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
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
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
N=C(N)NCCC[C@H](N)C(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)O	ZINC000001607694	21/97/89/303219789	RRJCLYMGCZJLBQ-YPMHNXCESA-N	0	336.392	EC	0.185	1	Anodyne	mid	ECAAMN	NC(=[NH2+])NCCC[C@H](N)C(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	in-vitro
N=C(N)NCCC[C@H](N)C(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)O	ZINC000001607694	21/97/88/303219788	RRJCLYMGCZJLBQ-YPMHNXCESA-N	1	336.392	EC	0.185	0	Anodyne	ref	ECAARO	NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	in-vitro
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
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O	ZINC000002384989	96/39/97/435963997	PWIQCLSQVQBOQV-AAEUAGOBSA-N	-2	333.344	EC	0.472	1	Anodyne	mid	ECAAML	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	in-man endogenous
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O	ZINC000002384989	96/39/87/435963987	PWIQCLSQVQBOQV-AAEUAGOBSA-N	-1	333.344	EC	0.472	0	Anodyne	ref	ECAARM	[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	in-man endogenous
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	ZINC000002522661	18/73/59/560187359	ONICONPPGVXITG-GVXVVHGQSA-N	0	339.823	EC	0.374	1	Reactive	mid	ECGAMN	C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	in-vitro
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	ZINC000002522661	18/73/57/560187357	ONICONPPGVXITG-GVXVVHGQSA-N	1	339.823	EC	0.374	0	Reactive	ref	ECGARO	C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	in-vitro
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(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
O=C(O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)O	ZINC000003972138	18/48/89/304184889	HZLAWYIBLZNRFZ-VXGBXAGGSA-N	-2	340.376	EC	0.698	0	Anodyne	ref	ECAARL	O=C([O-])[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)[O-]	investigational
CC(=O)C1=C(O)C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O	ZINC000005114136	39/11/72/210391172	GEWLYFZWVLXQME-MRXNPFEDSA-N	-1	331.28	EC	0.715	2	Mild	low	ECEALM	CC([O-])=C1C(=O)C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O	in-vivo
CC(=O)C1=C(O)C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O	ZINC000005114136	39/11/68/210391168	GEWLYFZWVLXQME-MRXNPFEDSA-N	-1	331.28	EC	0.715	2	Mild	low	ECEALM	CC(=O)C1=C([O-])[C@]2(C)C(=CC1=O)Oc1c(C(N)=O)c(O)cc(O)c12	in-vivo
CC(=O)C1=C(O)C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O	ZINC000005114136	39/11/62/210391162	GEWLYFZWVLXQME-MRXNPFEDSA-N	-1	331.28	EC	0.715	2	Mild	low	ECEALM	CC(=O)C1=C([O-])C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O	in-vivo
CCNc1nc(NC(C)C)nc(SC[C@H](NC(C)=O)C(=O)O)n1	ZINC000005853888	62/36/17/285623617	JYBXBVCDDNBLJW-VIFPVBQESA-N	-1	342.425	EC	0.805	0	Anodyne	ref	ECAARM	CCNc1nc(NC(C)C)nc(SC[C@H](NC(C)=O)C(=O)[O-])n1	in-vitro
CC(=O)N[C@@H](CSC(=S)NCCCC[S@@](C)=O)C(=O)O	ZINC000022066622	07/90/76/202079076	IIHBKTCHILXGOT-LXGOIASLSA-N	-2	340.492	EC	0.342	1	Anodyne	mid	ECAAML	CC(=O)N[C@@H](CSC(=S)[N-]CCCC[S@@](C)=O)C(=O)[O-]	in-man
CC(=O)N[C@@H](CSC(=S)NCCCC[S@@](C)=O)C(=O)O	ZINC000022066622	07/90/73/202079073	IIHBKTCHILXGOT-LXGOIASLSA-N	-1	340.492	EC	0.342	0	Anodyne	ref	ECAARM	CC(=O)N[C@@H](CSC(=S)NCCCC[S@@](C)=O)C(=O)[O-]	in-man
CC(=O)N[C@@H](CSC(=S)NCCCC[S@](C)=O)C(=O)O	ZINC000022066628	27/53/23/212275323	IIHBKTCHILXGOT-GWNMQOMSSA-N	-2	340.492	EC	0.342	1	Anodyne	mid	ECAAML	CC(=O)N[C@@H](CSC(=S)[N-]CCCC[S@](C)=O)C(=O)[O-]	in-man
CC(=O)N[C@@H](CSC(=S)NCCCC[S@](C)=O)C(=O)O	ZINC000022066628	27/53/21/212275321	IIHBKTCHILXGOT-GWNMQOMSSA-N	-1	340.492	EC	0.342	0	Anodyne	ref	ECAARM	CC(=O)N[C@@H](CSC(=S)NCCCC[S@](C)=O)C(=O)[O-]	in-man
CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C	ZINC000027652832	18/00/58/436180058	VEBVPUXQAPLADL-POYOOMFHSA-N	0	348.439	EC	0.815	0	Anodyne	ref	ECAARN	CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C	in-vitro biogenic
NS(=O)(=O)c1cc2c(c(Cl)c1Cl)NCNS2(=O)=O	ZINC000035636705	28/74/26/295287426	BSNKBIJVLZUERH-UHFFFAOYSA-N	-1	332.19	EC	0.302	3	Anodyne	high	ECAAHM	NS(=O)(=O)c1cc2c(c(Cl)c1Cl)NC[N-]S2(=O)=O	in-vitro
NS(=O)(=O)c1cc2c(c(Cl)c1Cl)NCNS2(=O)=O	ZINC000035636705	28/74/22/295287422	BSNKBIJVLZUERH-UHFFFAOYSA-N	0	332.19	EC	0.302	0	Anodyne	ref	ECAARN	NS(=O)(=O)c1cc2c(c(Cl)c1Cl)NCNS2(=O)=O	in-vitro
O=C1N[C@@H]2[C@H](CCCCC(=O)ON3C(=O)CCC3=O)SC[C@@H]2N1	ZINC000059662284	63/22/36/436632236	YMXHPSHLTSZXKH-RVBZMBCESA-N	0	341.389	EC	0.319	0	Mild	ref	ECEARN	O=C1N[C@@H]2[C@H](CCCCC(=O)ON3C(=O)CCC3=O)SC[C@@H]2N1	in-vitro
O=C(O)C/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CCC(=O)CCC(=O)O	ZINC000077312311	86/92/80/216869280	XSGSZQDCVYMZGQ-YQQXMBKZSA-N	-2	328.361	EC	0.979	0	Anodyne	ref	ECAARL	O=C([O-])C/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CCC(=O)CCC(=O)[O-]	in-vitro