O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000000020220	79/36/86/440793686	MYSWGUAQZAJSOK-UHFFFAOYSA-N	-1	331.347	ED	1.583	3	Anodyne	high	EDAAHM	O=C([O-])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	fda
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000000020220	79/36/74/440793674	MYSWGUAQZAJSOK-UHFFFAOYSA-N	0	331.347	ED	1.583	0	Anodyne	ref	EDAARN	O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O	fda
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	ZINC000001532334	34/89/86/299348986	LZFZMUMEGBBDTC-AEGPPILISA-N	-2	348.399	ED	1.126	1	Anodyne	mid	EDABML	C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	in-vitro
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	ZINC000001532334	34/89/71/299348971	LZFZMUMEGBBDTC-AEGPPILISA-N	-1	348.399	ED	1.126	0	Anodyne	ref	EDABRM	C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	in-vitro
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	ZINC000003812851	34/91/05/299349105	LZFZMUMEGBBDTC-QEJZJMRPSA-N	-2	348.399	ED	1.126	1	Anodyne	mid	EDAAML	C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	fda endogenous
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	ZINC000003812851	34/90/91/299349091	LZFZMUMEGBBDTC-QEJZJMRPSA-N	-1	348.399	ED	1.126	0	Anodyne	ref	EDAARM	C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	fda endogenous
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O	ZINC000004217270	14/58/13/210145813	ODAIHABQVKJNIY-PEDHHIEDSA-N	-2	340.42	ED	1.462	3	Anodyne	high	EDAAHL	CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	world
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O	ZINC000004217270	14/58/06/210145806	ODAIHABQVKJNIY-PEDHHIEDSA-N	-1	340.42	ED	1.462	0	Anodyne	ref	EDAARM	CCC[C@H]([NH2+][C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	world
C[C@H]1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)O)cn1c23	ZINC000013535560	16/02/18/441160218	ANLIAKDHRADSBT-NSHDSACASA-N	0	343.383	ED	1.405	2	Anodyne	low	EDAALN	C[C@H]1COc2c(N3CC[NH+](C)CC3)ccc3c(=O)c(C(=O)[O-])cn1c23	in-vitro
C[C@H]1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)O)cn1c23	ZINC000013535560	16/02/03/441160203	ANLIAKDHRADSBT-NSHDSACASA-N	-1	343.383	ED	1.405	0	Anodyne	ref	EDAARM	C[C@H]1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)[O-])cn1c23	in-vitro
COc1c(C)c2c(c(O)c1C[C@@H](O)[C@@]1(C)CCC(=O)O1)C(=O)OC2	ZINC000014455553	18/56/49/441185649	WSNMPAVSZJSIMT-PIGZYNQJSA-N	0	336.34	ED	1.379	0	Anodyne	ref	EDABRN	COc1c(C)c2c(c(O)c1C[C@@H](O)[C@@]1(C)CCC(=O)O1)C(=O)OC2	in-vitro
COc1c(C)c2c(c(O)c1C[C@H](O)[C@@]1(C)CCC(=O)O1)C(=O)OC2	ZINC000014455554	18/53/15/441185315	WSNMPAVSZJSIMT-APPDUMDISA-N	0	336.34	ED	1.379	0	Anodyne	ref	EDABRN	COc1c(C)c2c(c(O)c1C[C@H](O)[C@@]1(C)CCC(=O)O1)C(=O)OC2	in-vitro
