C[C@@H](C[N+](C)(C)C)OC(N)=O	ZINC000000000083	35/23/97/168352397	NZUPCNDJBJXXRF-LURJTMIESA-O	1	161.225	AC	0.176	0	Bother	ref	ACBARO	C[C@@H](C[N+](C)(C)C)OC(N)=O	fda
COc1ccccc1OC[C@H](O)CO	ZINC000000000353	92/37/58/342923758	HSRJKNPTNIJEKV-MRVPVSSYSA-N	0	198.218	AC	0.427	0	Anodyne	ref	ACAARN	COc1ccccc1OC[C@H](O)CO	fda biogenic
Cc1ccccc1OC[C@H](O)CO	ZINC000000000450	92/36/88/342923688	JWDYCNIAQWPBHD-SECBINFHSA-N	0	182.219	AC	0.727	0	Anodyne	ref	ACAARN	Cc1ccccc1OC[C@H](O)CO	in-man
NC[C@@H](O)c1ccc(O)cc1	ZINC000000000558	20/48/97/169204897	QHGUCRYDKWKLMG-MRVPVSSYSA-N	1	153.181	AC	0.384	0	Anodyne	ref	ACAARO	[NH3+]C[C@@H](O)c1ccc(O)cc1	world biogenic
Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O	ZINC000000000711	92/38/19/342923819	KPQZUUQMTUIKBP-RXMQYKEDSA-N	0	185.183	AC	0.481	0	Bother	ref	ACBARN	Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O	world
CNC[C@@H](O)c1ccc(O)cc1	ZINC000000000733	00/64/68/168006468	YRCWQPVGYLYSOX-SECBINFHSA-N	1	167.208	AC	0.645	0	Anodyne	ref	ACAARO	C[NH2+]C[C@@H](O)c1ccc(O)cc1	world endogenous
Nc1ccc(C(=O)O)cc1	ZINC000000000920	29/11/15/169291115	ALYNCZNDIQEVRV-UHFFFAOYSA-N	-1	137.138	AC	0.967	0	Anodyne	ref	ACAARM	Nc1ccc(C(=O)[O-])cc1	in-man endogenous
Nc1ccc(C(=O)O)c(O)c1	ZINC000000000922	29/13/02/169291302	WUBBRNOQWQTFEX-UHFFFAOYSA-N	-1	153.137	AC	0.673	0	Anodyne	ref	ACAARM	Nc1ccc(C(=O)[O-])c(O)c1	fda
C[n+]1cccc(C(=O)O)c1	ZINC000000001082	92/38/04/342923804	WWNNZCOKKKDOPX-UHFFFAOYSA-O	0	138.146	AC	0.209	0	Anodyne	ref	ACAARN	C[n+]1cccc(C(=O)[O-])c1	in-man endogenous
O=c1nc(O)c2ccccc2o1	ZINC000000001098	99/08/39/170990839	OAYRYNVEFFWSHK-UHFFFAOYSA-N	0	163.132	AC	0.894	0	Anodyne	ref	ACAARN	O=c1[nH]c(=O)c2ccccc2o1	world
Cc1ncc([N+](=O)[O-])n1C	ZINC000000001307	92/37/38/342923738	IBXPYPUJPLLOIN-UHFFFAOYSA-N	0	141.13	AC	0.637	0	Bother	ref	ACBARN	Cc1ncc([N+](=O)[O-])n1C	in-man
O=C(O)c1cc(O)c(O)c(O)c1	ZINC000000001504	35/68/86/169356886	LNTHITQWFMADLM-UHFFFAOYSA-N	-1	170.12	AC	0.502	0	Clean	ref	ACCARM	O=C([O-])c1cc(O)c(O)c(O)c1	world metabolite
