Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1	ZINC000000001505	50/29/82/169502982	IRSCQMHQWWYFCW-UHFFFAOYSA-N	0	255.234	CA	-1.971	0	Anodyne	ref	CAAARN	Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1	fda
Nc1ncnc2c1ncn2[C@H]1C=C(CO)[C@H](O)[C@@H]1O	ZINC000000001793	23/86/30/373238630	XUGWUUDOWNZAGW-CNUIFLNQSA-N	0	263.257	CA	-1.396	0	Anodyne	ref	CAABRN	Nc1ncnc2c1ncn2[C@H]1C=C(CO)[C@H](O)[C@@H]1O	in-vitro
Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O	ZINC000000003837	75/10/22/372751022	HWXIGFIVGWUZAO-UHFFFAOYSA-N	0	266.257	CA	-1.193	0	Anodyne	ref	CAAARN	Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O	world
Cn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O	ZINC000000057146	69/42/57/373694257	KSCFJBIXMNOVSH-LURJTMIESA-N	0	254.246	CA	-2.213	0	Anodyne	ref	CAAARN	Cn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O	fda
Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O	ZINC000000057147	69/38/58/373693858	KSCFJBIXMNOVSH-ZCFIWIBFSA-N	0	254.246	CA	-2.213	0	Anodyne	ref	CAAARN	Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O	fda
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000000970363	64/81/97/373648197	OIRDTQYFTABQOQ-UHTZMRCNSA-N	0	267.245	CA	-1.98	0	Anodyne	ref	CAAARN	Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	world
Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1	ZINC000001530600	75/41/00/372754100	VWFCHDSQECPREK-LURJTMIESA-N	-2	279.189	CA	-1.662	1	Anodyne	mid	CAAAML	Nc1ccn(C[C@@H](CO)OCP(=O)([O-])[O-])c(=O)n1	fda
Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1	ZINC000001530600	75/40/93/372754093	VWFCHDSQECPREK-LURJTMIESA-N	-1	279.189	CA	-1.662	1	Anodyne	mid	CAAAMM	Nc1ccn(C[C@@H](CO)OC[P@](=O)([O-])O)c(=O)n1	fda
Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1	ZINC000001530600	75/40/79/372754079	VWFCHDSQECPREK-LURJTMIESA-N	-1	279.189	CA	-1.662	0	Anodyne	ref	CAAARM	Nc1ccn(C[C@@H](CO)OC[P@@](=O)([O-])O)c(=O)n1	fda
Nc1ncnc2c1ncn2[C@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000001672137	26/86/82/373268682	BNZYRKVSCLSXSJ-IOSLPCCCSA-N	0	297.271	CA	-2.833	0	Anodyne	ref	CAAARN	Nc1ncnc2c1ncn2[C@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O	in-vitro
Nc1ncnc2c1ncn2[C@@H](C=O)O[C@H](C=O)CO	ZINC000001681686	74/07/95/169740795	ILMNSCQOSGKTNZ-RNFRBKRXSA-N	0	265.229	CA	-1.318	0	Mild	ref	CAEARN	Nc1ncnc2c1ncn2[C@@H](C=O)O[C@H](C=O)CO	in-vitro
Nc1ncnc2c1ncn2[C@H](C=O)O[C@H](C=O)CO	ZINC000001681687	75/66/30/372756630	ILMNSCQOSGKTNZ-RQJHMYQMSA-N	0	265.229	CA	-1.318	0	Mild	ref	CAEARN	Nc1ncnc2c1ncn2[C@H](C=O)O[C@H](C=O)CO	in-vitro
Nc1ncnc2c1ncn2[C@@H](C=O)O[C@@H](C=O)CO	ZINC000001681688	75/64/09/372756409	ILMNSCQOSGKTNZ-NKWVEPMBSA-N	0	265.229	CA	-1.318	0	Mild	ref	CAEARN	Nc1ncnc2c1ncn2[C@@H](C=O)O[C@@H](C=O)CO	in-vitro
Nc1ncnc2c1ncn2[C@H](C=O)O[C@@H](C=O)CO	ZINC000001681689	75/73/25/372757325	ILMNSCQOSGKTNZ-BQBZGAKWSA-N	0	265.229	CA	-1.318	0	Mild	ref	CAEARN	Nc1ncnc2c1ncn2[C@H](C=O)O[C@@H](C=O)CO	in-vitro
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000002169830	76/01/81/372760181	OIRDTQYFTABQOQ-KQYNXXCUSA-N	0	267.245	CA	-1.98	0	Anodyne	ref	CAAARN	Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	fda endogenous
O=P(O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O	ZINC000002504621	76/19/40/372761940	INAPMGSXUVUWAF-WWHKVMGRSA-N	-2	260.135	CA	-3.718	0	Anodyne	ref	CAAARL	O=P([O-])([O-])OC1[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O	in-vitro metabolite
O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O	ZINC000002504636	76/20/30/372762030	TYKASZBHFXBROF-UHFFFAOYSA-N	0	252.182	CA	-1.481	0	Mild	ref	CAEARN	O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O	in-vitro
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	ZINC000002508229	11/59/79/374115979	VFRROHXSMXFLSN-KVTDHHQDSA-N	-1	260.135	CA	-3.262	2	Mild	low	CAEALM	O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	investigational
