CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000000020229	94/94/52/435949452	BGRJTUBHPOOWDU-LLVKDONJSA-N	0	341.433	EC	0.557	3	Anodyne	high	ECAAHN	CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	world
CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000000020229	94/94/50/435949450	BGRJTUBHPOOWDU-LLVKDONJSA-N	1	341.433	EC	0.557	1	Anodyne	mid	ECAAMO	CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	world
CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000000020229	94/94/45/435949445	BGRJTUBHPOOWDU-LLVKDONJSA-N	1	341.433	EC	0.557	0	Anodyne	ref	ECAARO	CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	world
NS(=O)(=O)c1cc([C@]2(O)NC(=O)c3ccccc32)ccc1Cl	ZINC000000020253	94/87/43/435948743	JIVPVXMEBJLZRO-CQSZACIVSA-N	0	338.772	EC	0.924	0	Anodyne	ref	ECAARN	NS(=O)(=O)c1cc([C@]2(O)NC(=O)c3ccccc32)ccc1Cl	fda
CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000000057008	39/30/42/209393042	BGRJTUBHPOOWDU-NSHDSACASA-N	0	341.433	EC	0.557	3	Anodyne	high	ECAAHN	CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	world
CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000000057008	39/30/37/209393037	BGRJTUBHPOOWDU-NSHDSACASA-N	0	341.433	EC	0.557	1	Anodyne	mid	ECAAMN	CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	world
CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000000057008	39/30/35/209393035	BGRJTUBHPOOWDU-NSHDSACASA-N	1	341.433	EC	0.557	0	Anodyne	ref	ECAARO	CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	world
NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl	ZINC000000057255	28/72/93/295287293	JIVPVXMEBJLZRO-AWEZNQCLSA-N	0	338.772	EC	0.924	0	Anodyne	ref	ECAARN	NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl	fda
CC1(C)S[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)O	ZINC000001530218	95/87/47/435958747	JGSARLDLIJGVTE-OUCADQQQSA-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-]	investigational
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2SC1	ZINC000001530596	95/77/71/435957771	ZAIPMKNFIOOWCQ-ZETOZRRWSA-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	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2SC1	ZINC000001530596	95/77/56/435957756	ZAIPMKNFIOOWCQ-ZETOZRRWSA-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	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@@H]2SC1	ZINC000001530597	95/97/92/435959792	RDLPVSKMFDYCOR-ZETOZRRWSA-N	-1	349.412	EC	0.349	1	Anodyne	mid	ECAAMM	CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@@H]2SC1	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@@H]2SC1	ZINC000001530597	95/97/86/435959786	RDLPVSKMFDYCOR-ZETOZRRWSA-N	0	349.412	EC	0.349	0	Anodyne	ref	ECAARN	CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])C3=CCC=CC3)[C@@H]2SC1	 
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
COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1	ZINC000001639578	96/14/89/435961489	FKMJXALNHKIDOD-LBPRGKRZSA-N	1	342.421	EC	0.078	0	Anodyne	ref	ECAARO	COC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(C)cc1	in-vitro
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccccc3)[C@@H]2SC1	ZINC000001849559	96/25/52/435962552	ZAIPMKNFIOOWCQ-PGUXBMHVSA-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	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccccc3)[C@@H]2SC1	ZINC000001849559	96/25/42/435962542	ZAIPMKNFIOOWCQ-PGUXBMHVSA-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	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@@H]2SC1	ZINC000002020074	96/22/24/435962224	RDLPVSKMFDYCOR-PGUXBMHVSA-N	-1	349.412	EC	0.349	1	Anodyne	mid	ECAAMM	CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@@H]2SC1	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@@H]2SC1	ZINC000002020074	96/22/12/435962212	RDLPVSKMFDYCOR-PGUXBMHVSA-N	0	349.412	EC	0.349	0	Anodyne	ref	ECAARN	CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])C3=CCC=CC3)[C@@H]2SC1	 
