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
N[C@@H](C(=O)O)c1ccccc1	ZINC000000154476	24/24/81/169242481	ZGUNAGUHMKGQNY-SSDOTTSWSA-N	-1	151.165	AC	0.771	3	Anodyne	high	ACAAHM	N[C@@H](C(=O)[O-])c1ccccc1	in-man endogenous
N[C@@H](C(=O)O)c1ccccc1	ZINC000000154476	24/24/79/169242479	ZGUNAGUHMKGQNY-SSDOTTSWSA-N	0	151.165	AC	0.771	0	Anodyne	ref	ACAARN	[NH3+][C@@H](C(=O)[O-])c1ccccc1	in-man endogenous
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
NC(=O)Cc1ccc(O)cc1	ZINC000000157085	15/53/58/169155358	YBPAYPRLUDCSEY-UHFFFAOYSA-N	0	151.165	AC	0.42	0	Anodyne	ref	ACAARN	NC(=O)Cc1ccc(O)cc1	in-vitro biogenic
NNc1ccc(C(=O)O)cc1	ZINC000000157417	23/73/82/169237382	PCNFLKVWBDNNOW-UHFFFAOYSA-N	-1	152.153	AC	0.67	0	Anodyne	ref	ACAARM	NNc1ccc(C(=O)[O-])cc1	in-vitro
CCOC(=O)C1(C(=O)OCC)CC1	ZINC000000162383	32/26/72/167322672	KYYUCZOHNYSLFV-UHFFFAOYSA-N	0	186.207	AC	0.893	0	Anodyne	ref	ACAARN	CCOC(=O)C1(C(=O)OCC)CC1	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
CCCc1nn(C)c(C(N)=O)c1N	ZINC000000168940	93/08/07/342930807	PZMXDLWWQHYXGY-UHFFFAOYSA-N	0	182.227	AC	0.054	0	Anodyne	ref	ACAARN	CCCc1nn(C)c(C(N)=O)c1N	in-vitro
OCc1ccc(O)cc1	ZINC000000388762	43/86/16/169438616	BVJSUAQZOZWCKN-UHFFFAOYSA-N	0	124.139	AC	0.885	0	Anodyne	ref	ACAARN	OCc1ccc(O)cc1	in-man endogenous
CC(C)C[C@H](NC=O)C(=O)O	ZINC000000402913	41/10/46/574411046	HFBHOAHFRNLZGN-LURJTMIESA-N	-1	159.185	AC	0.232	0	Anodyne	ref	ACAARM	CC(C)C[C@H](NC=O)C(=O)[O-]	in-vitro endogenous
CC(C)NCC(O)CNC(C)C	ZINC000001709078	96/09/93/342960993	KUKNLWUAKYIWDI-UHFFFAOYSA-N	1	174.288	AC	0.343	3	Anodyne	high	ACABHO	CC(C)NCC(O)C[NH2+]C(C)C	in-vitro
CC(C)NCC(O)CNC(C)C	ZINC000001709078	96/09/92/342960992	KUKNLWUAKYIWDI-UHFFFAOYSA-N	2	174.288	AC	0.343	0	Anodyne	ref	ACABRP	CC(C)[NH2+]CC(O)C[NH2+]C(C)C	in-vitro
CN(C)Cc1nc(CO)cs1	ZINC000002204453	97/08/06/342970806	BIEFSXASVIQOOS-UHFFFAOYSA-N	1	172.253	AC	0.697	2	Anodyne	low	ACAALO	C[NH+](C)Cc1nc(CO)cs1	in-vitro
CN(C)Cc1nc(CO)cs1	ZINC000002204453	97/08/05/342970805	BIEFSXASVIQOOS-UHFFFAOYSA-N	1	172.253	AC	0.697	0	Anodyne	ref	ACAARO	CN(C)Cc1nc(CO)cs1	in-vitro
O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1	ZINC000002555638	34/98/27/169349827	CQYBNXGHMBNGCG-CSMHCCOUSA-N	0	169.224	AC	0.992	0	Anodyne	ref	ACAARN	O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1	in-vitro
C[C@H](CS)C(=O)O	ZINC000002567310	53/73/33/168537333	MHRDCHHESNJQIS-GSVOUGTGSA-N	-1	120.173	AC	0.637	0	Mild	ref	ACEARM	C[C@H](CS)C(=O)[O-]	in-vitro
CCOC(=O)c1cn[nH]c1N	ZINC000004261766	37/58/93/167375893	YPXGHKWOJXQLQU-UHFFFAOYSA-N	0	155.157	AC	0.169	0	Anodyne	ref	ACAARN	CCOC(=O)c1c[nH]nc1N	in-vitro