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	ZINC000002508229	11/59/73/374115973	VFRROHXSMXFLSN-KVTDHHQDSA-N	-1	260.135	CA	-3.262	2	Mild	low	CAEALM	O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	investigational
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	ZINC000002508229	11/59/65/374115965	VFRROHXSMXFLSN-KVTDHHQDSA-N	-2	260.135	CA	-3.262	0	Mild	ref	CAEARL	O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	investigational
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21	ZINC000003776540	41/19/81/574411981	FPUGCISOLXNPPC-IOSLPCCCSA-N	0	281.272	CA	-1.326	0	Anodyne	ref	CAAARN	CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21	in-vitro endogenous
C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000003794605	55/25/74/373552574	CDEURGJCGCHYFH-DJLDLDEBSA-N	0	252.226	CA	-1.841	0	Mild	ref	CAEARN	C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	in-vitro
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N	ZINC000003798074	91/25/91/169912591	RTRQQBHATOEIAF-UUOKFMHZSA-N	0	258.234	CA	-2.824	0	Anodyne	ref	CAAARN	NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N	world
O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O	ZINC000003803652	76/64/00/372766400	XRASPMIURGNCCH-UHFFFAOYSA-N	-4	272.09	CA	-1.115	3	Anodyne	high	CAAAHL	O=P([O-])([O-])C(O)(Cn1ccnc1)P(=O)([O-])[O-]	fda
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O	ZINC000003806262	65/67/97/373656797	FPVKHBSQESCIEP-JQCXWYLXSA-N	1	268.273	CA	-1.18	2	Anodyne	low	CAAALO	OC[C@H]1O[C@@H](n2c[nH+]c3c2NC=NC[C@H]3O)C[C@@H]1O	fda
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O	ZINC000003806262	65/67/73/373656773	FPVKHBSQESCIEP-JQCXWYLXSA-N	1	268.273	CA	-1.18	0	Anodyne	ref	CAAARO	OC[C@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)C[C@@H]1O	fda
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000003823492	76/66/66/372766666	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	0	297.271	CA	-1.971	0	Anodyne	ref	CAAARN	COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	fda
OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000003847505	76/66/44/372766644	NGFMICBWJRZIBI-UJPOAAIJSA-N	0	286.28	CA	-1.642	0	Anodyne	ref	CAAARN	OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-man metabolite
O=P(O)(O)OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O	ZINC000003869170	76/83/44/372768344	INAPMGSXUVUWAF-GQXJQEMDSA-N	-2	260.135	CA	-3.718	0	Anodyne	ref	CAABRL	O=P([O-])([O-])OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O	in-vitro
O=P(O)(O)OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O	ZINC000003869171	76/75/88/372767588	INAPMGSXUVUWAF-GCVPSNMTSA-N	-2	260.135	CA	-3.718	0	Anodyne	ref	CAAARL	O=P([O-])([O-])OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O	in-vitro metabolite
O=P(O)(O)OC1[C@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O	ZINC000003869172	76/78/77/372767877	INAPMGSXUVUWAF-LMEIFLMCSA-N	-2	260.135	CA	-3.718	0	Anodyne	ref	CAAARL	O=P([O-])([O-])OC1[C@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O	in-vitro
O=C(O)C1=C[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)C1	ZINC000003870237	03/56/59/304035659	QYOJSKGCWNAKGW-PBXRRBTRSA-N	-2	254.131	CA	-1.399	2	Anodyne	low	CAAALL	O=C([O-])C1=C[C@@H](O[P@](=O)([O-])O)[C@@H](O)[C@H](O)C1	metabolite in-vivo
O=C(O)C1=C[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)C1	ZINC000003870237	03/56/57/304035657	QYOJSKGCWNAKGW-PBXRRBTRSA-N	-2	254.131	CA	-1.399	2	Anodyne	low	CAAALL	O=C([O-])C1=C[C@@H](O[P@@](=O)([O-])O)[C@@H](O)[C@H](O)C1	metabolite in-vivo
O=C(O)C1=C[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)C1	ZINC000003870237	03/56/52/304035652	QYOJSKGCWNAKGW-PBXRRBTRSA-N	-3	254.131	CA	-1.399	0	Anodyne	ref	CAAARL	O=C([O-])C1=C[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)C1	metabolite in-vivo
