CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21	ZINC000004097780	11/86/61/210118661	OGHYZHNTIINXEO-MGBQOKOWSA-N	0	348.395	EC	0.646	0	Mild	ref	ECEARN	CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21	in-vitro biogenic
O=C(O)C[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O	ZINC000013536425	84/51/42/257845142	LRJBKCVWTWKWRX-JLBMVGGZSA-N	-3	338.268	EC	0.577	0	Anodyne	ref	ECAARL	O=C([O-])C[C@H](C(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	in-vitro biogenic
O=C(O)C[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O	ZINC000013536432	84/52/28/257845228	LRJBKCVWTWKWRX-UBYARMNVSA-N	-3	338.268	EC	0.577	0	Anodyne	ref	ECAARL	O=C([O-])C[C@@H](C(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	in-vitro biogenic
O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H](O)[C@@H](O)[C@@H]1O	ZINC000014920475	72/57/12/290725712	HXRHVUWGMADGQP-IPMKNSEASA-N	0	344.363	EC	0.905	0	Anodyne	ref	ECAARN	O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H](O)[C@@H](O)[C@@H]1O	in-vitro biogenic
O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H](O)[C@@H](O)[C@H]1O	ZINC000014920478	07/69/26/436076926	HXRHVUWGMADGQP-GBESFXJTSA-N	0	344.363	EC	0.905	0	Anodyne	ref	ECAARN	O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H](O)[C@@H](O)[C@H]1O	in-vitro biogenic
CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C	ZINC000027652832	18/00/58/436180058	VEBVPUXQAPLADL-POYOOMFHSA-N	0	348.439	EC	0.815	0	Anodyne	ref	ECAARN	CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C	in-vitro biogenic
CC(C)=CCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031155623	22/56/16/436225616	TZABDPRGZVHMRW-NQNKBUKLSA-N	0	340.372	EC	0.08	0	Anodyne	ref	ECAARN	CC(C)=CCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
C[C@@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163880	22/57/94/436225794	BMKQPAJRQUUYGC-NPMWZIQKSA-N	-2	330.292	EC	0.993	3	Clean	high	ECCAHL	C[C@@H](O)[C@@H](O)c1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	in-vitro biogenic
C[C@@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163880	22/57/91/436225791	BMKQPAJRQUUYGC-NPMWZIQKSA-N	0	330.292	EC	0.993	1	Clean	mid	ECCAMN	C[C@@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	in-vitro biogenic
C[C@@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163880	22/57/88/436225788	BMKQPAJRQUUYGC-NPMWZIQKSA-N	-1	330.292	EC	0.993	0	Clean	ref	ECCARM	C[C@@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	in-vitro biogenic
C[C@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163884	22/50/70/436225070	BMKQPAJRQUUYGC-WDDATRMLSA-N	-2	330.292	EC	0.993	3	Clean	high	ECCAHL	C[C@H](O)[C@@H](O)c1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	in-vitro biogenic
C[C@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163884	22/50/67/436225067	BMKQPAJRQUUYGC-WDDATRMLSA-N	0	330.292	EC	0.993	1	Clean	mid	ECCAMN	C[C@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	in-vitro biogenic
