C[C@H](c1ncncc1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000000000842	54/02/35/462540235	BCEHBSKCWLPMDN-HWPZZCPQSA-N	0	349.316	EE	2.177	0	Anodyne	ref	EEAARN	C[C@H](c1ncncc1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	in-vitro
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1	ZINC000000004076	54/02/97/462540297	AMKVXSZCKVJAGH-UHFFFAOYSA-N	1	335.473	EE	2.069	0	Anodyne	ref	EEAARO	CNS(=O)(=O)CCc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1	fda
C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000004319	54/03/51/462540351	SGUAFYQXFOLMHL-ACJLOTCBSA-N	0	328.412	EE	2.135	3	Anodyne	high	EEAAHN	C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccc([O-])c(C(N)=O)c1	fda
C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000004319	54/03/46/462540346	SGUAFYQXFOLMHL-ACJLOTCBSA-N	1	328.412	EE	2.135	0	Anodyne	ref	EEAARO	C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(C(N)=O)c1	fda
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12	ZINC000000018087	54/02/06/462540206	WKEMJKQOLOHJLZ-UHFFFAOYSA-N	1	335.473	EE	2.198	0	Anodyne	ref	EEAARO	C[NH+](C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12	fda
CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1	ZINC000000156792	54/44/19/462544419	GOEMGAFJFRBGGG-HNNXBMFYSA-N	1	336.432	EE	2.365	0	Anodyne	ref	EEAARO	CCCC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C(C)=O)c1	fda
O=C(O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O	ZINC000000225924	23/01/18/304230118	LFBALUPVVFCEPA-UHFFFAOYSA-N	-4	330.248	EE	2.146	0	Anodyne	ref	EEAARL	O=C([O-])c1ccc(-c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1C(=O)[O-]	 
CCOC(=O)[C@H](Cc1ccc(N)cc1)N1C(=O)c2ccccc2C1=O	ZINC000000262281	55/16/45/462551645	RYROTMZMTMCWEP-INIZCTEOSA-N	0	338.363	EE	2.039	0	Clean	ref	EECARN	CCOC(=O)[C@H](Cc1ccc(N)cc1)N1C(=O)c2ccccc2C1=O	 
CCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC	ZINC000000384752	55/82/14/462558214	UAFIHVRUICMADE-UHFFFAOYSA-N	0	330.388	EE	2.123	0	Anodyne	ref	EEAARN	CCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC	in-vitro
CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1	ZINC000000968255	57/43/91/462574391	GOEMGAFJFRBGGG-OAHLLOKOSA-N	1	336.432	EE	2.365	0	Anodyne	ref	EEAARO	CCCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1	fda
CCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccccc1	ZINC000002033840	58/92/41/462589241	DGMKFQYCZXERLX-OAHLLOKOSA-N	-1	334.416	EE	2.298	0	Anodyne	ref	EEAARM	CCCN(CCC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1	in-man
CCCN(CCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1ccccc1	ZINC000002033841	58/93/58/462589358	DGMKFQYCZXERLX-HNNXBMFYSA-N	-1	334.416	EE	2.298	0	Anodyne	ref	EEAARM	CCCN(CCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccccc1	in-man
Cc1ccc(S(=O)(=O)OC[C@H](O)COCc2ccccc2)cc1	ZINC000002504680	59/57/02/462595702	HBMUWOSOGHUWSS-MRXNPFEDSA-N	0	336.409	EE	2.278	0	Mild	ref	EEEARN	Cc1ccc(S(=O)(=O)OC[C@H](O)COCc2ccccc2)cc1	 
NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	ZINC000002560721	86/71/52/209867152	ZZDRDGKSMGGBDI-KRWDZBQOSA-N	0	340.379	EE	2.327	0	Anodyne	ref	EEAARN	[NH3+]CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	 
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1	ZINC000002599970	87/12/80/209871280	BPZSYCZIITTYBL-YJYMSZOUSA-N	0	344.411	EE	2.223	3	Anodyne	high	EEAAHN	COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([O-])c(NC=O)c2)cc1	fda
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1	ZINC000002599970	87/12/76/209871276	BPZSYCZIITTYBL-YJYMSZOUSA-N	1	344.411	EE	2.223	0	Anodyne	ref	EEAARO	COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(NC=O)c2)cc1	fda
Cc1ccc(S(=O)(=O)OC[C@@H](O)COCc2ccccc2)cc1	ZINC000004537760	63/41/71/462634171	HBMUWOSOGHUWSS-INIZCTEOSA-N	0	336.409	EE	2.278	0	Mild	ref	EEEBRN	Cc1ccc(S(=O)(=O)OC[C@@H](O)COCc2ccccc2)cc1	 
CCN(CC)C(=N)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O	ZINC000004899854	31/62/49/210316249	PDZKOXOIRMROAB-LBPRGKRZSA-N	0	344.456	EE	2.001	0	Anodyne	ref	EEAARN	CCN(CC)C(=[NH2+])NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	 
COC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019314834	01/46/00/212014600	JPXPPUOCSLMCHK-AWEZNQCLSA-N	-1	332.312	EE	2.087	0	Bother	ref	EEBARM	COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1	in-vitro