CN(N=O)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000003875017	19/12/53/560191253	AGRCPNMCOXLKFO-BDVNFPICSA-N	0	265.222	CA	-3.048	0	Reactive	ref	CAGARN	CN(N=O)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	in-vitro
CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O	ZINC000003875394	76/85/04/372768504	RYSMHWILUNYBFW-GRIPGOBMSA-N	0	294.315	CA	-1.53	3	Anodyne	high	CAAAHN	CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O	in-vitro
CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O	ZINC000003875394	76/84/81/372768481	RYSMHWILUNYBFW-GRIPGOBMSA-N	1	294.315	CA	-1.53	0	Anodyne	ref	CAAARO	CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH3+])[C@H]1O	in-vitro
O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004096092	76/81/73/372768173	HXXFSFRBOHSIMQ-FPRJBGLDSA-N	-2	260.135	CA	-3.104	0	Anodyne	ref	CAAARL	O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	in-man endogenous
CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	ZINC000004096465	18/25/62/278182562	JINJZWSZQKHCIP-UFGQHTETSA-N	-1	291.256	CA	-3.067	0	Anodyne	ref	CAAARM	CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO	in-vivo
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000004216238	94/44/80/169944480	HBUBKKRHXORPQB-FJFJXFQQSA-N	0	285.235	CA	-1.841	0	Anodyne	ref	CAAARN	Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	fda
N#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	ZINC000004217594	14/44/54/374144454	XOKJUSAYZUAMGJ-WOUKDFQISA-N	0	291.267	CA	-1.503	0	Mild	ref	CAEARN	N#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	in-vitro
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]1	ZINC000004501448	53/32/12/296533212	GJTBSTBJLVYKAU-XVFCMESISA-N	-1	260.271	CA	-1.483	3	Anodyne	high	CAAAHM	O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[n-]1	in-vitro metabolite
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]1	ZINC000004501448	53/32/09/296533209	GJTBSTBJLVYKAU-XVFCMESISA-N	0	260.271	CA	-1.483	0	Anodyne	ref	CAAARN	O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]1	in-vitro metabolite
NC(=O)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1N	ZINC000004877289	03/55/95/170035595	RTRQQBHATOEIAF-PXMDKTAGSA-N	0	258.234	CA	-2.824	0	Anodyne	ref	CAAARN	NC(=O)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1N	in-vitro
NC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1N	ZINC000004877291	19/87/75/295198775	RTRQQBHATOEIAF-HAVMAKPUSA-N	0	258.234	CA	-2.824	0	Anodyne	ref	CAAARN	NC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1N	in-vitro
NC(=O)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1N	ZINC000004877292	03/52/89/170035289	RTRQQBHATOEIAF-HFXAWCPLSA-N	0	258.234	CA	-2.824	0	Anodyne	ref	CAAARN	NC(=O)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1N	in-vitro
NC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1N	ZINC000004877294	03/59/09/170035909	RTRQQBHATOEIAF-FULWYAMNSA-N	0	258.234	CA	-2.824	0	Anodyne	ref	CAAARN	NC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1N	in-vitro
C=C1O[C@@](CO)(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	ZINC000005137905	06/99/10/170069910	UZSSGAOAYPICBZ-SOCHQFKDSA-N	0	279.256	CA	-1.681	0	Mild	ref	CAEARN	C=C1O[C@@](CO)(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	metabolite in-vivo
O=C(O)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000005157115	04/64/39/304046439	KTNVTDIFZTZBJY-RBLKWDMZSA-N	-1	277.317	CA	-1.609	3	Anodyne	high	CAAAHM	O=C([O-])CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	in-vitro
O=C(O)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000005157115	04/64/38/304046438	KTNVTDIFZTZBJY-RBLKWDMZSA-N	0	277.317	CA	-1.609	1	Anodyne	mid	CAAAMN	O=C([O-])CCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	in-vitro
O=C(O)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000005157115	04/64/34/304046434	KTNVTDIFZTZBJY-RBLKWDMZSA-N	0	277.317	CA	-1.609	0	Anodyne	ref	CAAARN	O=C([O-])CCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	in-vitro
