Nc1nc(N)c2nc(CO)cnc2n1	ZINC000000039586	30/54/96/169305496	CYNARAWTVHQHDI-UHFFFAOYSA-N	0	192.182	AB	-0.924	0	Anodyne	ref	ABAARN	Nc1nc(N)c2nc(CO)cnc2n1	in-vitro
CC1(C)COC(=O)[C@@H]1O	ZINC000000155364	92/89/24/342928924	SERHXTVXHNVDKA-BYPYZUCNSA-N	0	130.143	AB	-0.07	0	Anodyne	ref	ABAARN	CC1(C)COC(=O)[C@@H]1O	in-man metabolite
N[C@@H](CS)C(=O)O	ZINC000000895042	24/62/22/169246222	XUJNEKJLAYXESH-REOHCLBHSA-N	0	121.161	AB	-0.672	0	Mild	ref	ABEARN	[NH3+][C@@H](CS)C(=O)[O-]	fda endogenous
C[C@@H]1O[C@@H]1P(=O)(O)O	ZINC000001530427	28/63/29/351286329	YMDXZJFXQJVXBF-STHAYSLISA-N	-2	138.059	AB	-0.091	1	Mild	mid	ABEAML	C[C@@H]1O[C@@H]1P(=O)([O-])[O-]	fda metabolite
C[C@@H]1O[C@@H]1P(=O)(O)O	ZINC000001530427	28/63/27/351286327	YMDXZJFXQJVXBF-STHAYSLISA-N	-2	138.059	AB	-0.091	1	Mild	mid	ABEAML	C[C@@H]1O[C@@H]1[P@](=O)([O-])O	fda metabolite
C[C@@H]1O[C@@H]1P(=O)(O)O	ZINC000001530427	28/63/26/351286326	YMDXZJFXQJVXBF-STHAYSLISA-N	-1	138.059	AB	-0.091	0	Mild	ref	ABEARM	C[C@@H]1O[C@@H]1[P@@](=O)([O-])O	fda metabolite
CC[C@@H](C(N)=O)N1CCCC1=O	ZINC000001547851	28/69/97/351286997	HPHUVLMMVZITSG-LURJTMIESA-N	0	170.212	AB	-0.127	0	Anodyne	ref	ABAARN	CC[C@@H](C(N)=O)N1CCCC1=O	fda
CC(C)NC[C@@H](O)CO	ZINC000002560751	97/69/22/342976922	YKBZGEJJKPNRSI-ZCFIWIBFSA-N	1	133.191	AB	-0.662	0	Anodyne	ref	ABAARO	CC(C)[NH2+]C[C@@H](O)CO	in-vitro
CC(C)NC[C@H](O)CO	ZINC000002560752	54/20/83/166542083	YKBZGEJJKPNRSI-LURJTMIESA-N	1	133.191	AB	-0.662	0	Anodyne	ref	ABAARO	CC(C)[NH2+]C[C@H](O)CO	in-vitro
CC(=O)N[C@@H](CS)C(=O)O	ZINC000003589203	27/94/36/166279436	PWKSKIMOESPYIA-BYPYZUCNSA-N	-1	163.198	AB	-0.494	0	Mild	ref	ABEARM	CC(=O)N[C@@H](CS)C(=O)[O-]	fda endogenous
CC[C@H](C(N)=O)N1CCCC1=O	ZINC000003830990	98/48/19/342984819	HPHUVLMMVZITSG-ZCFIWIBFSA-N	0	170.212	AB	-0.127	0	Anodyne	ref	ABAARN	CC[C@H](C(N)=O)N1CCCC1=O	fda
O=C1CSC(=O)N1	ZINC000008554292	37/97/89/169379789	ZOBPZXTWZATXDG-UHFFFAOYSA-N	0	117.129	AB	-0.031	2	Anodyne	low	ABAALN	O=C1CSC(=O)N1	investigational
O=C1CSC(=O)N1	ZINC000008554292	37/97/87/169379787	ZOBPZXTWZATXDG-UHFFFAOYSA-N	-1	117.129	AB	-0.031	0	Anodyne	ref	ABAARM	O=C1CSC(=O)[N-]1	investigational
O=c1[nH]cnc2[nH]ncc12	ZINC000013298313	36/85/95/351368595	OFCNXPDARWKPPY-UHFFFAOYSA-N	0	136.114	AB	-0.354	1	Anodyne	mid	ABAAMN	O=c1[nH]cnc2n[nH]cc12	fda
O=c1[nH]cnc2[nH]ncc12	ZINC000013298313	36/85/87/351368587	OFCNXPDARWKPPY-UHFFFAOYSA-N	0	136.114	AB	-0.354	0	Anodyne	ref	ABAARN	O=c1[nH]cnc2[nH]ncc12	fda
O=c1cc(CO)occ1O	ZINC000013831818	37/20/56/351372056	BEJNERDRQOWKJM-UHFFFAOYSA-N	0	142.11	AB	-0.162	0	Anodyne	ref	ABAARN	O=c1cc(CO)occ1O	world endogenous
NC(=O)c1cn[nH]c1N	ZINC000017039868	03/08/56/171030856	LEFSNWUSTYESGC-UHFFFAOYSA-N	0	126.119	AB	-0.909	0	Anodyne	ref	ABAARN	NC(=O)c1c[nH]nc1N	in-vitro
N#Cc1cn[nH]c1N	ZINC000018217608	12/83/61/169128361	FFNKBQRKZRMYCL-UHFFFAOYSA-N	0	108.104	AB	-0.136	0	Mild	ref	ABEARN	N#Cc1c[nH]nc1N	in-vitro
C/C=C/C(O)O	ZINC000033802096	05/16/23/171051623	YOUHVVBPILYPKM-NSCUHMNNSA-N	0	88.106	AB	-0.127	0	Anodyne	ref	ABABRN	C/C=C/C(O)O	in-vitro
CN(C)CC(N)=S	ZINC000054965167	33/26/42/343332642	GQGHFSJGSKEKJZ-UHFFFAOYSA-N	1	118.205	AB	-0.166	0	Anodyne	ref	ABAARO	C[NH+](C)CC(N)=S	in-vitro
NC(=O)c1cn[nH]c1NC=O	ZINC000067664815	10/48/49/171104849	MKVXRGIJTKYXPR-UHFFFAOYSA-N	0	154.129	AB	-0.923	0	Anodyne	ref	ABAARN	NC(=O)c1c[nH]nc1NC=O	in-vitro
NC(=O)c1c[nH]nc1-n1cnnc1	ZINC000067664817	16/37/95/169163795	LMEGOYJADZSMBE-UHFFFAOYSA-N	0	178.155	AB	-0.911	0	Anodyne	ref	ABAARN	NC(=O)c1c[nH]nc1-n1cnnc1	in-vitro
C/C=C(\C(N)=O)N1CCCC1=O	ZINC000067665158	05/94/72/166059472	ZGHRUXLFLIMTAG-QHHAFSJGSA-N	0	168.196	AB	-0.002	0	Anodyne	ref	ABABRN	C/C=C(\C(N)=O)N1CCCC1=O	in-vitro