COc1ccc(CCNC(=O)C[C@@H](Cc2ccccc2)C(=O)O)cc1OC	ZINC000002291124	90/88/13/206908813	LNSYHTUJWZZIST-QGZVFWFLSA-N	-1	371.433	FF	2.696	0	Anodyne	ref	FFAARM	COc1ccc(CCNC(=O)C[C@@H](Cc2ccccc2)C(=O)[O-])cc1OC	 
COc1ccc(CCNC(=O)C[C@H](Cc2ccccc2)C(=O)O)cc1OC	ZINC000002291125	03/32/00/204033200	LNSYHTUJWZZIST-KRWDZBQOSA-N	-1	371.433	FF	2.696	0	Anodyne	ref	FFAARM	COc1ccc(CCNC(=O)C[C@H](Cc2ccccc2)C(=O)[O-])cc1OC	 
COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1)OC	ZINC000006294761	08/89/69/210088969	QPEVRSCPZCNNSD-GOSISDBHSA-N	0	367.401	FF	2.884	0	Mild	ref	FFEBRN	COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1)OC	 
COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1)OC	ZINC000006294762	08/89/93/210088993	QPEVRSCPZCNNSD-SFHVURJKSA-N	0	367.401	FF	2.884	0	Mild	ref	FFEBRN	COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1)OC	 
O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000019798492	58/99/26/527589926	LUIXBHYZGXFLKO-KRWDZBQOSA-N	-1	351.358	FF	2.74	0	Mild	ref	FFEARM	O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	 
O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000019798493	59/03/96/527590396	LUIXBHYZGXFLKO-QGZVFWFLSA-N	-1	351.358	FF	2.74	0	Mild	ref	FFEARM	O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1	 
COc1ccc([C@H]2OC(=O)c3cc(OC)c(OC)cc3[C@@H]2C(=O)O)cc1	ZINC000033413974	35/72/76/506357276	IUVYYUBWJRDYKZ-DLBZAZTESA-N	-1	358.346	FF	2.792	0	Anodyne	ref	FFABRM	COc1ccc([C@H]2OC(=O)c3cc(OC)c(OC)cc3[C@@H]2C(=O)[O-])cc1	 
COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1ccc([N+](=O)[O-])cc1)OC2=O	ZINC000033413976	35/80/59/506358059	MMQUHNBTQGXPLY-JKSUJKDBSA-N	-1	373.317	FF	2.692	0	Bother	ref	FFBBRM	COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1ccc([N+](=O)[O-])cc1)OC2=O	 
COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1ccc3c(c1)OCO3)OC2=O	ZINC000033413981	35/73/57/506357357	WAOXLKXHGVZDGO-DLBZAZTESA-N	-1	372.329	FF	2.512	0	Anodyne	ref	FFABRM	COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)OC2=O	 
CCOC(=O)c1nnsc1NC(=O)NCCc1c[nH]c2ccccc12	ZINC000033414061	35/69/01/506356901	JOIUKSSAJRRGIO-UHFFFAOYSA-N	0	359.411	FF	2.56	0	Anodyne	ref	FFAARN	CCOC(=O)c1nnsc1NC(=O)NCCc1c[nH]c2ccccc12	 
COc1ccc(/C(O)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000100404928	56/11/12/536561112	BSCOJSPXVJOZIR-FOCLMDBBSA-N	-1	352.346	FF	2.556	2	Anodyne	low	FFABLM	COc1ccc(C([O-])=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	 
COc1ccc(/C(O)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000100404928	56/10/99/536561099	BSCOJSPXVJOZIR-FOCLMDBBSA-N	-2	352.346	FF	2.556	0	Anodyne	ref	FFABRL	COc1ccc(C([O-])=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(\O)c3ccc(C)cc3)C2=O)cc1	ZINC000100404933	23/28/81/132232881	BMMKJJKUQPCUPM-FOCLMDBBSA-N	0	352.346	FF	2.556	2	Anodyne	low	FFABLN	COc1ccc(-n2c(O)c(C(=O)c3ccc(C)cc3)c(=O)[nH]c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(\O)c3ccc(C)cc3)C2=O)cc1	ZINC000100404933	23/28/80/132232880	BMMKJJKUQPCUPM-FOCLMDBBSA-N	-2	352.346	FF	2.556	0	Anodyne	ref	FFABRL	COc1ccc(N2C(=O)[N-]C(=O)C(=C([O-])c3ccc(C)cc3)C2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(\O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404934	23/27/75/132232775	WVZMFFXUMIBHMK-CCEZHUSRSA-N	-1	372.764	FF	2.901	2	Anodyne	low	FFABLM	COc1ccc(-n2c([O-])c(C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(\O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404934	23/27/74/132232774	WVZMFFXUMIBHMK-CCEZHUSRSA-N	