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl	ZINC000005783757	13/98/53/170139853	NJCXGFKPQSFZIB-RRKCRQDMSA-N	-1	262.649	CA	-1.169	3	Anodyne	high	CAAAHM	O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl	in-vivo
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl	ZINC000005783757	13/98/52/170139852	NJCXGFKPQSFZIB-RRKCRQDMSA-N	0	262.649	CA	-1.169	0	Anodyne	ref	CAAARN	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl	in-vivo
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21	ZINC000005998211	16/63/67/170166367	OVYNGSFVYRPRCG-KQYNXXCUSA-N	0	297.271	CA	-2.033	0	Anodyne	ref	CAAARN	CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21	in-vitro
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N	ZINC000006069529	17/36/14/170173614	ZAYHVCMSTBRABG-JXOAFFINSA-N	0	257.246	CA	-2.255	0	Anodyne	ref	CAAARN	Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N	in-man endogenous
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CO	ZINC000006091149	17/50/12/170175012	HMUOMFLFUUHUPE-XLPZGREQSA-N	0	257.246	CA	-2.041	0	Anodyne	ref	CAAARN	Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CO	in-vitro
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2O)c(=O)[nH]1	ZINC000006119279	17/73/90/170177390	OROIAVZITJBGSM-OBXARNEKSA-N	0	267.245	CA	-1.658	0	Anodyne	ref	CAAARN	Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2O)c(=O)[nH]1	in-vivo
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000008855117	35/73/20/170357320	UGQMRVRMYYASKQ-KQYNXXCUSA-N	-1	268.229	CA	-2.269	3	Anodyne	high	CAAAHM	O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	fda endogenous
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000008855117	35/73/18/170357318	UGQMRVRMYYASKQ-KQYNXXCUSA-N	0	268.229	CA	-2.269	0	Anodyne	ref	CAAARN	O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	fda endogenous
Nc1nc2c([nH]c(=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008952459	35/98/82/170359882	FPGSEBKFEJEOSA-UMMCILCDSA-N	-1	299.243	CA	-3.393	3	Anodyne	high	CAAAHM	Nc1nc2c([nH]c(=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1	in-man endogenous
Nc1nc2c([nH]c(=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008952459	35/98/81/170359881	FPGSEBKFEJEOSA-UMMCILCDSA-N	-1	299.243	CA	-3.393	1	Anodyne	mid	CAAAMM	Nc1nc2c([n-]c(=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	in-man endogenous
Nc1nc2c([nH]c(=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008952459	35/98/80/170359880	FPGSEBKFEJEOSA-UMMCILCDSA-N	0	299.243	CA	-3.393	0	Anodyne	ref	CAAARN	Nc1nc2c([nH]c(=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	in-man endogenous
Nc1nc2ncc([C@H](O)[C@H](O)CO)nc2c(=O)[nH]1	ZINC000012428336	48/78/31/170487831	BMQYVXCPAOLZOK-XINAWCOVSA-N	0	253.218	CA	-2.318	0	Anodyne	ref	CAAARN	Nc1nc2ncc([C@H](O)[C@H](O)CO)nc2c(=O)[nH]1	in-man endogenous
O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000012494841	08/79/56/374087956	CBIDVWSRUUODHL-BNWJMWRWSA-N	-1	290.161	CA	-3.742	2	Anodyne	low	CAAALM	O=[P@@]([O-])(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	in-man endogenous
O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000012494841	08/79/48/374087948	CBIDVWSRUUODHL-BNWJMWRWSA-N	-1	290.161	CA	-3.742	2	Anodyne	low	CAAALM	O=[P@]([O-])(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	in-man endogenous
O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000012494841	08/79/31/374087931	CBIDVWSRUUODHL-BNWJMWRWSA-N	-2	290.161	CA	-3.742	0	Anodyne	ref	CAAARL	O=P([O-])([O-])OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	in-man endogenous
O=C(O)[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000012953385	78/85/56/372788556	WVHAUDNUGBNUDZ-DSPMHBFJSA-N	-1	270.237	CA	-1.042	0	Anodyne	ref	CAABRM	O=C([O-])[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	in-vitro