O=C(O)c1cc(O)ccc1O	ZINC000000001507	35/63/61/169356361	WXTMDXOMEHJXQO-UHFFFAOYSA-N	-1	154.121	AC	0.796	0	Anodyne	ref	ACAARM	O=C([O-])c1cc(O)ccc1O	in-man endogenous
CC(C)NNC(=O)c1ccncc1	ZINC000000001579	12/67/70/560126770	NYMGNSNKLVNMIA-UHFFFAOYSA-N	0	179.223	AC	0.724	0	Reactive	ref	ACGARN	CC(C)NNC(=O)c1ccncc1	world biogenic
Nc1ccc(O)c(C(=O)O)c1	ZINC000000001688	29/33/23/169293323	KBOPZPXVLCULAV-UHFFFAOYSA-N	0	153.137	AC	0.673	2	Anodyne	low	ACAALN	[NH3+]c1ccc(O)c(C(=O)[O-])c1	fda
Nc1ccc(O)c(C(=O)O)c1	ZINC000000001688	29/33/21/169293321	KBOPZPXVLCULAV-UHFFFAOYSA-N	-1	153.137	AC	0.673	0	Anodyne	ref	ACAARM	Nc1ccc(O)c(C(=O)[O-])c1	fda
C[C@H](N)[C@H](O)c1cccc(O)c1	ZINC000000001695	55/32/25/168553225	WXFIGDLSSYIKKV-RCOVLWMOSA-N	1	167.208	AC	0.773	0	Anodyne	ref	ACAARO	C[C@H]([NH3+])[C@H](O)c1cccc(O)c1	world
O=C(O)c1cccnc1	ZINC000000001795	92/38/09/342923809	PVNIIMVLHYAWGP-UHFFFAOYSA-N	-1	123.111	AC	0.78	0	Anodyne	ref	ACAARM	O=C([O-])c1cccnc1	fda endogenous
OCc1cccnc1	ZINC000000001799	43/95/26/169439526	MVQVNTPHUGQQHK-UHFFFAOYSA-N	0	109.128	AC	0.574	0	Anodyne	ref	ACAARN	OCc1cccnc1	investigational biogenic
O=C(O)c1ccc[n+]([O-])c1	ZINC000000001872	20/61/91/171206191	FJCFFCXMEXZEIM-UHFFFAOYSA-N	-1	139.11	AC	0.018	0	Anodyne	ref	ACAARM	O=C([O-])c1ccc[n+]([O-])c1	world
C1CCc2nnnn2CC1	ZINC000000001905	09/39/48/166093948	CWRVKFFCRWGWCS-UHFFFAOYSA-N	0	138.174	AC	0.399	0	Anodyne	ref	ACAARN	C1CCc2nnnn2CC1	in-man
N[C@H](Cc1ccccc1)C(=O)O	ZINC000000001927	26/87/24/169268724	COLNVLDHVKWLRT-MRVPVSSYSA-N	0	165.192	AC	0.641	0	Anodyne	ref	ACAARN	[NH3+][C@H](Cc1ccccc1)C(=O)[O-]	world endogenous
NCc1cccnc1	ZINC000000001944	22/63/45/169226345	HDOUGSFASVGDCS-UHFFFAOYSA-N	0	108.144	AC	0.54	3	Anodyne	high	ACAAHN	NCc1cccnc1	world
NCc1cccnc1	ZINC000000001944	22/63/43/169226343	HDOUGSFASVGDCS-UHFFFAOYSA-N	1	108.144	AC	0.54	0	Anodyne	ref	ACAARO	[NH3+]Cc1cccnc1	world
N=C(O)c1cnccn1	ZINC000000002005	14/31/58/169143158	IPEHBUMCGVEMRF-UHFFFAOYSA-N	0	123.115	AC	0.36	0	Anodyne	ref	ACAARN	NC(=O)c1cnccn1	fda metabolite
CN(C)C(=O)Oc1ccc[n+](C)c1	ZINC000000002009	92/37/46/342923746	RVOLLAQWKVFTGE-UHFFFAOYSA-N	1	181.215	AC	0.571	0	Anodyne	ref	ACAARO	CN(C)C(=O)Oc1ccc[n+](C)c1	fda