O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1	ZINC000004899687	34/94/61/169349461	CQYBNXGHMBNGCG-FXQIFTODSA-N	0	169.224	AC	0.992	0	Anodyne	ref	ACAARN	O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	in-vivo
O=c1cccc[nH]1	ZINC000008737707	41/94/93/169419493	UBQKCCHYAOITMY-UHFFFAOYSA-N	0	95.101	AC	0.375	0	Anodyne	ref	ACAARN	O=c1cccc[nH]1	in-man endogenous
NNc1nncc2ccccc12	ZINC000012360535	24/00/89/169240089	RPTUSVTUFVMDQK-UHFFFAOYSA-N	0	160.18	AC	0.915	3	Anodyne	high	ACAAHN	NNc1nncc2ccccc12	fda
NNc1nncc2ccccc12	ZINC000012360535	24/00/88/169240088	RPTUSVTUFVMDQK-UHFFFAOYSA-N	0	160.18	AC	0.915	3	Anodyne	high	ACAAHN	NN=c1[nH]ncc2ccccc12	fda
NNc1nncc2ccccc12	ZINC000012360535	24/00/86/169240086	RPTUSVTUFVMDQK-UHFFFAOYSA-N	1	160.18	AC	0.915	0	Anodyne	ref	ACAARO	NNc1[nH+]ncc2ccccc12	fda
CC[C@@H](C(=O)O)N1CCCC1=O	ZINC000013559003	44/67/65/167446765	IODGAONBTQRGGG-LURJTMIESA-N	-1	171.196	AC	0.472	0	Anodyne	ref	ACAARM	CC[C@@H](C(=O)[O-])N1CCCC1=O	in-vitro
COC(=O)/C=C(\C)N	ZINC000015975165	07/71/27/168077127	XKORCTIIRYKLLG-ONEGZZNKSA-N	0	115.132	AC	0.022	0	Anodyne	ref	ACAARN	COC(=O)C=C(C)N	in-vitro
COc1ccnc(CO)c1OC	ZINC000016125285	28/04/54/168280454	BKTHTLOKUUJKDF-UHFFFAOYSA-N	1	169.18	AC	0.591	2	Anodyne	low	ACAALO	COc1cc[nH+]c(CO)c1OC	in-vitro
COc1ccnc(CO)c1OC	ZINC000016125285	28/04/51/168280451	BKTHTLOKUUJKDF-UHFFFAOYSA-N	0	169.18	AC	0.591	0	Anodyne	ref	ACAARN	COc1ccnc(CO)c1OC	in-vitro
COC(CCCN(C)C)OC	ZINC000016696704	14/06/86/168140686	WDZKKBDOGYBYBG-UHFFFAOYSA-N	1	161.245	AC	0.947	0	Anodyne	ref	ACAARO	COC(CCC[NH+](C)C)OC	in-vitro
O=c1[nH]ncc2ccccc12	ZINC000016890049	03/12/74/171031274	IJAPPYDYQCXOEF-UHFFFAOYSA-N	0	146.149	AC	0.923	0	Anodyne	ref	ACAARN	O=c1[nH]ncc2ccccc12	in-vitro
CC[C@H](C(=O)O)N1CCCC1=O	ZINC000022005970	07/77/10/343077710	IODGAONBTQRGGG-ZCFIWIBFSA-N	-1	171.196	AC	0.472	0	Anodyne	ref	ACAARM	CC[C@H](C(=O)[O-])N1CCCC1=O	in-vitro
CCOC(=O)c1cn[nH]c1NC=O	ZINC000067664819	37/62/62/167376262	VAEIHNPPOAVFAR-UHFFFAOYSA-N	-1	183.167	AC	0.155	3	Anodyne	high	ACAAHM	CCOC(=O)c1c[n-]nc1NC=O	in-vitro
CCOC(=O)c1cn[nH]c1NC=O	ZINC000067664819	37/62/58/167376258	VAEIHNPPOAVFAR-UHFFFAOYSA-N	0	183.167	AC	0.155	0	Anodyne	ref	ACAARN	CCOC(=O)c1c[nH]nc1NC=O	in-vitro
CNC1=NCCS/C1=N/O	ZINC000100071379	71/04/11/343710411	IFDRXBBBALHODS-VMPITWQZSA-N	1	159.214	AC	0.139	2	Mild	low	ACEALO	CNC1=[NH+]CCS/C1=N/O	in-vitro
CNC1=NCCS/C1=N/O	ZINC000100071379	71/04/07/343710407	IFDRXBBBALHODS-VMPITWQZSA-N	0	159.214	AC	0.139	0	Mild	ref	ACEARN	CNC1=NCCS/C1=N/O	in-vitro