Nc1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12	ZINC000013492903	83/74/47/373837447	AMFDITJFBUXZQN-KUBHLMPHSA-N	0	265.273	CA	-1.733	3	Anodyne	high	CAAAHN	Nc1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12	investigational
Nc1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12	ZINC000013492903	83/74/36/373837436	AMFDITJFBUXZQN-KUBHLMPHSA-N	1	265.273	CA	-1.733	0	Anodyne	ref	CAAARO	Nc1ncnc2c([C@@H]3[NH2+][C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12	investigational
OC[C@H]1O[C@@H](n2ccc(=S)nc2O)[C@H](O)[C@@H]1O	ZINC000013518039	78/94/48/372789448	ZLOIGESWDJYCTF-XVFCMESISA-N	-1	260.271	CA	-1.07	1	Anodyne	mid	CAAAMM	O=c1[n-]c(=S)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	in-vitro
OC[C@H]1O[C@@H](n2ccc(=S)nc2O)[C@H](O)[C@@H]1O	ZINC000013518039	78/94/26/372789426	ZLOIGESWDJYCTF-XVFCMESISA-N	0	260.271	CA	-1.07	0	Anodyne	ref	CAAARN	O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	in-vitro
Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1	ZINC000016051666	79/24/43/372792443	HCAJQHYUCKICQH-VPENINKCSA-N	-1	283.244	CA	-2.364	3	Anodyne	high	CAAAHM	Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n-]1	in-man endogenous
Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1	ZINC000016051666	79/24/38/372792438	HCAJQHYUCKICQH-VPENINKCSA-N	-1	283.244	CA	-2.364	1	Anodyne	mid	CAAAMM	Nc1nc2c([n-]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1	in-man endogenous
Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1	ZINC000016051666	79/24/24/372792424	HCAJQHYUCKICQH-VPENINKCSA-N	0	283.244	CA	-2.364	0	Anodyne	ref	CAAARN	Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1	in-man endogenous
C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	ZINC000018130229	74/31/62/170743162	OGHAROSJZRTIOK-KQYNXXCUSA-O	1	298.279	CA	-3.257	0	Anodyne	ref	CAAARO	Cn1c[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	in-man endogenous
Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000018193375	74/69/87/170746987	DBZQFUNLCALWDY-PNHWDRBUSA-N	0	266.257	CA	-1.375	0	Anodyne	ref	CAAARN	Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	in-vivo
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1	ZINC000018279854	50/22/15/303502215	SDUQYLNIPVEERB-QPPQHZFASA-N	0	263.2	CA	-1.289	0	Anodyne	ref	CAAARN	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1	fda
O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1	ZINC000019322537	79/18/20/304791820	AJKIRUJIDFJUKJ-UHFFFAOYSA-N	0	284.363	CA	-2.671	0	Anodyne	ref	CAAARN	O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1	investigational
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	ZINC000019850142	79/74/06/372797406	VFRROHXSMXFLSN-SLPGGIOYSA-N	-1	260.135	CA	-3.262	2	Mild	low	CAEALM	O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	in-vitro metabolite
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	ZINC000019850142	79/73/97/372797397	VFRROHXSMXFLSN-SLPGGIOYSA-N	-1	260.135	CA	-3.262	2	Mild	low	CAEALM	O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	in-vitro metabolite
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	ZINC000019850142	79/73/74/372797374	VFRROHXSMXFLSN-SLPGGIOYSA-N	-1	260.135	CA	-3.262	0	Mild	ref	CAEARM	O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	in-vitro metabolite
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1O	ZINC000027641894	69/80/14/281698014	ZAXZBJSXSOISTF-LYFQSNBGSA-N	0	298.335	CA	-1.046	0	Anodyne	ref	CAAARN	CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1O	in-vitro biogenic
C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O	ZINC000034082873	33/09/64/409330964	NYPIRLYMDJMKGW-VPCXQMTMSA-N	0	259.237	CA	-1.196	0	Anodyne	ref	CAAARN	C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O	in-vitro
C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N	ZINC000034440072	89/08/05/372890805	HMJSYXIPNSASJY-DJLDLDEBSA-N	0	251.242	CA	-1.552	0	Mild	ref	CAEARN	C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N	in-vitro