C[C@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163884	22/50/56/436225056	BMKQPAJRQUUYGC-WDDATRMLSA-N	-1	330.292	EC	0.993	0	Clean	ref	ECCARM	C[C@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	in-vitro biogenic
C[C@@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163888	22/52/93/436225293	BMKQPAJRQUUYGC-BAHMLBHCSA-N	-2	330.292	EC	0.993	3	Clean	high	ECCAHL	C[C@@H](O)[C@H](O)c1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	in-vitro biogenic
C[C@@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163888	22/52/87/436225287	BMKQPAJRQUUYGC-BAHMLBHCSA-N	0	330.292	EC	0.993	1	Clean	mid	ECCAMN	C[C@@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	in-vitro biogenic
C[C@@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163888	22/52/83/436225283	BMKQPAJRQUUYGC-BAHMLBHCSA-N	-1	330.292	EC	0.993	0	Clean	ref	ECCARM	C[C@@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	in-vitro biogenic
C[C@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163892	22/60/07/436226007	BMKQPAJRQUUYGC-XHLQUELWSA-N	-2	330.292	EC	0.993	3	Clean	high	ECCAHL	C[C@H](O)[C@H](O)c1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	in-vitro biogenic
C[C@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163892	22/60/04/436226004	BMKQPAJRQUUYGC-XHLQUELWSA-N	0	330.292	EC	0.993	1	Clean	mid	ECCAMN	C[C@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	in-vitro biogenic
C[C@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000031163892	22/60/00/436226000	BMKQPAJRQUUYGC-XHLQUELWSA-N	-1	330.292	EC	0.993	0	Clean	ref	ECCARM	C[C@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	in-vitro biogenic
COc1cc(O)c(CCC(=O)O)cc1[C@@H]1OC(=O)[C@@](C)(O)[C@@H]1O	ZINC000031167814	22/53/63/436225363	BNLUQONOBPMVBG-GUTXKFCHSA-N	-1	326.301	EC	0.128	0	Anodyne	ref	ECAARM	COc1cc(O)c(CCC(=O)[O-])cc1[C@@H]1OC(=O)[C@@](C)(O)[C@@H]1O	in-vitro biogenic
COc1cc(O)c(CCC(=O)O)cc1[C@@H]1OC(=O)[C@](C)(O)[C@@H]1O	ZINC000031167821	72/61/73/212726173	BNLUQONOBPMVBG-GZBFAFLISA-N	-1	326.301	EC	0.128	0	Anodyne	ref	ECAARM	COc1cc(O)c(CCC(=O)[O-])cc1[C@@H]1OC(=O)[C@](C)(O)[C@@H]1O	in-vitro biogenic
C[C@@H]1CC(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O1	ZINC000035456019	27/24/70/296272470	MJMMUATWVTYSFD-WRROUBRXSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECAARN	C[C@@H]1CC(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O1	in-vitro biogenic
C[C@H]1CC(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O1	ZINC000035456024	19/51/13/291195113	MJMMUATWVTYSFD-NTLPBGSRSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	C[C@H]1CC(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O1	in-vitro biogenic
C[C@@H]1OC(=O)C[C@@H](C)OC(=O)/C=C/[C@@H](O)[C@@H](C)OC(=O)/C=C/[C@H]1O	ZINC000035456028	27/24/53/296272453	MJMMUATWVTYSFD-JTKMWFRSSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	C[C@@H]1OC(=O)C[C@@H](C)OC(=O)/C=C/[C@@H](O)[C@@H](C)OC(=O)/C=C/[C@H]1O	in-vitro biogenic