OCc1ccccc1O	ZINC000000002054	43/94/42/169439442	CQRYARSYNCAZFO-UHFFFAOYSA-N	0	124.139	AC	0.884	0	Anodyne	ref	ACAARN	OCc1ccccc1O	in-man biogenic
NC(=O)c1ccccc1O	ZINC000000002055	92/36/57/342923657	SKZKKFZAGNVIMN-UHFFFAOYSA-N	-1	137.138	AC	0.491	3	Anodyne	high	ACAAHM	NC(=O)c1ccccc1[O-]	fda
NC(=O)c1ccccc1O	ZINC000000002055	92/36/56/342923656	SKZKKFZAGNVIMN-UHFFFAOYSA-N	0	137.138	AC	0.491	0	Anodyne	ref	ACAARN	NC(=O)c1ccccc1O	fda
NCCc1ccc(O)cc1	ZINC000000002233	19/76/02/169197602	DZGWFCGJZKJUFP-UHFFFAOYSA-N	1	137.182	AC	0.893	0	Anodyne	ref	ACAARO	[NH3+]CCc1ccc(O)cc1	world endogenous
N[C@H](Cc1ccc(O)cc1)C(=O)O	ZINC000000002234	41/09/28/574410928	OUYCCCASQSFEME-MRVPVSSYSA-N	0	181.191	AC	0.347	0	Anodyne	ref	ACAARN	[NH3+][C@H](Cc1ccc(O)cc1)C(=O)[O-]	endogenous in-vivo
NC(=O)c1cccnc1	ZINC000000005878	92/36/67/342923667	DFPAKSUCGFBDDF-UHFFFAOYSA-N	0	122.127	AC	0.181	0	Anodyne	ref	ACAARN	NC(=O)c1cccnc1	fda endogenous
Cc1c(O)c(=O)ccn1C	ZINC000000006226	92/36/86/342923686	TZXKOCQBRNJULO-UHFFFAOYSA-N	0	139.154	AC	0.399	0	Anodyne	ref	ACAARN	Cc1c(O)c(=O)ccn1C	fda
O=C(O)CCNC(=O)c1ccccc1	ZINC000000012614	33/84/31/169338431	CWXYHOHYCJXYFQ-UHFFFAOYSA-N	-1	193.202	AC	0.891	0	Anodyne	ref	ACAARM	O=C([O-])CCNC(=O)c1ccccc1	world endogenous
O=Cc1ccc(O)c(O)c1	ZINC000000013245	26/78/36/351267836	IBGBGRVKPALMCQ-UHFFFAOYSA-N	-1	138.122	AC	0.91	1	Clean	mid	ACCAMM	O=Cc1ccc([O-])c(O)c1	in-man biogenic
O=Cc1ccc(O)c(O)c1	ZINC000000013245	26/78/28/351267828	IBGBGRVKPALMCQ-UHFFFAOYSA-N	0	138.122	AC	0.91	0	Clean	ref	ACCARN	O=Cc1ccc(O)c(O)c1	in-man biogenic
O=C(O)c1ccc(O)c(O)c1	ZINC000000013246	35/83/59/169358359	YQUVCSBJEUQKSH-UHFFFAOYSA-N	-1	154.121	AC	0.796	0	Clean	ref	ACCARM	O=C([O-])c1ccc(O)c(O)c1	in-man endogenous
C[C@@H](N)[C@@H](O)c1cccc(O)c1	ZINC000000018079	36/64/21/168366421	WXFIGDLSSYIKKV-HZGVNTEJSA-N	1	167.208	AC	0.773	0	Anodyne	ref	ACAARO	C[C@@H]([NH3+])[C@@H](O)c1cccc(O)c1	in-vitro
COC(=O)c1cc(O)c(O)c(O)c1	ZINC000000021789	12/88/36/168128836	FBSFWRHWHYMIOG-UHFFFAOYSA-N	-1	184.147	AC	0.59	3	Clean	high	ACCAHM	COC(=O)c1cc(O)c([O-])c(O)c1	in-vitro biogenic