CC(C)(C)/[N+]([O-])=C/c1ccc(S(=O)(=O)O)cc1S(=O)(=O)O	ZINC000002022427	52/29/33/201522933	OVTCHWSLKGENKP-GHXNOFRVSA-N	-1	337.375	EC	0.908	0	Mild	ref	ECEARM	CC(C)(C)[N+](=O)Cc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	in-man
COC(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1	ZINC000002496336	96/35/73/435963573	FKMJXALNHKIDOD-GFCCVEGCSA-N	1	342.421	EC	0.078	0	Anodyne	ref	ECAARO	COC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(C)cc1	 
CC1(C)S[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O	ZINC000002572643	96/77/15/435967715	JGSARLDLIJGVTE-SGMGOOAPSA-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-]	investigational
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O	ZINC000003819466	97/76/22/435977622	UNRCMCRRFYFGFX-TYPNBTCFSA-N	1	336.395	EC	0.741	2	Anodyne	low	ECAALO	CC(C)(C)c1[nH]c[nH+]c1C=c1[nH]c(=O)c(=Cc2ccccc2)[nH]c1=O	in-man
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O	ZINC000003819466	97/76/18/435977618	UNRCMCRRFYFGFX-TYPNBTCFSA-N	0	336.395	EC	0.741	2	Anodyne	low	ECAALN	CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)[nH]c1=O	in-man
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O	ZINC000003819466	97/76/14/435977614	UNRCMCRRFYFGFX-TYPNBTCFSA-N	-1	336.395	EC	0.741	1	Anodyne	mid	ECAAMM	CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)[n-]c1=O	in-man
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O	ZINC000003819466	97/76/03/435977603	UNRCMCRRFYFGFX-TYPNBTCFSA-N	-1	336.395	EC	0.741	0	Anodyne	ref	ECAARM	CC(C)(C)c1[nH]cnc1C=c1[n-]c(=O)c(=Cc2ccccc2)[nH]c1=O	in-man
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O	ZINC000003830218	07/91/19/210079119	AVKUERGKIZMTKX-NJBDSQKTSA-N	0	349.412	EC	0.318	1	Anodyne	mid	ECAAMN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	fda endogenous
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O	ZINC000003830218	07/91/15/210079115	AVKUERGKIZMTKX-NJBDSQKTSA-N	-1	349.412	EC	0.318	0	Anodyne	ref	ECAARM	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	fda endogenous
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)O	ZINC000003830219	07/83/34/210078334	AVKUERGKIZMTKX-ZHSDAYTOSA-N	0	349.412	EC	0.318	1	Anodyne	mid	ECAAMN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	investigational
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)O	ZINC000003830219	07/83/12/210078312	AVKUERGKIZMTKX-ZHSDAYTOSA-N	-1	349.412	EC	0.318	0	Anodyne	ref	ECAARM	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)[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(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	ZINC000003830502	07/86/11/210078611	ZAIPMKNFIOOWCQ-JRPNMDOOSA-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	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	ZINC000003830502	07/86/06/210078606	ZAIPMKNFIOOWCQ-JRPNMDOOSA-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	 
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1	ZINC000003830515	07/84/49/210078449	RDLPVSKMFDYCOR-UEKVPHQBSA-N	-1	349.412	EC	0.349	1	Anodyne	mid	ECAAMM	CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1	world
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1	ZINC000003830515	07/84/45/210078445	RDLPVSKMFDYCOR-UEKVPHQBSA-N	0	349.412	EC	0.349	0	Anodyne	ref	ECAARN	CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])C3=CCC=CC3)[C@H]2SC1	world
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1	ZINC000003830517	07/89/11/210078911	RDLPVSKMFDYCOR-JRPNMDOOSA-N	-1	349.412	EC	0.349	1	Anodyne	mid	ECAAMM	CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1	ZINC000003830517	07/89/06/210078906	RDLPVSKMFDYCOR-JRPNMDOOSA-N	0	349.412	EC	0.349	0	Anodyne	ref	ECAARN	CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])C3=CCC=CC3)[C@H]2SC1	 