C[C@H]1CC(=O)O[C@@H](C)[C@H](O)/C=C/C(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O1	ZINC000035456033	19/51/38/291195138	MJMMUATWVTYSFD-VQUNNAKDSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	C[C@H]1CC(=O)O[C@@H](C)[C@H](O)/C=C/C(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O1	in-vitro biogenic
CC(=O)O[C@@H](C)[C@@H](/C=C/[C@H](O)[C@H](O)[C@@H]1CC=CC(=O)O1)OC(C)=O	ZINC000035456589	03/02/54/213030254	RAZHULSADOGMPF-XPULLWRWSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	CC(=O)O[C@@H](C)[C@@H](/C=C/[C@H](O)[C@H](O)[C@@H]1CC=CC(=O)O1)OC(C)=O	in-vitro biogenic
CC(=O)O[C@H](C)[C@@H](/C=C/[C@H](O)[C@H](O)[C@@H]1CC=CC(=O)O1)OC(C)=O	ZINC000035456593	03/04/86/213030486	RAZHULSADOGMPF-MXNWIYTFSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	CC(=O)O[C@H](C)[C@@H](/C=C/[C@H](O)[C@H](O)[C@@H]1CC=CC(=O)O1)OC(C)=O	in-vitro biogenic
CC(=O)O[C@@H](C)[C@H](/C=C/[C@H](O)[C@H](O)[C@@H]1CC=CC(=O)O1)OC(C)=O	ZINC000035456597	02/97/99/213029799	RAZHULSADOGMPF-FDCYMOHMSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	CC(=O)O[C@@H](C)[C@H](/C=C/[C@H](O)[C@H](O)[C@@H]1CC=CC(=O)O1)OC(C)=O	in-vitro biogenic
CC(=O)O[C@@H](/C=C/[C@H](O)[C@H](O)[C@@H]1CC=CC(=O)O1)[C@@H](C)OC(C)=O	ZINC000035456602	03/06/70/213030670	RAZHULSADOGMPF-MJNJAWLJSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECAARN	CC(=O)O[C@@H](/C=C/[C@H](O)[C@H](O)[C@@H]1CC=CC(=O)O1)[C@@H](C)OC(C)=O	in-vitro biogenic
CC/C=C(\C)[C@H](O)[C@@H](C)C(=O)NCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O	ZINC000035456967	03/06/11/213030611	JNKVBUQSDAHKDQ-UVCPUUSDSA-N	-1	343.42	EC	0.743	0	Anodyne	ref	ECABRM	CC/C=C(\C)[C@H](O)[C@@H](C)C(=O)NCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[O-]	in-vitro biogenic
CC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)NCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O	ZINC000035456971	03/05/37/213030537	JNKVBUQSDAHKDQ-LTHWWJFOSA-N	-1	343.42	EC	0.743	0	Anodyne	ref	ECABRM	CC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)NCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[O-]	in-vitro biogenic
CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O	ZINC000035456975	03/04/97/213030497	JNKVBUQSDAHKDQ-SUZGWXKTSA-N	-1	343.42	EC	0.743	0	Anodyne	ref	ECABRM	CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[O-]	in-vitro biogenic
CC/C=C(\C)[C@@H](O)[C@H](C)C(=O)NCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O	ZINC000035456979	03/05/20/213030520	JNKVBUQSDAHKDQ-RVUOZEFXSA-N	-1	343.42	EC	0.743	0	Anodyne	ref	ECABRM	CC/C=C(\C)[C@@H](O)[C@H](C)C(=O)NCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[O-]	in-vitro biogenic
COc1cc(O)c(CCC(=O)O)cc1[C@@H]1OC(=O)[C@@](C)(O)[C@H]1O	ZINC000035464772	03/04/19/213030419	BNLUQONOBPMVBG-YDHLFZDLSA-N	-1	326.301	EC	0.128	0	Anodyne	ref	ECAARM	COc1cc(O)c(CCC(=O)[O-])cc1[C@@H]1OC(=O)[C@@](C)(O)[C@H]1O	in-vitro biogenic
COc1cc(O)c(CCC(=O)O)cc1[C@@H]1OC(=O)[C@](C)(O)[C@H]1O	ZINC000035464775	03/06/55/213030655	BNLUQONOBPMVBG-KCQAQPDRSA-N	-1	326.301	EC	0.128	0	Anodyne	ref	ECAARM	COc1cc(O)c(CCC(=O)[O-])cc1[C@@H]1OC(=O)[C@](C)(O)[C@H]1O	in-vitro biogenic
