COc1ccc(-c2c[n+]([O-])c(N)c(C(=O)OCc3ccccc3)n2)cc1	ZINC000000690081	94/32/65/203943265	PIWHIYCYEXHSHO-UHFFFAOYSA-N	0	351.362	FE	2.33	0	Anodyne	ref	FEAARN	COc1ccc(-c2c[n+]([O-])c(N)c(C(=O)OCc3ccccc3)n2)cc1	 
Nc1c(C(=O)OCc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)c[n+]1[O-]	ZINC000002023757	42/42/88/219424288	SHRFGKVLXMHORO-UHFFFAOYSA-N	0	366.333	FE	2.229	0	Bother	ref	FEBARN	Nc1c(C(=O)OCc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)c[n+]1[O-]	 
COc1cc(C=O)c(-c2c(C=O)cc(OC)c3c2OCO3)c2c1OCO2	ZINC000002028658	02/39/31/204023931	NETXKYSBVFQWBE-UHFFFAOYSA-N	0	358.302	FE	2.453	0	Anodyne	ref	FEAARN	COc1cc(C=O)c(-c2c(C=O)cc(OC)c3c2OCO3)c2c1OCO2	 
O=Cc1c(I)ccc(I)c1O	ZINC000004099417	37/66/70/539376670	BMCNAFSIILXMDK-UHFFFAOYSA-N	0	373.915	FE	2.414	2	Anodyne	low	FEAALN	O=Cc1c(I)ccc(I)c1O	 
O=Cc1c(I)ccc(I)c1O	ZINC000004099417	37/66/67/539376667	BMCNAFSIILXMDK-UHFFFAOYSA-N	-1	373.915	FE	2.414	0	Anodyne	ref	FEAARM	O=Cc1c(I)ccc(I)c1[O-]	 
Cc1[nH]c(=O)c(C(=O)c2cc(Br)ccc2O)cc1C(=O)O	ZINC000006694193	26/03/29/204260329	CFWIDQWDROMJJL-UHFFFAOYSA-N	-1	352.14	FE	2.081	2	Anodyne	low	FEAALM	Cc1[nH]c(=O)c(C(=O)c2cc(Br)ccc2O)cc1C(=O)[O-]	 
Cc1[nH]c(=O)c(C(=O)c2cc(Br)ccc2O)cc1C(=O)O	ZINC000006694193	26/03/26/204260326	CFWIDQWDROMJJL-UHFFFAOYSA-N	-2	352.14	FE	2.081	0	Anodyne	ref	FEAARL	Cc1[nH]c(=O)c(C(=O)c2cc(Br)ccc2[O-])cc1C(=O)[O-]	 
Cc1ccc(S(=O)(=O)n2ccc3c(N4CCOCC4)ccnc32)cc1	ZINC000036719637	99/34/84/539993484	CXBQVYUOVRHGSV-UHFFFAOYSA-N	0	357.435	FE	2.418	0	Anodyne	ref	FEAARN	Cc1ccc(S(=O)(=O)n2ccc3c(N4CCOCC4)ccnc32)cc1	 
CN1CCN(C[C@@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1	ZINC000096316074	99/75/56/542997556	SPNKJTWDXPBXOO-ACJLOTCBSA-N	0	360.845	FE	2.416	1	Mild	mid	FEEAMN	CN1CCN(C[C@@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1	 
CN1CCN(C[C@@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1	ZINC000096316074	99/75/51/542997551	SPNKJTWDXPBXOO-ACJLOTCBSA-N	1	360.845	FE	2.416	0	Mild	ref	FEEARO	C[NH+]1CCN(C[C@@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1	 
CN1CCN(C[C@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1	ZINC000096316075	99/77/78/542997778	SPNKJTWDXPBXOO-UGSOOPFHSA-N	0	360.845	FE	2.416	1	Mild	mid	FEEAMN	CN1CCN(C[C@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1	 
CN1CCN(C[C@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1	ZINC000096316075	99/77/76/542997776	SPNKJTWDXPBXOO-UGSOOPFHSA-N	1	360.845	FE	2.416	0	Mild	ref	FEEARO	C[NH+]1CCN(C[C@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1	 