COC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019314837	01/40/77/212014077	JPXPPUOCSLMCHK-CQSZACIVSA-N	-1	332.312	EE	2.087	0	Bother	ref	EEBARM	COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1	in-vitro
OCCOCCN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000019364667	02/09/83/212020983	OXBBIHZWNDPBMQ-UHFFFAOYSA-N	1	340.467	EE	2.402	2	Anodyne	low	EEAALO	OCCOCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1	in-man
OCCOCCN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000019364667	02/09/81/212020981	OXBBIHZWNDPBMQ-UHFFFAOYSA-N	0	340.467	EE	2.402	1	Anodyne	mid	EEAAMN	OCCOCCN1CCN(C(c2ccccc2)c2ccccc2)CC1	in-man
OCCOCCN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000019364667	02/09/75/212020975	OXBBIHZWNDPBMQ-UHFFFAOYSA-N	1	340.467	EE	2.402	0	Anodyne	ref	EEAARO	OCCOCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	in-man
Cc1ccc(S(=O)(=O)OCCc2cccc3c2CC(=O)N3)cc1	ZINC000022005674	27/02/59/212270259	OGFUVAXFYGBCAK-UHFFFAOYSA-N	0	331.393	EE	2.438	0	Mild	ref	EEEARN	Cc1ccc(S(=O)(=O)OCCc2cccc3c2CC(=O)N3)cc1	in-vitro
C=CCOC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O	ZINC000033669931	42/33/73/463423373	WSUYYYMWIGBPJO-NSHDSACASA-N	-1	330.381	EE	2.047	0	Mild	ref	EEEARM	C=CCOC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	 
O=C(N1C[C@H]2C[C@@H](C1)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc12)C(F)(F)F	ZINC000034433610	69/93/37/303699337	BDTXJBWOCIFUMR-KNVOCYPGSA-N	0	345.233	EE	2.478	0	Bother	ref	EEBARN	O=C(N1C[C@H]2C[C@@H](C1)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc12)C(F)(F)F	in-vitro
O=C(O)c1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(C(=O)O)c2)c1	ZINC000034751368	22/36/26/304223626	QURGMSIQFRADOZ-UHFFFAOYSA-N	-4	330.248	EE	2.146	0	Anodyne	ref	EEAARL	O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	 
CCNC(=N)N(CC)CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O	ZINC000082048650	49/39/80/203493980	CURZUFUAQVRBCX-GFCCVEGCSA-N	0	344.456	EE	2.001	0	Anodyne	ref	EEAARN	CCNC(=[NH2+])N(CC)CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	 
O=C(O)[C@@H]1CN(C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@@H]2CCCC[C@@H]12	ZINC000148191228	39/90/18/463399018	GXHCPYSRYPMQFS-IAOMBJDPSA-N	0	326.396	EE	2.131	1	Anodyne	mid	EEABMN	O=C([O-])[C@@H]1C[N@H+](C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@@H]2CCCC[C@@H]12	 
O=C(O)[C@@H]1CN(C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@@H]2CCCC[C@@H]12	ZINC000148191228	39/90/05/463399005	GXHCPYSRYPMQFS-IAOMBJDPSA-N	0	326.396	EE	2.131	0	Anodyne	ref	EEABRN	O=C([O-])[C@@H]1C[N@@H+](C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@@H]2CCCC[C@@H]12	 
O=C(O)[C@@H]1CN(C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@H]2CCCC[C@@H]12	ZINC000203901846	07/29/02/564072902	GXHCPYSRYPMQFS-UQCMEYCASA-N	0	326.396	EE	2.131	1	Anodyne	mid	EEABMN	O=C([O-])[C@@H]1C[N@H+](C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@H]2CCCC[C@@H]12	 
O=C(O)[C@@H]1CN(C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@H]2CCCC[C@@H]12	ZINC000203901846	07/29/01/564072901	GXHCPYSRYPMQFS-UQCMEYCASA-N	0	326.396	EE	2.131	0	Anodyne	ref	EEABRN	O=C([O-])[C@@H]1C[N@@H+](C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@H]2CCCC[C@@H]12	 
O=C(O)[C@@H]1CN(C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@@H]2CCCC[C@H]12	ZINC000203901862	07/29/19/564072919	GXHCPYSRYPMQFS-KSHAWTQOSA-N	0	326.396	EE	2.131	1	Anodyne	mid	EEABMN	O=C([O-])[C@@H]1C[N@H+](C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@@H]2CCCC[C@H]12	 
O=C(O)[C@@H]1CN(C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@@H]2CCCC[C@H]12	ZINC000203901862	07/29/18/564072918	GXHCPYSRYPMQFS-KSHAWTQOSA-N	0	326.396	EE	2.131	0	Anodyne	ref	EEABRN	O=C([O-])[C@@H]1C[N@@H+](C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@@H]2CCCC[C@H]12	 
O=C(O)[C@@H]1CN(C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@H]2CCCC[C@H]12	ZINC000203901876	07/29/29/564072929	GXHCPYSRYPMQFS-QYHDQYMBSA-N	0	326.396	EE	2.131	1	Anodyne	mid	EEABMN	O=C([O-])[C@@H]1C[N@H+](C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@H]2CCCC[C@H]12	 
O=C(O)[C@@H]1CN(C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@H]2CCCC[C@H]12	ZINC000203901876	07/29/28/564072928	GXHCPYSRYPMQFS-QYHDQYMBSA-N	0	326.396	EE	2.131	0	Anodyne	ref	EEABRN	O=C([O-])[C@@H]1C[N@@H+](C2=CC3=C[C@H]4CC(=C2)N3CC4=O)[C@H]2CCCC[C@H]12