C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O	ZINC000040380308	90/87/51/297908751	ARKKGZQTGXJVKW-VPCXQMTMSA-N	0	260.221	CA	-1.485	0	Anodyne	ref	CAAARN	C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O	in-vitro
[O-]/[N+](=N/O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N1CCCC1	ZINC000045789225	97/51/49/534975149	DFCOWOMYWFVWMB-CWLSWERLSA-N	0	293.276	CA	-2.309	0	Clean	ref	CACBRN	O=[N+]([N-]O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N1CCCC1	in-vitro
Nc1nccc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049052049	84/33/90/372843390	DBZQFUNLCALWDY-AAQQEJRNSA-N	0	266.257	CA	-1.375	0	Anodyne	ref	CAABRN	Nc1nccc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	in-vitro
O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	ZINC000085994845	88/14/97/372881497	GSXOAOHZAIYLCY-HSUXUTPPSA-N	-1	260.135	CA	-3.26	2	Anodyne	low	CAAALM	O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	in-man endogenous
O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	ZINC000085994845	88/14/90/372881490	GSXOAOHZAIYLCY-HSUXUTPPSA-N	-1	260.135	CA	-3.26	2	Anodyne	low	CAAALM	O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	in-man endogenous
O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	ZINC000085994845	88/14/62/372881462	GSXOAOHZAIYLCY-HSUXUTPPSA-N	-2	260.135	CA	-3.26	0	Anodyne	ref	CAAARL	O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	in-man endogenous
C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1	ZINC000087515509	88/05/71/372880571	BMKDZUISNHGIBY-ZETCQYMHSA-N	0	268.273	CA	-2.708	0	Anodyne	ref	CAAARN	C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1	fda
O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000100016164	89/86/30/372898630	INAPMGSXUVUWAF-CNWJWELYSA-N	-2	260.135	CA	-3.718	0	Anodyne	ref	CAAARL	O=P([O-])([O-])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	in-man endogenous
[O-][N+](=NO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N1CCCC1	ZINC000100016370	97/50/28/534975028	DFCOWOMYWFVWMB-KBDSZGMXSA-N	0	293.276	CA	-2.309	0	Clean	ref	CACBRN	O=[N+]([N-]O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N1CCCC1	in-vitro
O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000100028278	58/32/05/373583205	INAPMGSXUVUWAF-PTQMNWPWSA-N	-2	260.135	CA	-3.718	0	Anodyne	ref	CAAARL	O=P([O-])([O-])O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	in-man endogenous
O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O	ZINC000100042156	89/78/95/372897895	MIJPAVRNWPDMOR-ZAFYKAAXSA-N	-2	256.103	CA	-1.856	2	Anodyne	low	CAAALL	O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O[P@](=O)([O-])O	in-vitro
O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O	ZINC000100042156	89/78/87/372897887	MIJPAVRNWPDMOR-ZAFYKAAXSA-N	-2	256.103	CA	-1.856	2	Anodyne	low	CAAALL	O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O[P@@](=O)([O-])O	in-vitro
O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O	ZINC000100042156	89/78/66/372897866	MIJPAVRNWPDMOR-ZAFYKAAXSA-N	-3	256.103	CA	-1.856	0	Anodyne	ref	CAAARL	O=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-]	in-vitro
Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N	ZINC000100053615	70/31/90/185703190	GFYLSDSUCHVORB-IOSLPCCCSA-N	0	281.272	CA	-2.139	0	Anodyne	ref	CAAARN	Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N	in-man endogenous
O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000100061358	89/73/50/372897350	INAPMGSXUVUWAF-UOTPTPDRSA-N	-2	260.135	CA	-3.718	0	Anodyne	ref	CAAARL	O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	in-vitro metabolite
Cn1c(=N)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O	ZINC000100072837	89/83/63/372898363	RDPUKVRQKWBSPK-ZOQUXTDFSA-N	0	257.246	CA	-2.722	0	Anodyne	ref	CAAARN	Cn1c(=N)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O	in-vitro