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)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)O	ZINC000003871702	97/85/56/435978556	JGSARLDLIJGVTE-YRGRVCCFSA-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-]	investigational metabolite
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@H]2SC1	ZINC000003978031	09/72/57/210097257	RDLPVSKMFDYCOR-ZIBATOQPSA-N	-1	349.412	EC	0.349	1	Anodyne	mid	ECAAMM	CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@H]2SC1	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@H]2SC1	ZINC000003978031	09/72/55/210097255	RDLPVSKMFDYCOR-ZIBATOQPSA-N	0	349.412	EC	0.349	0	Anodyne	ref	ECAARN	CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])C3=CCC=CC3)[C@H]2SC1	 
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O	ZINC000004062610	11/23/40/210112340	AVKUERGKIZMTKX-BBGACYKPSA-N	0	349.412	EC	0.318	1	Anodyne	mid	ECAAMN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H]([NH3+])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	investigational
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O	ZINC000004062610	11/23/38/210112338	AVKUERGKIZMTKX-BBGACYKPSA-N	-1	349.412	EC	0.318	0	Anodyne	ref	ECAARM	CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	investigational
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccccc3)[C@H]2SC1	ZINC000005305555	43/70/47/210437047	ZAIPMKNFIOOWCQ-ZIBATOQPSA-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	 
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccccc3)[C@H]2SC1	ZINC000005305555	43/70/43/210437043	ZAIPMKNFIOOWCQ-ZIBATOQPSA-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	 
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)O	ZINC000005497159	98/98/63/435989863	AVKUERGKIZMTKX-ICUOPCATSA-N	0	349.412	EC	0.318	1	Anodyne	mid	ECAAMN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H]([NH3+])c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	investigational
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)O	ZINC000005497159	98/98/55/435989855	AVKUERGKIZMTKX-ICUOPCATSA-N	-1	349.412	EC	0.318	0	Anodyne	ref	ECAARM	CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	investigational
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O	ZINC000010257289	03/75/31/436037531	UNRCMCRRFYFGFX-BMJMZVRVSA-N	1	336.395	EC	0.741	2	Anodyne	low	ECAALO	CC(C)(C)c1[nH]c[nH+]c1C=c1[nH]c(=O)c(=Cc2ccccc2)[nH]c1=O	 
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O	ZINC000010257289	03/75/24/436037524	UNRCMCRRFYFGFX-BMJMZVRVSA-N	0	336.395	EC	0.741	2	Anodyne	low	ECAALN	CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)[nH]c1=O	 
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O	ZINC000010257289	03/75/18/436037518	UNRCMCRRFYFGFX-BMJMZVRVSA-N	-1	336.395	EC	0.741	1	Anodyne	mid	ECAAMM	CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)[n-]c1=O	 
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O	ZINC000010257289	03/75/08/436037508	UNRCMCRRFYFGFX-BMJMZVRVSA-N	-1	336.395	EC	0.741	0	Anodyne	ref	ECAARM	CC(C)(C)c1[nH]cnc1C=c1[n-]c(=O)c(=Cc2ccccc2)[nH]c1=O	 
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O	ZINC000014961096	07/58/72/436075872	ZSBOMTDTBDDKMP-OAHLLOKOSA-N	1	339.399	EC	0.394	0	Mild	ref	ECEARO	Cn1c(=O)cc(N2CCC[C@@H]([NH3+])C2)n(Cc2ccccc2C#N)c1=O	fda biogenic
Cn1c(=O)cc(N2CCC[C@H](N)C2)n(Cc2ccccc2C#N)c1=O	ZINC000038317698	25/95/76/436259576	ZSBOMTDTBDDKMP-HNNXBMFYSA-N	1	339.399	EC	0.394	0	Mild	ref	ECEARO	Cn1c(=O)cc(N2CCC[C@H]([NH3+])C2)n(Cc2ccccc2C#N)c1=O	in-vitro
CC(C)(C)/[N+]([O-])=C\c1ccc(S(=O)(=O)O)cc1S(=O)(=O)O	ZINC000100376877	54/73/27/436547327	OVTCHWSLKGENKP-KPKJPENVSA-N	-1	337.375	EC	0.908	0	Mild	ref	ECEARM	CC(C)(C)[N+](=O)Cc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]