NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O	ZINC000001535903	95/78/28/435957828	PEZPMAYDXJQYRV-UHFFFAOYSA-N	2	325.372	EC	0.598	0	Clean	ref	ECCARP	[NH3+]CCNc1ccc(NCC[NH3+])c2c1C(=O)c1ccncc1C2=O	investigational
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	ZINC000003830500	07/80/08/210078008	ZAIPMKNFIOOWCQ-UEKVPHQBSA-N	0	347.396	EC	0.445	1	Anodyne	mid	ECAAMN	CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccccc3)[C@H]2SC1	fda metabolite
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	ZINC000003830500	07/80/03/210078003	ZAIPMKNFIOOWCQ-UEKVPHQBSA-N	-1	347.396	EC	0.445	0	Anodyne	ref	ECAARM	CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	fda metabolite
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O	ZINC000003871701	08/18/15/210081815	JGSARLDLIJGVTE-MBNYWOFBSA-N	-1	334.397	EC	0.861	0	Anodyne	ref	ECAARM	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	fda metabolite
CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(C)(=O)=O)O1	ZINC000003881596	41/69/03/281416903	CLCAOXSGSHWACR-KAMPLNKDSA-N	0	338.378	EC	0.359	0	Mild	ref	ECEARN	CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(C)(=O)=O)O1	 
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N)[C@H]3SC2)s1	ZINC000004025970	82/11/71/302821171	HJSGHKMSDOLGJJ-HZGVNTEJSA-N	0	344.443	EC	0.52	1	Anodyne	mid	ECAAMN	Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H]([NH3+])[C@H]3SC2)s1	 
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N)[C@H]3SC2)s1	ZINC000004025970	82/11/68/302821168	HJSGHKMSDOLGJJ-HZGVNTEJSA-N	-1	344.443	EC	0.52	0	Anodyne	ref	ECAARM	Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](N)[C@H]3SC2)s1	 
CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C	ZINC000004217478	14/56/75/210145675	OHPVYKXTRACOSQ-ZJUUUORDSA-N	0	347.389	EC	0.21	0	Anodyne	ref	ECAARN	CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C	in-man
N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)O	ZINC000005274012	98/72/82/435987282	MUYCUFZXUZRHSL-IUCAKERBSA-N	-1	339.314	EC	0.238	3	Anodyne	high	ECABHM	[NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)[O-]	 
N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)O	ZINC000005274012	98/72/74/435987274	MUYCUFZXUZRHSL-IUCAKERBSA-N	0	339.314	EC	0.238	0	Anodyne	ref	ECABRN	[NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)[O-]	 
COC(=O)CNS(=O)(=O)c1cc(Cl)sc1C(=O)OC	ZINC000016189816	08/80/18/436088018	SHOKLCGTXCHVRZ-UHFFFAOYSA-N	-1	327.767	EC	0.639	1	Anodyne	mid	ECAAMM	COC(=O)C[N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC	 
COC(=O)CNS(=O)(=O)c1cc(Cl)sc1C(=O)OC	ZINC000016189816	08/80/11/436088011	SHOKLCGTXCHVRZ-UHFFFAOYSA-N	0	327.767	EC	0.639	0	Anodyne	ref	ECAARN	COC(=O)CNS(=O)(=O)c1cc(Cl)sc1C(=O)OC	 
CN(C)CCCN1CN(CCCN(C)C)CN(CCCN(C)C)C1	ZINC000019203842	00/47/07/212004707	FZQMJOOSLXFQSU-UHFFFAOYSA-N	3	342.576	EC	0.634	0	Anodyne	ref	ECAARP	C[NH+](C)CCCN1CN(CCC[NH+](C)C)CN(CCC[NH+](C)C)C1	 
Cn1c(C(C)(C)N)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O	ZINC000021299550	21/97/54/212219754	AQLZTHZLYFFVIJ-UHFFFAOYSA-N	-1	334.351	EC	0.749	3	Anodyne	high	ECAAHM	Cn1c(C(C)(C)N)nc(C(=O)NCc2ccc(F)cc2)c([O-])c1=O	in-vitro
Cn1c(C(C)(C)N)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O	ZINC000021299550	21/97/52/212219752	AQLZTHZLYFFVIJ-UHFFFAOYSA-N	0	334.351	EC	0.749	1	Anodyne	mid	ECAAMN	Cn1c(C(C)(C)[NH3+])nc(C(=O)NCc2ccc(F)cc2)c([O-])c1=O	in-vitro
Cn1c(C(C)(C)N)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O	ZINC000021299550	21/97/47/212219747	AQLZTHZLYFFVIJ-UHFFFAOYSA-N	1	334.351	EC	0.749	0	Anodyne	ref	ECAARO	Cn1c(C(C)(C)[NH3+])nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O	in-vitro
COC(=O)CN(C)S(=O)(=O)c1cc(Cl)sc1C(=O)OC	ZINC000035906372	31/04/12/202310412	AMNIHQZRIVJTPY-UHFFFAOYSA-N	0	341.794	EC	0.982	0	Anodyne	ref	ECABRN	COC(=O)CN(C)S(=O)(=O)c1cc(Cl)sc1C(=O)OC	 
N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)[nH]c1=O	ZINC000036377313	20/62/14/303206214	KYXUNUKTHMZSLE-CQSZACIVSA-N	1	325.372	EC	0.384	0	Mild	ref	ECEBRO	N#Cc1ccccc1Cn1c(N2CCC[C@@H]([NH3+])C2)cc(=O)[nH]c1=O	 
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCN	ZINC000038248473	20/66/65/213206665	WCNWLERBLMBSOT-UHFFFAOYSA-N	1	336.429	EC	0.536	0	Anodyne	ref	ECAARO	CC(C)(C)OC(=O)NCCOCCOCCOCCOCC[NH3+]	in-vitro
CC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000038883796	18/19/93/278181993	MQRCTNZVQVRCRD-XNCJUZBTSA-N	0	338.432	EC	0.139	0	Anodyne	ref	ECAARN	CC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	 
Nc1ccn([C@@H]2CS[C@H](COC(=O)c3ccccc3O)O2)c(=O)n1	ZINC000077031770	36/97/32/203369732	MUAWHSKZVSAWMH-QWHCGFSZSA-N	0	349.368	EC	0.976	0	Anodyne	ref	ECAARN	Nc1ccn([C@@H]2CS[C@H](COC(=O)c3ccccc3O)O2)c(=O)n1