COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	ZINC000001542392	33/21/53/209332153	WNMJYKCGWZFFKR-AWEZNQCLSA-N	1	389.456	GD	1.351	2	Anodyne	low	GDAALO	COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)[nH+]c(N)c2cc1OC	fda
COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	ZINC000001542392	33/21/47/209332147	WNMJYKCGWZFFKR-AWEZNQCLSA-N	1	389.456	GD	1.351	1	Anodyne	mid	GDAAMO	COc1cc2[nH+]c(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	fda
COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	ZINC000001542392	33/21/41/209332141	WNMJYKCGWZFFKR-AWEZNQCLSA-N	0	389.456	GD	1.351	0	Anodyne	ref	GDAARN	COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	fda
COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC	ZINC000001843099	39/30/24/206393024	WNMJYKCGWZFFKR-CQSZACIVSA-N	1	389.456	GD	1.351	2	Anodyne	low	GDAALO	COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)[nH+]c(N)c2cc1OC	fda
COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC	ZINC000001843099	39/30/21/206393021	WNMJYKCGWZFFKR-CQSZACIVSA-N	1	389.456	GD	1.351	1	Anodyne	mid	GDAAMO	COc1cc2[nH+]c(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC	fda
COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC	ZINC000001843099	39/30/17/206393017	WNMJYKCGWZFFKR-CQSZACIVSA-N	0	389.456	GD	1.351	0	Anodyne	ref	GDAARN	COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC	fda
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O	ZINC000003791297	66/48/59/220664859	GBXSMTUPTTWBMN-XIRDDKMYSA-N	-1	376.453	GD	1.605	0	Anodyne	ref	GDAARM	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	fda
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O	ZINC000003814199	18/96/98/560189698	GBXSMTUPTTWBMN-BHYGNILZSA-N	-1	376.453	GD	1.605	0	Anodyne	ref	GDAARM	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	in-vitro
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O	ZINC000003830748	18/97/82/560189782	GBXSMTUPTTWBMN-USXIJHARSA-N	-1	376.453	GD	1.605	0	Anodyne	ref	GDABRM	CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	in-vitro
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21	ZINC000004217399	79/19/97/570791997	KEDYTOTWMPBSLG-HILJTLORSA-N	-2	388.464	GD	1.905	3	Anodyne	high	GDAAHL	C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21	world
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21	ZINC000004217399	79/19/94/570791994	KEDYTOTWMPBSLG-HILJTLORSA-N	-1	388.464	GD	1.905	0	Anodyne	ref	GDAARM	C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21	world
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O	ZINC000012503119	20/04/90/221200490	GBXSMTUPTTWBMN-UAGQMJEPSA-N	-1	376.453	GD	1.605	0	Anodyne	ref	GDAARM	CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	world
O=[S@]1c2ccccc2N=C(N2CCN(CCOCCO)CC2)c2ccccc21	ZINC000021992966	24/48/25/207244825	FXJNLPUSSHEDON-MUUNZHRXSA-N	1	399.516	GD	1.871	2	Anodyne	low	GDAALO	O=[S@]1c2ccccc2N=C(N2CC[NH+](CCOCCO)CC2)c2ccccc21	in-vitro
O=[S@]1c2ccccc2N=C(N2CCN(CCOCCO)CC2)c2ccccc21	ZINC000021992966	24/48/18/207244818	FXJNLPUSSHEDON-MUUNZHRXSA-N	0	399.516	GD	1.871	0	Anodyne	ref	GDAARN	O=[S@]1c2ccccc2N=C(N2CCN(CCOCCO)CC2)c2ccccc21	in-vitro
O=[S@@]1c2ccccc2N=C(N2CCN(CCOCCO)CC2)c2ccccc21	ZINC000021992967	30/12/06/570301206	FXJNLPUSSHEDON-NDEPHWFRSA-N	1	399.516	GD	1.871	2	Anodyne	low	GDAALO	O=[S@@]1c2ccccc2N=C(N2CC[NH+](CCOCCO)CC2)c2ccccc21	in-vitro
O=[S@@]1c2ccccc2N=C(N2CCN(CCOCCO)CC2)c2ccccc21	ZINC000021992967	30/12/04/570301204	FXJNLPUSSHEDON-NDEPHWFRSA-N	0	399.516	GD	1.871	0	Anodyne	ref	GDAARN	O=[S@@]1c2ccccc2N=C(N2CCN(CCOCCO)CC2)c2ccccc21	in-vitro
NCCCC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@@H](CCc1ccccc1)C(=O)O	ZINC000022061869	40/50/04/210405004	FUEMHWCBWYXAOU-SQNIBIBYSA-N	0	387.48	GD	1.403	0	Anodyne	ref	GDAARN	[NH3+]CCCC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@@H](CCc1ccccc1)C(=O)[O-]	in-vitro
NCCCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](CCc1ccccc1)C(=O)O	ZINC000022061871	24/59/42/207245942	FUEMHWCBWYXAOU-BZSNNMDCSA-N	0	387.48	GD	1.403	0	Anodyne	ref	GDAARN	[NH3+]CCCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](CCc1ccccc1)C(=O)[O-]	in-vitro
COc1cc2nc(NCCCN(C)C(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	ZINC000026500424	42/63/34/570426334	HFYGLILDBTWNBI-AWEZNQCLSA-N	1	389.456	GD	1.669	2	Anodyne	low	GDAALO	COc1cc2nc(NCCCN(C)C(=O)[C@@H]3CCCO3)[nH+]c(N)c2cc1OC	in-vitro
COc1cc2nc(NCCCN(C)C(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	ZINC000026500424	42/63/33/570426333	HFYGLILDBTWNBI-AWEZNQCLSA-N	1	389.456	GD	1.669	1	Anodyne	mid	GDAAMO	COc1cc2[nH+]c(NCCCN(C)C(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	in-vitro
COc1cc2nc(NCCCN(C)C(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	ZINC000026500424	42/63/32/570426332	HFYGLILDBTWNBI-AWEZNQCLSA-N	0	389.456	GD	1.669	0	Anodyne	ref	GDAARN	COc1cc2nc(NCCCN(C)C(=O)[C@@H]3CCCO3)nc(N)c2cc1OC	in-vitro
COc1cc2nc(NCCCN(C)C(=O)[C@H]3CCCO3)nc(N)c2cc1OC	ZINC000026500428	42/62/49/570426249	HFYGLILDBTWNBI-CQSZACIVSA-N	1	389.456	GD	1.669	2	Anodyne	low	GDAALO	COc1cc2nc(NCCCN(C)C(=O)[C@H]3CCCO3)[nH+]c(N)c2cc1OC	in-vitro
COc1cc2nc(NCCCN(C)C(=O)[C@H]3CCCO3)nc(N)c2cc1OC	ZINC000026500428	42/62/44/570426244	HFYGLILDBTWNBI-CQSZACIVSA-N	1	389.456	GD	1.669	1	Anodyne	mid	GDAAMO	COc1cc2[nH+]c(NCCCN(C)C(=O)[C@H]3CCCO3)nc(N)c2cc1OC	in-vitro
COc1cc2nc(NCCCN(C)C(=O)[C@H]3CCCO3)nc(N)c2cc1OC	ZINC000026500428	42/62/37/570426237	HFYGLILDBTWNBI-CQSZACIVSA-N	0	389.456	GD	1.669	0	Anodyne	ref	GDAARN	COc1cc2nc(NCCCN(C)C(=O)[C@H]3CCCO3)nc(N)c2cc1OC	in-vitro
COC(=O)C1=C(C)NC(COCCN)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000038358924	57/92/17/570579217	UDSAEMGNQXMCDF-INIZCTEOSA-N	1	394.855	GD	1.876	0	Anodyne	ref	GDAARO	COC(=O)C1=C(C)NC(COCC[NH3+])=C(C(=O)OC)[C@H]1c1ccccc1Cl	in-vitro
COC(=O)C1=C(C)NC(COCCN)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000038358925	57/92/01/570579201	UDSAEMGNQXMCDF-MRXNPFEDSA-N	1	394.855	GD	1.876	0	Anodyne	ref	GDAARO	COC(=O)C1=C(C)NC(COCC[NH3+])=C(C(=O)OC)[C@@H]1c1ccccc1Cl	in-vitro
CCc1ccc(CCOc2ccc(C[C@@H](C(N)=O)S(=O)(=O)O)cc2)nc1	ZINC000067665310	25/30/03/205253003	GKXIVIFUPLEQLN-KRWDZBQOSA-N	-1	378.45	GD	1.55	0	Anodyne	ref	GDAARM	CCc1ccc(CCOc2ccc(C[C@@H](C(N)=O)S(=O)(=O)[O-])cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@H](C(N)=O)S(=O)(=O)O)cc2)nc1	ZINC000067665312	01/48/38/211014838	GKXIVIFUPLEQLN-QGZVFWFLSA-N	-1	378.45	GD	1.55	0	Anodyne	ref	GDAARM	CCc1ccc(CCOc2ccc(C[C@H](C(N)=O)S(=O)(=O)[O-])cc2)nc1	in-vitro