vitro biogenic
C=C[C@@]12COC(=O)C(=C)[C@H]1[C@@H](O)[C@H](C(=C)C(=O)OC)[C@@H](OC(=O)C(=C)CO)C2	ZINC000014828379	30/03/22/519300322	FZALQGCQQJLGKE-HZMTTXTESA-N	0	392.404	GC	0.458	0	Mild	ref	GCEARN	C=C[C@@]12COC(=O)C(=C)[C@H]1[C@@H](O)[C@H](C(=C)C(=O)OC)[C@@H](OC(=O)C(=C)CO)C2	in-vitro biogenic
O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1	ZINC000014855620	31/74/21/221317421	FTFZXPBVBBJTHV-OGJJZOIMSA-N	-1	392.36	GC	0.141	3	Anodyne	high	GCAAHM	O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc([O-])cc1	in-vitro biogenic
O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1	ZINC000014855620	31/74/15/221317415	FTFZXPBVBBJTHV-OGJJZOIMSA-N	0	392.36	GC	0.141	0	Anodyne	ref	GCAARN	O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1	in-vitro biogenic
CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	ZINC000027642636	09/08/10/560090810	TVZHDVCTOCZDNE-LVJXWLTRSA-N	0	382.409	GC	0.096	0	Anodyne	ref	GCAARN	CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	in-vitro biogenic
CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	ZINC000027642641	32/89/32/207328932	TVZHDVCTOCZDNE-WVJYZQHISA-N	0	382.409	GC	0.096	0	Anodyne	ref	GCAARN	CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	in-vitro biogenic
CC(=O)c1c(C)cc2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031155594	08/43/23/206084323	DNABNTQMDXKPON-ZIIYPAMZSA-N	-1	378.377	GC	0.235	3	Anodyne	high	GCAAHM	CC(=O)c1c(C)cc2cccc([O-])c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC(=O)c1c(C)cc2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031155594	08/43/20/206084320	DNABNTQMDXKPON-ZIIYPAMZSA-N	0	378.377	GC	0.235	0	Anodyne	ref	GCAARN	CC(=O)c1c(C)cc2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)CCCNC1=O	ZINC000031160860	70/81/41/221708141	QWWUZAJFCIZIIQ-QLFBSQMISA-N	0	383.489	GC	0.89	0	Anodyne	ref	GCAARN	CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)CCCNC1=O	in-vitro biogenic
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)CCCNC1=O	ZINC000031160867	70/76/30/221707630	QWWUZAJFCIZIIQ-SOUVJXGZSA-N	0	383.489	GC	0.89	0	Anodyne	ref	GCAARN	CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)CCCNC1=O	in-vitro biogenic
C=C[C@@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)O)[C@H](O)[C@@H]1C(=C)CO	ZINC000035271742	78/79/50/203787950	IMMCRIJMXKHWHH-VRCAPQLRSA-N	-1	396.436	GC	0.186	0	Mild	ref	GCEBRM	C=C[C@@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)[O-])[C@H](O)[C@@H]1C(=C)CO	in-vitro biogenic
C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)O)[C@H](O)[C@@H]1C(=C)CO	ZINC000035271744	60/37/81/209603781	IMMCRIJMXKHWHH-KAPKYQHQSA-N	-1	396.436	GC	0.186	0	Mild	ref	GCEARM	C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)[O-])[C@H](O)[C@@H]1C(=C)CO	in-vitro biogenic
C=C[C@@]1(C)C[C@@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)O)[C@H](O)[C@@H]1C(=C)CO	ZINC000035271747	25/71/05/206257105	IMMCRIJMXKHWHH-QJUXXTNESA-N	-1	396.436	GC	0.186	0	Mild	ref	GCEBRM	C=C[C@@]1(C)C[C@@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)[O-])[C@H](O)[C@@H]1C(=C)CO	in-vitro biogenic
C=C[C@]1(C)C[C@@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)O)[C@H](O)[C@@H]1C(=C)CO	ZINC000035271750	18/15/88/209181588	IMMCRIJMXKHWHH-XILPYWAXSA-N	-1	396.436	GC	0.186	0	Mild	ref	GCEBRM	C=C[C@]1(C)C[C@@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)[O-])[C@H](O)[C@@H]1C(=C)CO	in-vitro biogenic
C[C@@H]1CC[C@]23CC[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C(C=O)=CC3(C)C	ZINC000035455677	08/12/42/560081242	CPNJZUTZDMXCTF-WRAVTXEPSA-N	0	396.48	GC	0.533	0	Reactive	ref	GCGBRN	C[C@@H]1CC[C@]23CC[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C(C=O)=CC3(C)C	in-vitro biogenic