O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H](O)[C@H](O)[C@H]1O	ZINC000042888388	81/82/33/284818233	HXRHVUWGMADGQP-FHWLQOOXSA-N	0	344.363	EC	0.905	0	Anodyne	ref	ECAARN	O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]21	ZINC000049600292	02/09/31/214020931	OGHYZHNTIINXEO-LEGLBQICSA-N	0	348.395	EC	0.646	0	Mild	ref	ECEARN	CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]21	in-vitro biogenic
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O	ZINC000070454934	98/54/71/435985471	XRIRDTGIFOWQDB-CCGADRJDSA-N	-1	346.379	EC	0.883	0	Mild	ref	ECEBRM	C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)[O-]	in-vitro biogenic
O=C(O)C[C@@H](C(=O)O)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O	ZINC000085565475	84/48/42/257844842	LRJBKCVWTWKWRX-AJOUATDUSA-N	-3	338.268	EC	0.577	0	Anodyne	ref	ECABRL	O=C([O-])C[C@@H](C(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	in-vitro biogenic
COC1=Cc2c(nc3n(c2=O)[C@H](C)C(=O)N[C@]3(O)C(C)C)OC=C1	ZINC000096295908	19/22/00/277192200	OSDYZSDCSJYUFO-ABKXIKBNSA-N	0	333.344	EC	0.629	0	Anodyne	ref	ECABRN	COC1=Cc2c(nc3n(c2=O)[C@H](C)C(=O)N[C@]3(O)C(C)C)OC=C1	in-vitro biogenic
COC1=Cc2c(nc3n(c2=O)[C@@H](C)C(=O)N[C@]3(O)C(C)C)OC=C1	ZINC000096295909	15/09/41/292150941	OSDYZSDCSJYUFO-FVMDXXJSSA-N	0	333.344	EC	0.629	0	Anodyne	ref	ECABRN	COC1=Cc2c(nc3n(c2=O)[C@@H](C)C(=O)N[C@]3(O)C(C)C)OC=C1	in-vitro biogenic
COC1=Cc2c(nc3n(c2=O)[C@H](C)C(=O)N[C@@]3(O)C(C)C)OC=C1	ZINC000096295911	01/58/44/274015844	OSDYZSDCSJYUFO-JDNHERCYSA-N	0	333.344	EC	0.629	0	Anodyne	ref	ECABRN	COC1=Cc2c(nc3n(c2=O)[C@H](C)C(=O)N[C@@]3(O)C(C)C)OC=C1	in-vitro biogenic
COC1=Cc2c(nc3n(c2=O)[C@@H](C)C(=O)N[C@@]3(O)C(C)C)OC=C1	ZINC000096295912	47/56/83/277475683	OSDYZSDCSJYUFO-XXFAHNHDSA-N	0	333.344	EC	0.629	0	Anodyne	ref	ECABRN	COC1=Cc2c(nc3n(c2=O)[C@@H](C)C(=O)N[C@@]3(O)C(C)C)OC=C1	in-vitro biogenic
CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)O	ZINC000107434021	61/11/58/436611158	JNKVBUQSDAHKDQ-LPQHLAFDSA-N	-1	343.42	EC	0.743	0	Anodyne	ref	ECAARM	CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[O-]	in-vitro biogenic
CC(C)(O)C[C@H](CO)NC(=O)C[C@H](O)CC(=O)Cc1ccccc1	ZINC000225448201	70/99/16/436709916	ZCEYUYRVYFKPRM-GDBMZVCRSA-N	0	337.416	EC	0.577	0	Anodyne	ref	ECAARN	CC(C)(O)C[C@H](CO)NC(=O)C[C@H](O)CC(=O)Cc1ccccc1	in-vitro biogenic
CC(C)(O)C[C@@H](CO)NC(=O)C[C@H](O)CC(=O)Cc1ccccc1	ZINC000225448235	70/95/08/436709508	ZCEYUYRVYFKPRM-GOEBONIOSA-N	0	337.416	EC	0.577	0	Anodyne	ref	ECAARN	CC(C)(O)C[C@@H](CO)NC(=O)C[C@H](O)CC(=O)Cc1ccccc1	in-vitro biogenic
CC(C)(O)C[C@H](CO)NC(=O)C[C@@H](O)CC(=O)Cc1ccccc1	ZINC000225448283	71/06/10/436710610	ZCEYUYRVYFKPRM-ZBFHGGJFSA-N	0	337.416	EC	0.577	0	Anodyne	ref	ECAARN	CC(C)(O)C[C@H](CO)NC(=O)C[C@@H](O)CC(=O)Cc1ccccc1	in-vitro biogenic
CC(C)(O)C[C@@H](CO)NC(=O)C[C@@H](O)CC(=O)Cc1ccccc1	ZINC000225448315	31/52/76/535315276	ZCEYUYRVYFKPRM-HOCLYGCPSA-N	0	337.416	EC	0.577	0	Anodyne	ref	ECAARN	CC(C)(O)C[C@@H](CO)NC(=O)C[C@@H](O)CC(=O)Cc1ccccc1	in-vitro biogenic
CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)O	ZINC000248252674	80/02/34/436800234	JNKVBUQSDAHKDQ-FECNEQINSA-N	-1	343.42	EC	0.743	0	Anodyne	ref	ECABRM	CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)[O-]	in-vitro biogenic
CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)O	ZINC000248252675	80/04/01/436800401	JNKVBUQSDAHKDQ-RIBOEFHJSA-N	-1	343.42	EC	0.743	0	Anodyne	ref	ECABRM	CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[O-]	in-vitro biogenic
CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@H](O)[C@@H](C)C(=O)O	ZINC000248252676	80/13/94/436801394	JNKVBUQSDAHKDQ-YQSOKKFZSA-N	-1	343.42	EC	0.743	0	Anodyne	ref	ECABRM	CC/C=C(\C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@H](O)[C@@H](C)C(=O)[O-]	in-vitro biogenic
C[C@@H]1CC(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O[C@H](C)[C@@H](O)/C=C/C(=O)O1	ZINC000253387431	27/24/52/296272452	MJMMUATWVTYSFD-ARKBRVRLSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	C[C@@H]1CC(=O)O[C@H](C)[C@H](O)/C=C/C(=O)O[C@H](C)[C@@H](O)/C=C/C(=O)O1	in-vitro biogenic
C[C@@H]1OC(=O)/C=C/[C@@H](O)[C@@H](C)OC(=O)C[C@@H](C)OC(=O)/C=C/[C@H]1O	ZINC000253387432	27/25/29/296272529	MJMMUATWVTYSFD-RUBAJIRHSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	C[C@@H]1OC(=O)/C=C/[C@@H](O)[C@@H](C)OC(=O)C[C@@H](C)OC(=O)/C=C/[C@H]1O	in-vitro biogenic
C[C@@H]1OC(=O)/C=C/[C@@H](O)[C@@H](C)OC(=O)C[C@@H](C)OC(=O)/C=C/[C@@H]1O	ZINC000253387433	27/23/92/296272392	MJMMUATWVTYSFD-SAHZPFNSSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	C[C@@H]1OC(=O)/C=C/[C@@H](O)[C@@H](C)OC(=O)C[C@@H](C)OC(=O)/C=C/[C@@H]1O	in-vitro biogenic
CC(=O)O[C@@H](/C=C/[C@H](O)[C@@H](O)[C@@H]1CC=CC(=O)O1)[C@@H](C)OC(C)=O	ZINC000253389567	75/76/46/519757646	RAZHULSADOGMPF-JJIWDSLRSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	CC(=O)O[C@@H](/C=C/[C@H](O)[C@@H](O)[C@@H]1CC=CC(=O)O1)[C@@H](C)OC(C)=O	in-vitro biogenic
CC(=O)O[C@@H](/C=C/[C@H](O)[C@H](O)[C@H]1CC=CC(=O)O1)[C@@H](C)OC(C)=O	ZINC000253389568	75/79/36/519757936	RAZHULSADOGMPF-MGXNAESTSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	CC(=O)O[C@@H](/C=C/[C@H](O)[C@H](O)[C@H]1CC=CC(=O)O1)[C@@H](C)OC(C)=O	in-vitro biogenic
CC(=O)O[C@@H](/C=C/[C@H](O)[C@@H](O)[C@H]1CC=CC(=O)O1)[C@@H](C)OC(C)=O	ZINC000253389569	83/96/54/436839654	RAZHULSADOGMPF-STXQWHITSA-N	0	342.344	EC	0.019	0	Anodyne	ref	ECABRN	CC(=O)O[C@@H](/C=C/[C@H](O)[C@@H](O)[C@H]1CC=CC(=O)O1)[C@@H](C)OC(C)=O	in-vitro biogenic
O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H](O)[C@H](O)[C@@H]1O	ZINC000257440659	87/60/29/436876029	HXRHVUWGMADGQP-OTWHNJEPSA-N	0	344.363	EC	0.905	0	Anodyne	ref	ECAARN	O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H](O)[C@H](O)[C@@H]1O	in-vitro biogenic
O=C(O)C[C@H](C(=O)O)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O	ZINC000514288058	81/28/23/438812823	LRJBKCVWTWKWRX-FHLABYSCSA-N	-3	338.268	EC	0.577	0	Anodyne	ref	ECAARL	O=C([O-])C[C@H](C(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	in-vitro biogenic