COc1c(C)c2c(c(O)c1C[C@@H](O)[C@]1(C)CCC(=O)O1)C(=O)OC2	ZINC000014455555	18/55/00/441185500	WSNMPAVSZJSIMT-DIFFPNOSSA-N	0	336.34	ED	1.379	0	Anodyne	ref	EDABRN	COc1c(C)c2c(c(O)c1C[C@@H](O)[C@]1(C)CCC(=O)O1)C(=O)OC2	in-vitro
COc1c(C)c2c(c(O)c1C[C@H](O)[C@]1(C)CCC(=O)O1)C(=O)OC2	ZINC000014455556	18/56/64/441185664	WSNMPAVSZJSIMT-GTNSWQLSSA-N	0	336.34	ED	1.379	0	Anodyne	ref	EDABRN	COc1c(C)c2c(c(O)c1C[C@H](O)[C@]1(C)CCC(=O)O1)C(=O)OC2	in-vitro
C[C@@H]1COc2c(N3CCNCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000022056311	16/79/10/297167910	WKRSSAPQZDHYRV-SECBINFHSA-N	-1	347.346	ED	1.202	3	Anodyne	high	EDAAHM	C[C@@H]1COc2c(N3CCNCC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	in-vitro
C[C@@H]1COc2c(N3CCNCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000022056311	16/79/02/297167902	WKRSSAPQZDHYRV-SECBINFHSA-N	0	347.346	ED	1.202	0	Anodyne	ref	EDAARN	C[C@@H]1COc2c(N3CC[NH2+]CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	in-vitro
C[C@H]1COc2c(N3CCNCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000022056381	27/62/17/441276217	WKRSSAPQZDHYRV-VIFPVBQESA-N	-1	347.346	ED	1.202	3	Anodyne	high	EDAAHM	C[C@H]1COc2c(N3CCNCC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	in-vitro
C[C@H]1COc2c(N3CCNCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000022056381	27/62/04/441276204	WKRSSAPQZDHYRV-VIFPVBQESA-N	0	347.346	ED	1.202	0	Anodyne	ref	EDAARN	C[C@H]1COc2c(N3CC[NH2+]CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	in-vitro
CC(=O)Oc1cccc2c1C(=O)c1c(O)cc(C(=O)O)cc1C2=O	ZINC000034053106	22/29/22/278222922	YBGHQNHYFJYUHT-UHFFFAOYSA-N	-2	326.26	ED	1.791	3	Clean	high	EDCAHL	CC(=O)Oc1cccc2c1C(=O)c1c([O-])cc(C(=O)[O-])cc1C2=O	in-vitro
CC(=O)Oc1cccc2c1C(=O)c1c(O)cc(C(=O)O)cc1C2=O	ZINC000034053106	22/29/21/278222921	YBGHQNHYFJYUHT-UHFFFAOYSA-N	-1	326.26	ED	1.791	0	Clean	ref	EDCARM	CC(=O)Oc1cccc2c1C(=O)c1c(O)cc(C(=O)[O-])cc1C2=O	in-vitro
C[C@@H]1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)O)cn1c23	ZINC000039383034	16/79/35/297167935	ANLIAKDHRADSBT-LLVKDONJSA-N	0	343.383	ED	1.405	2	Anodyne	low	EDABLN	C[C@@H]1COc2c(N3CC[NH+](C)CC3)ccc3c(=O)c(C(=O)[O-])cn1c23	in-vitro
C[C@@H]1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)O)cn1c23	ZINC000039383034	16/79/23/297167923	ANLIAKDHRADSBT-LLVKDONJSA-N	-1	343.383	ED	1.405	0	Anodyne	ref	EDABRM	C[C@@H]1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)[O-])cn1c23	in-vitro
CNCCNc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1OC[C@@H]3C	ZINC000065739903	99/28/58/214992858	DTSGFABJBJMJFG-QMMMGPOBSA-N	0	335.335	ED	1.423	0	Anodyne	ref	EDAARN	C[NH2+]CCNc1c(F)cc2c(=O)c(C(=O)[O-])cn3c2c1OC[C@@H]3C	in-vitro
CNCCNc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1OC[C@H]3C	ZINC000067665159	17/66/13/215176613	DTSGFABJBJMJFG-MRVPVSSYSA-N	0	335.335	ED	1.423	0	Anodyne	ref	EDABRN	C[NH2+]CCNc1c(F)cc2c(=O)c(C(=O)[O-])cn3c2c1OC[C@H]3C	in-vitro