COC(=O)c1cc(O)c(O)c(O)c1	ZINC000000021789	12/88/33/168128833	FBSFWRHWHYMIOG-UHFFFAOYSA-N	0	184.147	AC	0.59	0	Clean	ref	ACCARN	COC(=O)c1cc(O)c(O)c(O)c1	in-vitro biogenic
CCOC(=O)c1cc(O)c(O)c(O)c1	ZINC000000021790	36/81/28/167368128	VFPFQHQNJCMNBZ-UHFFFAOYSA-N	-1	198.174	AC	0.98	3	Clean	high	ACCAHM	CCOC(=O)c1cc(O)c([O-])c(O)c1	in-man endogenous
CCOC(=O)c1cc(O)c(O)c(O)c1	ZINC000000021790	36/81/18/167368118	VFPFQHQNJCMNBZ-UHFFFAOYSA-N	0	198.174	AC	0.98	0	Clean	ref	ACCARN	CCOC(=O)c1cc(O)c(O)c(O)c1	in-man endogenous
NCCc1ccc(O)c(O)c1	ZINC000000033882	19/81/66/169198166	VYFYYTLLBUKUHU-UHFFFAOYSA-N	1	153.181	AC	0.599	0	Clean	ref	ACCARO	[NH3+]CCc1ccc(O)c(O)c1	fda endogenous
CNC[C@H](O)c1ccc(O)c(O)c1	ZINC000000039089	01/32/76/168013276	UCTWMZQNUQWSLP-VIFPVBQESA-N	1	183.207	AC	0.351	0	Clean	ref	ACCARO	C[NH2+]C[C@H](O)c1ccc(O)c(O)c1	fda endogenous
CNC[C@@H](O)c1ccc(O)c(O)c1	ZINC000000039090	00/67/86/168006786	UCTWMZQNUQWSLP-SECBINFHSA-N	1	183.207	AC	0.351	0	Clean	ref	ACCARO	C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	investigational biogenic
Cc1ncc(CO)c(CO)c1O	ZINC000000049154	96/61/56/168966156	LXNHXLLTXMVWPM-UHFFFAOYSA-N	0	169.18	AC	0.08	0	Anodyne	ref	ACAARN	Cc1ncc(CO)c(CO)c1O	fda endogenous
NC[C@@H](O)c1ccc(O)c(O)c1	ZINC000000057623	20/52/91/169205291	SFLSHLFXELFNJZ-MRVPVSSYSA-N	1	169.18	AC	0.09	0	Clean	ref	ACCARO	[NH3+]C[C@@H](O)c1ccc(O)c(O)c1	investigational endogenous
NC[C@H](O)c1ccc(O)c(O)c1	ZINC000000057624	21/42/26/169214226	SFLSHLFXELFNJZ-QMMMGPOBSA-N	1	169.18	AC	0.09	0	Clean	ref	ACCARO	[NH3+]C[C@H](O)c1ccc(O)c(O)c1	fda endogenous
N[C@@H](Cc1ccccc1)C(=O)O	ZINC000000105196	24/83/09/169248309	COLNVLDHVKWLRT-QMMMGPOBSA-N	0	165.192	AC	0.641	0	Anodyne	ref	ACAARN	[NH3+][C@@H](Cc1ccccc1)C(=O)[O-]	fda endogenous
CNC[C@H](O)c1cccc(O)c1	ZINC000000113355	01/30/31/168013031	SONNWYBIRXJNDC-VIFPVBQESA-N	1	167.208	AC	0.645	0	Anodyne	ref	ACAARO	C[NH2+]C[C@H](O)c1cccc(O)c1	fda biogenic