C[C@H]1CC[C@]23CC[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C(C=O)=CC3(C)C	ZINC000035455680	08/12/49/560081249	CPNJZUTZDMXCTF-GQAMWOJYSA-N	0	396.48	GC	0.533	0	Reactive	ref	GCGBRN	C[C@H]1CC[C@]23CC[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C(C=O)=CC3(C)C	in-vitro biogenic
CC(C)CCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@H]12	ZINC000035457081	08/17/23/560081723	RQVIOHJGPCAFPM-AGHFMXFDSA-N	-1	390.429	GC	0.309	0	Anodyne	ref	GCABRM	CC(C)CCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)[O-])CO[C@H]12	in-vitro biogenic
CC(C)CCCCC(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@H]12	ZINC000035457085	08/17/42/560081742	RQVIOHJGPCAFPM-OANIWJOYSA-N	-1	390.429	GC	0.309	0	Anodyne	ref	GCABRM	CC(C)CCCCC(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)[O-])CO[C@H]12	in-vitro biogenic
CC(C)CCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@@H]12	ZINC000035457089	08/17/15/560081715	RQVIOHJGPCAFPM-HADXRLKASA-N	-1	390.429	GC	0.309	0	Anodyne	ref	GCABRM	CC(C)CCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)[O-])CO[C@@H]12	in-vitro biogenic
CC(C)CCCCC(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@@H]12	ZINC000035457092	08/17/11/560081711	RQVIOHJGPCAFPM-FKGAOXPZSA-N	-1	390.429	GC	0.309	0	Anodyne	ref	GCABRM	CC(C)CCCCC(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)[O-])CO[C@@H]12	in-vitro biogenic
CC(C)=CCC/C(C)=C/COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000107434683	82/12/72/205821272	AXWLJQKHNCEKHK-NLGPRMJCSA-N	0	380.441	GC	0.865	0	Anodyne	ref	GCAARN	CC(C)=CCC/C(C)=C/COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	in-vitro biogenic
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)OC(=O)CCCNC1=O	ZINC000225399401	25/89/39/206258939	QWWUZAJFCIZIIQ-KKUMJFAQSA-N	0	383.489	GC	0.89	0	Anodyne	ref	GCAARN	CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)OC(=O)CCCNC1=O	in-vitro biogenic
CC(C)=CCC/C(C)=C/COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000230077252	03/61/14/560036114	AXWLJQKHNCEKHK-JIUKPOSXSA-N	0	380.441	GC	0.865	0	Anodyne	ref	GCAARN	CC(C)=CCC/C(C)=C/COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	in-vitro biogenic
C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)O)[C@@H](O)[C@H]1C(=C)CO	ZINC000252463610	04/12/15/560041215	IMMCRIJMXKHWHH-KOVNWGBHSA-N	-1	396.436	GC	0.186	0	Mild	ref	GCEBRM	C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)[O-])[C@@H](O)[C@H]1C(=C)CO	in-vitro biogenic
C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)O)[C@@H](O)[C@@H]1C(=C)CO	ZINC000252463611	04/12/17/560041217	IMMCRIJMXKHWHH-SPABQMGBSA-N	-1	396.436	GC	0.186	0	Mild	ref	GCEBRM	C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)[O-])[C@@H](O)[C@@H]1C(=C)CO	in-vitro biogenic
C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)O)[C@H](O)[C@H]1C(=C)CO	ZINC000252463612	04/12/22/560041222	IMMCRIJMXKHWHH-XRLWNKCISA-N	-1	396.436	GC	0.186	0	Mild	ref	GCEBRM	C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H](C(=C)C(=O)[O-])[C@H](O)[C@H]1C(=C)CO	in-vitro biogenic
CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@@H](C(=O)O)CO[C@@H]12	ZINC000253388179	04/00/47/209040047	RQVIOHJGPCAFPM-BCXHRCINSA-N	-1	390.429	GC	0.309	0	Anodyne	ref	GCABRM	CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@@H](C(=O)[O-])CO[C@@H]12	in-vitro biogenic
CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@H](C(=O)O)CO[C@@H]12	ZINC000253388180	03/85/02/209038502	RQVIOHJGPCAFPM-CPFWCUNTSA-N	-1	390.429	GC	0.309	0	Anodyne	ref	GCABRM	CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@H](C(=O)[O-])CO[C@@H]12	in-vitro biogenic
CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@H](C(=O)O)CO[C@H]12	ZINC000253388182	03/93/25/209039325	RQVIOHJGPCAFPM-SYFCGACRSA-N	-1	390.429	GC	0.309	0	Anodyne	ref	GCABRM	CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@H](C(=O)[O-])CO[C@H]12	in-vitro biogenic
CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@@H](C(=O)O)CO[C@H]12	ZINC000253388183	03/95/92/560039592	RQVIOHJGPCAFPM-YOSLEZHJSA-N	-1	390.429	GC	0.309	0	Anodyne	ref	GCABRM	CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@@H](C(=O)[O-])CO[C@H]12	in-vitro biogenic
C[C@@H]1CC[C@]23CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C(C=O)=CC3(C)C	ZINC000253389251	03/91/45/560039145	CPNJZUTZDMXCTF-MNHLHMGBSA-N	0	396.48	GC	0.533	0	Reactive	ref	GCGERN	C[C@@H]1CC[C@]23CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C(C=O)=CC3(C)C	 
CCCCCCC1=C(CC(=O)O)C(=O)N([C@H](CCCNC(=N)N)C(=O)O)C1=O	ZINC000253398917	04/02/66/560040266	HVNIEXYPCXLFHA-CYBMUJFWSA-N	-1	396.444	GC	0.813	0	Anodyne	ref	GCABRM	CCCCCCC1=C(CC(=O)[O-])C(=O)N([C@H](CCCNC(N)=[NH2+])C(=O)[O-])C1=O	in-vitro biogenic
CCCCCCC1=C(CC(=O)O)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)C1=O	ZINC000253398920	04/02/29/560040229	HVNIEXYPCXLFHA-ZDUSSCGKSA-N	-1	396.444	GC	0.813	0	Anodyne	ref	GCABRM	CCCCCCC1=C(CC(=O)[O-])C(=O)N([C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C1=O	in-vitro biogenic
CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)OC(=O)CCCNC1=O	ZINC000253481009	28/48/20/206284820	QWWUZAJFCIZIIQ-ILXRZTDVSA-N	0	383.489	GC	0.89	0	Anodyne	ref	GCABRN	CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)OC(=O)CCCNC1=O	in-vitro biogenic
C=C(C(=O)O[C@H]1CC(C)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO	ZINC000253953373	97/58/82/570975882	ZTDFZLVUIVPZDU-XMTFNYHQSA-N	0	378.421	GC	0.954	0	Mild	ref	GCEBRN	C=C(C(=O)O[C@H]1CC(C)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO	in-vitro biogenic
C=C(C(=O)O[C@H]1CC(C)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](O)CO	ZINC000299888846	42/91/60/526429160	ZTDFZLVUIVPZDU-WNRNVDISSA-N	0	378.421	GC	0.954	0	Mild	ref	GCEBRN	C=C(C(=O)O[C@H]1CC(C)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](O)CO	 
COC(=O)c1c(OS(=O)(=O)O)cccc1C(=O)c1cc(CO)cc(O)c1O	ZINC000514288145	03/54/76/560035476	RGVUQBHTRXQBEQ-UHFFFAOYSA-N	-1	398.345	GC	0.789	1	Clean	mid	GCCAMM	COC(=O)c1c(OS(=O)(=O)[O-])cccc1C(=O)c1cc(CO)cc(O)c1O	in-vitro biogenic
COC(=O)c1c(OS(=O)(=O)O)cccc1C(=O)c1cc(CO)cc(O)c1O	ZINC000514288145	03/54/75/560035475	RGVUQBHTRXQBEQ-UHFFFAOYSA-N	-2	398.345	GC	0.789	0	Clean	ref	GCCARL	COC(=O)c1c(OS(=O)(=O)[O-])cccc1C(=O)c1cc(CO)cc(O)c1[O-]	in-vitro biogenic
CCCCC[C@H](CC[C@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000514288245	03/54/31/560035431	YAZBAPFSBSLGJA-AUPVCWRJSA-N	0	376.446	GC	0.238	0	Anodyne	ref	GCAARN	CCCCC[C@H](CC[C@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CCCCC[C@@H](CC[C@@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000514288246	03/54/28/560035428	YAZBAPFSBSLGJA-AVXFYLFHSA-N	0	376.446	GC	0.238	0	Anodyne	ref	GCAARN	CCCCC[C@@H](CC[C@@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CCCCC[C@@H](CC[C@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000514288247	03/52/39/560035239	YAZBAPFSBSLGJA-CYGVFTLASA-N	0	376.446	GC	0.238	0	Anodyne	ref	GCAARN	CCCCC[C@@H](CC[C@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CCCCC[C@H](CC[C@@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000514288248	03/52/11/560035211	YAZBAPFSBSLGJA-DNRMPTOCSA-N	0	376.446	GC	0.238	0	Anodyne	ref	GCAARN	CCCCC[C@H](CC[C@@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic