C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC=O	ZINC000001529302	67/86/42/290678642	CSKKDSFETGLMSB-DAPNGDDTSA-N	0	388.369	GA	-1.776	0	Anodyne	ref	GAAARN	C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC=O	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12	ZINC000003882101	49/46/74/206494674	IBFYXTRXDNAPMM-BVTMAQQCSA-N	0	388.369	GA	-2.229	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C	ZINC000003978792	02/28/13/204022813	AMBQHHVBBHTQBF-UOUCRYGSSA-N	0	390.385	GA	-2.151	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C	in-vitro biogenic
C[C@H]1[C@@H](O)C[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	ZINC000003978795	19/27/91/560192791	JNNGEAWILNVFFD-CDJYTOATSA-N	-1	376.358	GA	-2.239	0	Anodyne	ref	GAAARM	C[C@H]1[C@@H](O)C[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	in-vitro biogenic
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O	ZINC000004095728	02/62/17/204026217	CSKKDSFETGLMSB-NRZPKYKESA-N	0	388.369	GA	-1.776	0	Mild	ref	GAEARN	C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@H](O)C[C@@H]12	ZINC000004268363	19/80/51/560198051	AMBQHHVBBHTQBF-RQPFVBNVSA-N	0	390.385	GA	-2.151	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@H](O)C[C@@H]12	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1C[C@@H](O)[C@@H]2C	ZINC000004268364	19/80/92/560198092	AMBQHHVBBHTQBF-ZBCSOUIKSA-N	0	390.385	GA	-2.151	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1C[C@@H](O)[C@@H]2C	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@@H]12	ZINC000004268365	19/80/53/560198053	AMBQHHVBBHTQBF-FUVABLKESA-N	0	390.385	GA	-2.151	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@@H]12	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1C[C@H](O)[C@@H]2C	ZINC000004268368	19/80/80/560198080	AMBQHHVBBHTQBF-ZWTYCWAMSA-N	0	390.385	GA	-2.151	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1C[C@H](O)[C@@H]2C	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O	ZINC000006032117	16/08/21/204160821	XBGJTRDIWPEIMG-DUMNYRKASA-N	0	390.385	GA	-2.007	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O	in-vitro biogenic
C=C[C@@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006379175	20/56/34/560205634	CSKKDSFETGLMSB-IHWFKXIESA-N	0	388.369	GA	-1.776	0	Mild	ref	GAEBRN	C=C[C@@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	in-vitro biogenic
C=C[C@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006379177	77/57/42/205775742	CSKKDSFETGLMSB-YEASIVRPSA-N	0	388.369	GA	-1.776	0	Mild	ref	GAEBRN	C=C[C@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	in-vitro biogenic
C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O	ZINC000006379180	20/56/17/560205617	CSKKDSFETGLMSB-QNXVOQSCSA-N	0	388.369	GA	-1.776	0	Mild	ref	GAEBRN	C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O	in-vitro biogenic
C=C[C@@H]1[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O	ZINC000006379183	67/68/37/208676837	CSKKDSFETGLMSB-DDOYBKBBSA-N	0	388.369	GA	-1.776	0	Mild	ref	GAEBRN	C=C[C@@H]1[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2C	ZINC000013407266	21/64/41/560216441	AMBQHHVBBHTQBF-SEOYNZOCSA-N	0	390.385	GA	-2.151	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2C	in-vitro biogenic
C[C@]1(O)CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	ZINC000028538287	89/35/62/211893562	VLCHQFXSBHIBRV-NJPMDSMTSA-N	-1	376.358	GA	-2.095	0	Anodyne	ref	GAAARM	C[C@]1(O)CC[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@H]2C	ZINC000028538317	04/40/74/206044074	AMBQHHVBBHTQBF-DIQZWRSRSA-N	0	390.385	GA	-2.151	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@H]2C	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1CC[C@@]2(C)O	ZINC000031156298	09/06/21/560090621	XBGJTRDIWPEIMG-LILWOFCXSA-N	0	390.385	GA	-2.007	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1CC[C@@]2(C)O	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@@]2(C)O	ZINC000031156303	09/06/28/560090628	XBGJTRDIWPEIMG-AYDWLWLASA-N	0	390.385	GA	-2.007	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@@]2(C)O	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1CC[C@@]2(C)O	ZINC000031156306	09/06/30/560090630	XBGJTRDIWPEIMG-GDHAGNFOSA-N	0	390.385	GA	-2.007	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1CC[C@@]2(C)O	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1CC[C@@]2(C)O	ZINC000031156311	09/06/04/560090604	XBGJTRDIWPEIMG-KYMQPQHFSA-N	0	390.385	GA	-2.007	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1CC[C@@]2(C)O	in-vitro biogenic
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1OC	ZINC000031156650	09/06/20/560090620	MLOMRDQPPYHSAX-QSDFBURQSA-N	0	384.337	GA	-1.011	0	Anodyne	ref	GAAARN	COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1OC	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000033830308	08/88/92/560088892	HLXRWTJXGMHOFN-JCODQTAESA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@@H]12	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@H]2C	ZINC000033830310	08/89/00/560088900	HLXRWTJXGMHOFN-GSVAQQCBSA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@H]2C	in-vitro biogenic
COc1cc2ccc(=O)oc2c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000033831993	08/85/20/560088520	IKUQEFGEUOOPGY-QSDFBURQSA-N	0	384.337	GA	-1.011	0	Anodyne	ref	GAAARN	COc1cc2ccc(=O)oc2c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1CC[C@]2(C)O	ZINC000034166788	08/74/57/560087457	XBGJTRDIWPEIMG-SCHFUKFYSA-N	0	390.385	GA	-2.007	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1CC[C@]2(C)O	in-vitro biogenic
C=C[C@@H]1[C@H](CC(=O)O)C(C(=O)O)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000034235758	30/22/96/519302296	RGTONEMDTVVDMY-AGPLSWPBSA-N	-2	390.341	GA	-1.979	0	Mild	ref	GAEBRL	C=C[C@@H]1[C@H](CC(=O)[O-])C(C(=O)[O-])=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	in-vitro biogenic
C=C[C@H]1[C@H](CC(=O)O)C(C(=O)O)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000034235759	29/66/80/519296680	RGTONEMDTVVDMY-DPALZUJISA-N	-2	390.341	GA	-1.979	0	Mild	ref	GAEBRL	C=C[C@H]1[C@H](CC(=O)[O-])C(C(=O)[O-])=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	in-vitro biogenic
C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)O)[C@@H]1CC(=O)O	ZINC000034235760	30/23/14/519302314	RGTONEMDTVVDMY-RINGQIIMSA-N	-2	390.341	GA	-1.979	0	Mild	ref	GAEBRL	C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@@H]1CC(=O)[O-]	in-vitro biogenic
C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)O)[C@@H]1CC(=O)O	ZINC000034235761	29/56/73/519295673	RGTONEMDTVVDMY-MKIJJKRGSA-N	-2	390.341	GA	-1.979	0	Mild	ref	GAEBRL	C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@@H]1CC(=O)[O-]	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C	ZINC000049785214	08/35/12/560083512	NWNMAVFXIRDAPM-RELKVJPISA-N	0	396.436	GA	-1.086	0	Mild	ref	GAEARN	CC1CC(=O)C(=O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[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]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2[C@@]13C	ZINC000067912688	85/28/68/520852868	NWNMAVFXIRDAPM-WDCJLDQYSA-N	0	396.436	GA	-1.086	0	Mild	ref	GAEARN	CC1CC(=O)C(=O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[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]3[C@@H](O)[C@H](O)[C@H](C)[C@]4(O)[C@@H](O)C(=O)O[C@H](C[C@H]12)[C@]34C	ZINC000067912690	85/15/46/520851546	NWNMAVFXIRDAPM-YLTBIINWSA-N	0	396.436	GA	-1.086	0	Mild	ref	GAEARN	CC1CC(=O)C(=O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[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]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C	ZINC000067912692	85/23/69/520852369	NWNMAVFXIRDAPM-NRWGFOQVSA-N	0	396.436	GA	-1.086	0	Mild	ref	GAEARN	CC1CC(=O)C(=O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@H](C)[C@]4(O)[C@@H](O)C(=O)O[C@H](C[C@H]12)[C@]34C	in-vitro biogenic
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)C(=O)C[C@@H]12	ZINC000067912734	04/94/11/560049411	LPOVXLVQNSEZGE-IGCTVWQBSA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)C(=O)C[C@@H]12	in-vitro biogenic
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)C(=O)C[C@@H]12	ZINC000067912736	16/74/96/222167496	LPOVXLVQNSEZGE-MILFQFBUSA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)C(=O)C[C@@H]12	in-vitro biogenic
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)C(=O)C[C@@H]12	ZINC000067912737	04/94/15/560049415	LPOVXLVQNSEZGE-OLHXVJHTSA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)C(=O)C[C@@H]12	in-vitro biogenic
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)C(=O)C[C@@H]12	ZINC000067912740	04/94/14/560049414	LPOVXLVQNSEZGE-LIDGZUEPSA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)C(=O)C[C@@H]12	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000077257455	27/06/24/533270624	HLXRWTJXGMHOFN-AXUVWIDPSA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C(=O)C[C@H]2C	ZINC000077257457	04/69/44/560046944	HLXRWTJXGMHOFN-IDEWDWLNSA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C(=O)C[C@H]2C	in-vitro biogenic
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CCO	ZINC000096111499	60/68/68/527606868	GHRNLKSWTKHISE-NRZPKYKESA-N	0	390.385	GA	-1.983	0	Mild	ref	GAEBRN	C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CCO	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@H]2C	ZINC000103214646	61/66/24/211616624	AMBQHHVBBHTQBF-JXJJGCLCSA-N	0	390.385	GA	-2.151	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@H]2C	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1CC[C@]2(C)O	ZINC000105153542	04/51/60/560045160	XBGJTRDIWPEIMG-JTZTUSFRSA-N	0	390.385	GA	-2.007	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1CC[C@]2(C)O	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1CC[C@]2(C)O	ZINC000105153547	62/35/38/211623538	XBGJTRDIWPEIMG-WDAXRBQVSA-N	0	390.385	GA	-2.007	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1CC[C@]2(C)O	in-vitro biogenic
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)C(=O)C[C@H]12	ZINC000137972545	19/93/89/565199389	LPOVXLVQNSEZGE-UHHUUYMLSA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAAARN	COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)C(=O)C[C@H]12	in-vitro biogenic
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@H]2C	ZINC000253389203	03/93/24/560039324	AMBQHHVBBHTQBF-KQCYYMTHSA-N	0	390.385	GA	-2.151	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@H]2C	in-vitro biogenic
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C	ZINC000253389902	03/92/18/560039218	LPOVXLVQNSEZGE-FZSFNHNKSA-N	0	388.369	GA	-1.943	0	Anodyne	ref	GAABRN	COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C	in-vitro biogenic
C=C[C@@H]1[C@H](CC(=O)O)C(C(=O)O)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253500902	03/89/70/560038970	RGTONEMDTVVDMY-BSVMSBSBSA-N	-2	390.341	GA	-1.979	0	Mild	ref	GAEBRL	C=C[C@@H]1[C@H](CC(=O)[O-])C(C(=O)[O-])=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	in-vitro biogenic
C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)O)[C@@H]1CC(=O)O	ZINC000253500904	03/89/47/560038947	RGTONEMDTVVDMY-HJEWQYQDSA-N	-2	390.341	GA	-1.979	0	Mild	ref	GAEBRL	C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)[O-])[C@@H]1CC(=O)[O-]	in-vitro biogenic
C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)O)[C@@H]1CC(=O)O	ZINC000253500905	29/66/32/519296632	RGTONEMDTVVDMY-MQIBRIRNSA-N	-2	390.341	GA	-1.979	0	Mild	ref	GAEBRL	C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)[O-])[C@@H]1CC(=O)[O-]	in-vitro biogenic
C=C[C@H]1[C@H](CC(=O)O)C(C(=O)O)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253500907	03/89/59/560038959	RGTONEMDTVVDMY-VLROJPKHSA-N	-2	390.341	GA	-1.979	0	Mild	ref	GAEBRL	C=C[C@H]1[C@H](CC(=O)[O-])C(C(=O)[O-])=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	in-vitro biogenic
C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC=O	ZINC000253532128	03/81/27/560038127	CSKKDSFETGLMSB-FKALSJCCSA-N	0	388.369	GA	-1.776	0	Mild	ref	GAEBRN	C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC=O	in-vitro biogenic
C=C[C@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253532129	29/51/05/519295105	CSKKDSFETGLMSB-OQCRBYMASA-N	0	388.369	GA	-1.776	0	Mild	ref	GAEBRN	C=C[C@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	in-vitro biogenic
C=C[C@@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253532130	30/21/88/519302188	CSKKDSFETGLMSB-ZCYGGNQWSA-N	0	388.369	GA	-1.776	0	Mild	ref	GAEBRN	C=C[C@@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	in-vitro biogenic