CNC[C@@H](O)c1cccc(O)c1	ZINC000000113359	00/76/49/168007649	SONNWYBIRXJNDC-SECBINFHSA-N	1	167.208	AC	0.645	0	Anodyne	ref	ACAARO	C[NH2+]C[C@@H](O)c1cccc(O)c1	in-man biogenic
Cc1ncc([N+](=O)[O-])n1CCO	ZINC000000113442	96/78/54/168967854	VAOCPAMSLUNLGC-UHFFFAOYSA-N	0	171.156	AC	0.092	0	Bother	ref	ACBARN	Cc1ncc([N+](=O)[O-])n1CCO	fda
CC(C)(S)[C@H](N)C(=O)O	ZINC000000114124	27/04/37/351270437	VVNCNSJFMMFHPL-GSVOUGTGSA-N	0	149.215	AC	0.107	0	Mild	ref	ACEARN	CC(C)(S)[C@H]([NH3+])C(=O)[O-]	fda metabolite
CC(C)(S)[C@@H](N)C(=O)O	ZINC000000114127	27/07/19/351270719	VVNCNSJFMMFHPL-VKHMYHEASA-N	0	149.215	AC	0.107	0	Mild	ref	ACEARN	CC(C)(S)[C@@H]([NH3+])C(=O)[O-]	fda metabolite
Nc1ccc(C(=O)NCC(=O)O)cc1	ZINC000000119344	29/13/42/169291342	HSMNQINEKMPTIC-UHFFFAOYSA-N	-1	194.19	AC	0.083	0	Anodyne	ref	ACAARM	Nc1ccc(C(=O)NCC(=O)[O-])cc1	fda endogenous
CC(=O)N[C@@H](CC(C)C)C(=O)O	ZINC000000135384	27/86/56/166278656	WXNXCEHXYPACJF-ZETCQYMHSA-N	-1	173.212	AC	0.622	0	Anodyne	ref	ACAARM	CC(=O)N[C@@H](CC(C)C)C(=O)[O-]	world endogenous
COC1=CC(=O)C=C(OC)C1=O	ZINC000000137119	99/16/26/170991626	OLBNOBQOQZRLMP-UHFFFAOYSA-N	0	168.148	AC	0.199	0	Mild	ref	ACEARN	COC1=CC(=O)C=C(OC)C1=O	in-man endogenous
O=C(O)Cc1cccnc1	ZINC000000152270	34/43/04/169344304	WGNUNYPERJMVRM-UHFFFAOYSA-N	-1	137.138	AC	0.709	0	Anodyne	ref	ACAARM	O=C([O-])Cc1cccnc1	in-man endogenous
NC(=O)c1ccccc1	ZINC000000152996	99/20/27/170992027	KXDAEFPNCMNJSK-UHFFFAOYSA-N	0	121.139	AC	0.786	0	Anodyne	ref	ACAARN	NC(=O)c1ccccc1	in-man endogenous
NC(=S)c1ccncc1	ZINC000000154867	16/81/81/169168181	KPIIGXWUNXGGCP-UHFFFAOYSA-N	0	138.195	AC	0.716	2	Anodyne	low	ACAALN	NC(=S)c1ccncc1	in-vitro
Cc1ccccc1OC[C@@H](O)CO	ZINC000000154957	92/90/21/342929021	JWDYCNIAQWPBHD-VIFPVBQESA-N	0	182.219	AC	0.727	0	Anodyne	ref	ACAARN	Cc1ccccc1OC[C@@H](O)CO	in-man
CCOC(=O)N1CCC(=O)CC1	ZINC000000155166	33/99/25/167339925	LUBGFMZTGFXIIN-UHFFFAOYSA-N	0	171.196	AC	0.808	0	Anodyne	ref	ACAARN	CCOC(=O)N1CCC(=O)CC1	in-vitro
COc1cc([C@H](O)C(=O)O)ccc1O	ZINC000000155973	23/89/09/168238909	CGQCWMIAEPEHNQ-QMMMGPOBSA-N	-1	198.174	AC	0.519	0	Anodyne	ref	ACAARM	COc1cc([C@H](O)C(=O)[O-])ccc1O	in-man aggregator endogenous