-1	372.764	FF	2.901	2	Anodyne	low	FFABLM	COc1ccc(N2C(=O)NC(=O)C(=C([O-])c3ccc(Cl)cc3)C2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(\O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404934	23/27/72/132232772	WVZMFFXUMIBHMK-CCEZHUSRSA-N	-1	372.764	FF	2.901	2	Anodyne	low	FFABLM	COc1ccc(-n2c(=O)[nH]c([O-])c(C(=O)c3ccc(Cl)cc3)c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(\O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404934	23/27/71/132232771	WVZMFFXUMIBHMK-CCEZHUSRSA-N	-2	372.764	FF	2.901	0	Anodyne	ref	FFABRL	COc1ccc(N2C(=O)[N-]C(=O)C(=C([O-])c3ccc(Cl)cc3)C2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(/O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404936	23/27/53/132232753	WVZMFFXUMIBHMK-PFONDFGASA-N	-1	372.764	FF	2.901	2	Anodyne	low	FFABLM	COc1ccc(-n2c([O-])c(C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(/O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404936	23/27/52/132232752	WVZMFFXUMIBHMK-PFONDFGASA-N	-1	372.764	FF	2.901	2	Anodyne	low	FFABLM	COc1ccc(N2C(=O)NC(=O)C(=C([O-])c3ccc(Cl)cc3)C2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(/O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404936	23/27/51/132232751	WVZMFFXUMIBHMK-PFONDFGASA-N	-1	372.764	FF	2.901	2	Anodyne	low	FFABLM	COc1ccc(-n2c(=O)[nH]c([O-])c(C(=O)c3ccc(Cl)cc3)c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C(/O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404936	23/27/49/132232749	WVZMFFXUMIBHMK-PFONDFGASA-N	-2	372.764	FF	2.901	0	Anodyne	ref	FFABRL	COc1ccc(N2C(=O)[N-]C(=O)C(=C([O-])c3ccc(Cl)cc3)C2=O)cc1	 
CCOc1ccccc1N1C(=O)NC(=O)/C(=C(\O)c2ccccc2)C1=O	ZINC000100404971	23/28/49/132232849	DORARILCRUGAFF-FOCLMDBBSA-N	0	352.346	FF	2.637	2	Anodyne	low	FFABLN	CCOc1ccccc1-n1c(O)c(C(=O)c2ccccc2)c(=O)[nH]c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)/C(=C(\O)c2ccccc2)C1=O	ZINC000100404971	23/28/48/132232848	DORARILCRUGAFF-FOCLMDBBSA-N	-2	352.346	FF	2.637	0	Anodyne	ref	FFABRL	CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C([O-])c2ccccc2)C1=O	 
CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/O)c2ccccc2)C1=O	ZINC000100404974	23/28/23/132232823	DORARILCRUGAFF-NXVVXOECSA-N	0	352.346	FF	2.637	2	Anodyne	low	FFABLN	CCOc1ccccc1-n1c(O)c(C(=O)c2ccccc2)c(=O)[nH]c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/O)c2ccccc2)C1=O	ZINC000100404974	23/28/22/132232822	DORARILCRUGAFF-NXVVXOECSA-N	-2	352.346	FF	2.637	0	Anodyne	ref	FFABRL	CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C([O-])c2ccccc2)C1=O	 
CCOc1ccccc1N1C(=O)NC(=O)/C(=C(\O)c2ccc(C)cc2)C1=O	ZINC000100404977	23/25/91/132232591	ROCBOALUKPLHFC-WUKNDPDISA-N	0	366.373	FF	2.946	2	Anodyne	low	FFABLN	CCOc1ccccc1-n1c(O)c(C(=O)c2ccc(C)cc2)c(=O)[nH]c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)/C(=C(\O)c2ccc(C)cc2)C1=O	ZINC000100404977	23/25/90/132232590	ROCBOALUKPLHFC-WUKNDPDISA-N	-2	366.373	FF	2.946	0	Anodyne	ref	FFABRL	CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C([O-])c2ccc(C)cc2)C1=O	 
CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/O)c2ccc(C)cc2)C1=O	ZINC000100404979	23/28/14/132232814	ROCBOALUKPLHFC-MSUUIHNZSA-N	0	366.373	FF	2.946	2	Anodyne	low	FFABLN	CCOc1ccccc1-n1c(O)c(C(=O)c2ccc(C)cc2)c(=O)[nH]c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/O)c2ccc(C)cc2)C1=O	ZINC000100404979	23/28/12/132232812	ROCBOALUKPLHFC-MSUUIHNZSA-N	-2	366.373	FF	2.946	0	Anodyne	ref	FFABRL	CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C([O-])c2ccc(C)cc2)C1=O