COc1cc([C@@H](O)C(=O)O)ccc1O	ZINC000000155974	23/96/95/168239695	CGQCWMIAEPEHNQ-MRVPVSSYSA-N	-1	198.174	AC	0.519	0	Anodyne	ref	ACAARM	COc1cc([C@@H](O)C(=O)[O-])ccc1O	aggregator in-vitro biogenic
[O-][n+]1ccccc1S	ZINC000000156822	92/92/66/342929266	FGVVTMRZYROCTH-UHFFFAOYSA-N	-1	127.168	AC	0.609	0	Anodyne	ref	ACAARM	[O-][n+]1ccccc1[S-]	in-man
COC(=O)c1cc(O)cc(O)c1	ZINC000000156974	12/81/02/168128102	RNVFYQUEEMZKLR-UHFFFAOYSA-N	0	168.148	AC	0.884	0	Anodyne	ref	ACAARN	COC(=O)c1cc(O)cc(O)c1	in-vitro biogenic
O=C(O)c1ncccc1O	ZINC000000157108	92/93/28/342929328	BRARRAHGNDUELT-UHFFFAOYSA-N	0	139.11	AC	0.485	2	Anodyne	low	ACAALN	O=C([O-])c1[nH+]cccc1O	in-man endogenous
O=C(O)c1ncccc1O	ZINC000000157108	92/93/26/342929326	BRARRAHGNDUELT-UHFFFAOYSA-N	-1	139.11	AC	0.485	1	Anodyne	mid	ACAAMM	O=C([O-])c1[nH+]cccc1[O-]	in-man endogenous
O=C(O)c1ncccc1O	ZINC000000157108	92/93/25/342929325	BRARRAHGNDUELT-UHFFFAOYSA-N	-1	139.11	AC	0.485	0	Anodyne	ref	ACAARM	O=C([O-])c1ncccc1O	in-man endogenous
NC(=O)c1cccc(N)c1	ZINC000000157165	99/21/12/170992112	GSCPDZHWVNUUFI-UHFFFAOYSA-N	0	136.154	AC	0.368	0	Anodyne	ref	ACAARN	NC(=O)c1cccc(N)c1	in-vivo
CC(C)CC(N)=O	ZINC000000158116	27/15/29/351271529	SANOUVWGPVYVAV-UHFFFAOYSA-N	0	101.149	AC	0.518	0	Anodyne	ref	ACAARN	CC(C)CC(N)=O	investigational
OCc1ccccn1	ZINC000000158585	43/94/66/169439466	SHNUBALDGXWUJI-UHFFFAOYSA-N	0	109.128	AC	0.574	0	Anodyne	ref	ACAARN	OCc1ccccn1	world
O=C1NC(=O)[C@H](c2ccccc2)N1	ZINC000000161829	93/01/37/342930137	NXQJDVBMMRCKQG-ZETCQYMHSA-N	-1	176.175	AC	0.567	3	Anodyne	high	ACAAHM	O=C1[N-]C(=O)[C@H](c2ccccc2)N1	in-vitro metabolite
O=C1NC(=O)[C@H](c2ccccc2)N1	ZINC000000161829	93/01/35/342930135	NXQJDVBMMRCKQG-ZETCQYMHSA-N	0	176.175	AC	0.567	0	Anodyne	ref	ACAARN	O=C1NC(=O)[C@H](c2ccccc2)N1	in-vitro metabolite
O=C1NC(=O)[C@@H](c2ccccc2)N1	ZINC000000161833	93/02/12/342930212	NXQJDVBMMRCKQG-SSDOTTSWSA-N	-1	176.175	AC	0.567	3	Anodyne	high	ACAAHM	O=C1[N-]C(=O)[C@@H](c2ccccc2)N1	in-vitro metabolite
O=C1NC(=O)[C@@H](c2ccccc2)N1	ZINC000000161833	93/02/11/342930211	NXQJDVBMMRCKQG-SSDOTTSWSA-N	0	176.175	AC	0.567	0	Anodyne	ref	ACAARN	O=C1NC(=O)[C@@H](c2ccccc2)N1	in-vitro metabolite
COc1cc(CO)ccc1O	ZINC000000164388	23/37/97/168233797	ZENOXNGFMSCLLL-UHFFFAOYSA-N	0	154.165	AC	0.893	0	Anodyne	ref	ACAARN	COc1cc(CO)ccc1O	investigational endogenous
NS(=O)(=O)C#Cc1ccccc1	ZINC000000164402	24/12/33/169241233	ZZUZYEMRHCMVTB-UHFFFAOYSA-N	0	181.216	AC	0.284	0	Mild	ref	ACEARN	NS(=O)(=O)C#Cc1ccccc1	in-vitro
OCCc1ccc(O)cc1	ZINC000000164581	27/24/36/351272436	YCCILVSKPBXVIP-UHFFFAOYSA-N	0	138.166	AC	0.927	0	Anodyne	ref	ACAARN	OCCc1ccc(O)cc1	in-man endogenous
N[C@@H](Cc1ccc(O)cc1)C(=O)O	ZINC000000266964	24/83/13/169248313	OUYCCCASQSFEME-QMMMGPOBSA-N	0	181.191	AC	0.347	0	Anodyne	ref	ACAARN	[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)[O-]	fda endogenous
NS(=O)(=O)c1ccccc1	ZINC000000330150	24/22/33/169242233	KHBQMWCZKVMBLN-UHFFFAOYSA-N	0	157.194	AC	0.334	0	Anodyne	ref	ACAARN	NS(=O)(=O)c1ccccc1	in-vivo
NC(=O)c1ccccn1	ZINC000000388048	27/69/12/351276912	IBBMAWULFFBRKK-UHFFFAOYSA-N	0	122.127	AC	0.18	0	Anodyne	ref	ACAARN	NC(=O)c1ccccn1	in-vitro
C[C@H](O)CC(C)(C)O	ZINC000000388075	93/56/78/342935678	SVTBMSDMJJWYQN-YFKPBYRVSA-N	0	118.176	AC	0.528	0	Anodyne	ref	ACAARN	C[C@H](O)CC(C)(C)O	world
NC[C@H](O)c1ccc(O)cc1	ZINC000000388198	21/42/25/169214225	QHGUCRYDKWKLMG-QMMMGPOBSA-N	1	153.181	AC	0.384	0	Anodyne	ref	ACAARO	[NH3+]C[C@H](O)c1ccc(O)cc1	world endogenous
CC[C@@H](C)[C@H](N)C(=O)O	ZINC000000388312	41/10/03/574411003	AGPKZVBTJJNPAG-UHNVWZDZSA-N	0	131.175	AC	0.444	0	Anodyne	ref	ACAARN	CC[C@@H](C)[C@H]([NH3+])C(=O)[O-]	in-man endogenous
CC[C@@H](C)[C@@H](N)C(=O)O	ZINC000000388313	41/09/91/574410991	AGPKZVBTJJNPAG-RFZPGFLSSA-N	0	131.175	AC	0.444	0	Anodyne	ref	ACAARN	CC[C@@H](C)[C@@H]([NH3+])C(=O)[O-]	in-man endogenous
CC[C@H](C)[C@@H](N)C(=O)O	ZINC000000388314	41/09/86/574410986	AGPKZVBTJJNPAG-CRCLSJGQSA-N	0	131.175	AC	0.444	0	Anodyne	ref	ACAARN	CC[C@H](C)[C@@H]([NH3+])C(=O)[O-]	in-man endogenous
O=C(O)c1cc(O)cc(O)c1	ZINC000000388546	35/64/46/169356446	UYEMGAFJOZZIFP-UHFFFAOYSA-N	-1	154.121	AC	0.796	0	Anodyne	ref	ACAARM	O=C([O-])c1cc(O)cc(O)c1	in-man endogenous
NC(=O)c1ccncc1	ZINC000000391130	93/64/04/342936404	VFQXVTODMYMSMJ-UHFFFAOYSA-N	0	122.127	AC	0.18	0	Anodyne	ref	ACAARN	NC(=O)c1ccncc1	in-vitro
OC[C@@H](O)c1ccccc1	ZINC000000391852	27/75/31/351277531	PWMWNFMRSKOCEY-MRVPVSSYSA-N	0	138.166	AC	0.712	0	Anodyne	ref	ACAARN	OC[C@@H](O)c1ccccc1	in-vitro biogenic
OC[C@H](O)c1ccccc1	ZINC000000391853	27/76/29/351277629	PWMWNFMRSKOCEY-QMMMGPOBSA-N	0	138.166	AC	0.712	0	Anodyne	ref	ACAARN	OC[C@H](O)c1ccccc1	in-vitro biogenic
O=C(O)c1ccnc(C(=O)O)c1	ZINC000000391915	99/47/78/170994778	MJIVRKPEXXHNJT-UHFFFAOYSA-N	-2	167.12	AC	0.478	0	Anodyne	ref	ACAARL	O=C([O-])c1ccnc(C(=O)[O-])c1	in-vivo
N[C@@H](Cc1ccccc1O)C(=O)O	ZINC000000392004	24/69/99/169246999	WRFPVMFCRNYQNR-ZETCQYMHSA-N	0	181.191	AC	0.347	0	Anodyne	ref	ACAARN	[NH3+][C@@H](Cc1ccccc1O)C(=O)[O-]	in-man endogenous
N[C@H](Cc1ccccc1O)C(=O)O	ZINC000000392005	26/77/34/169267734	WRFPVMFCRNYQNR-SSDOTTSWSA-N	0	181.191	AC	0.347	0	Anodyne	ref	ACAARN	[NH3+][C@H](Cc1ccccc1O)C(=O)[O-]	in-man endogenous
COc1ccccc1OC[C@@H](O)CO	ZINC000000394284	93/70/84/342937084	HSRJKNPTNIJEKV-QMMMGPOBSA-N	0	198.218	AC	0.427	0	Anodyne	ref	ACAARN	COc1ccccc1OC[C@@H](O)CO	fda biogenic
CC(C)(O)CC(=O)O	ZINC000000395642	67/93/15/571679315	AXFYFNCPONWUHW-UHFFFAOYSA-N	-1	118.132	AC	0.232	0	Anodyne	ref	ACAARM	CC(C)(O)CC(=O)[O-]	in-man endogenous
CNC[C@H](O)c1ccc(O)cc1	ZINC000000403588	01/31/07/168013107	YRCWQPVGYLYSOX-VIFPVBQESA-N	1	167.208	AC	0.645	0	Anodyne	ref	ACAARO	C[NH2+]C[C@H](O)c1ccc(O)cc1	world endogenous
C=C[C@H](N)CCC(=O)O	ZINC000000403618	22/01/60/166220160	PJDFLNIOAUIZSL-YFKPBYRVSA-N	0	129.159	AC	0.365	0	Mild	ref	ACEARN	C=C[C@H]([NH3+])CCC(=O)[O-]	fda
O=C(O)C1(C(=O)O)CCC1	ZINC000000404340	93/84/73/342938473	CCQPAEQGAVNNIA-UHFFFAOYSA-N	-1	144.126	AC	0.326	2	Anodyne	low	ACAALM	O=C([O-])C1(C(=O)O)CCC1	investigational
O=C(O)C1(C(=O)O)CCC1	ZINC000000404340	93/84/70/342938470	CCQPAEQGAVNNIA-UHFFFAOYSA-N	-2	144.126	AC	0.326	0	Anodyne	ref	ACAARL	O=C([O-])C1(C(=O)[O-])CCC1	investigational