CN1CCN(C[C@@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1	ZINC000096316076	99/80/52/542998052	SPNKJTWDXPBXOO-FZKQIMNGSA-N	0	360.845	FE	2.416	1	Mild	mid	FEEAMN	CN1CCN(C[C@@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1	 
CN1CCN(C[C@@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1	ZINC000096316076	99/80/48/542998048	SPNKJTWDXPBXOO-FZKQIMNGSA-N	1	360.845	FE	2.416	0	Mild	ref	FEEARO	C[NH+]1CCN(C[C@@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1	 
CN1CCN(C[C@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1	ZINC000096316077	99/81/12/542998112	SPNKJTWDXPBXOO-SCLBCKFNSA-N	0	360.845	FE	2.416	1	Mild	mid	FEEAMN	CN1CCN(C[C@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1	 
CN1CCN(C[C@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1	ZINC000096316077	99/81/09/542998109	SPNKJTWDXPBXOO-SCLBCKFNSA-N	1	360.845	FE	2.416	0	Mild	ref	FEEARO	C[NH+]1CCN(C[C@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1	 
COC(=O)[C@@H](Cc1c(-c2ccccc2)noc1C)CN1CCN(C)CC1	ZINC000096316082	99/75/88/542997588	JOTRGYDILFCOFW-KRWDZBQOSA-N	1	357.454	FE	2.229	1	Anodyne	mid	FEAAMO	COC(=O)[C@@H](Cc1c(-c2ccccc2)noc1C)C[NH+]1CCN(C)CC1	 
COC(=O)[C@@H](Cc1c(-c2ccccc2)noc1C)CN1CCN(C)CC1	ZINC000096316082	99/75/83/542997583	JOTRGYDILFCOFW-KRWDZBQOSA-N	0	357.454	FE	2.229	1	Anodyne	mid	FEAAMN	COC(=O)[C@@H](Cc1c(-c2ccccc2)noc1C)CN1CCN(C)CC1	 
COC(=O)[C@@H](Cc1c(-c2ccccc2)noc1C)CN1CCN(C)CC1	ZINC000096316082	99/75/80/542997580	JOTRGYDILFCOFW-KRWDZBQOSA-N	1	357.454	FE	2.229	0	Anodyne	ref	FEAARO	COC(=O)[C@@H](Cc1c(-c2ccccc2)noc1C)CN1CC[NH+](C)CC1	 
COC(=O)[C@H](Cc1c(-c2ccccc2)noc1C)CN1CCN(C)CC1	ZINC000096316083	14/99/80/209149980	JOTRGYDILFCOFW-QGZVFWFLSA-N	1	357.454	FE	2.229	1	Anodyne	mid	FEAAMO	COC(=O)[C@H](Cc1c(-c2ccccc2)noc1C)C[NH+]1CCN(C)CC1	 
COC(=O)[C@H](Cc1c(-c2ccccc2)noc1C)CN1CCN(C)CC1	ZINC000096316083	14/99/73/209149973	JOTRGYDILFCOFW-QGZVFWFLSA-N	0	357.454	FE	2.229	1	Anodyne	mid	FEAAMN	COC(=O)[C@H](Cc1c(-c2ccccc2)noc1C)CN1CCN(C)CC1	 
COC(=O)[C@H](Cc1c(-c2ccccc2)noc1C)CN1CCN(C)CC1	ZINC000096316083	14/99/69/209149969	JOTRGYDILFCOFW-QGZVFWFLSA-N	1	357.454	FE	2.229	0	Anodyne	ref	FEAARO	COC(=O)[C@H](Cc1c(-c2ccccc2)noc1C)CN1CC[NH+](C)CC1	 
O=C(O)/C=C\C(=O)OCCCCCCCCCCOC(=O)/C=C\C(=O)O	ZINC000100714672	25/03/10/222250310	MUIVCYSAOWLAIZ-HWAYABPNSA-N	-2	370.398	FE	2.475	0	Anodyne	ref	FEAARL	O=C([O-])/C=C\C(=O)OCCCCCCCCCCOC(=O)/C=C\C(=O)[O-]	 
C[C@@H](Br)C(=O)N1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C	ZINC000140465220	40/92/42/544409242	AXBASCJFVFRIAL-VWMGYNLJSA-N	0	350.278	FE	2.137	0	Anodyne	ref	FEABRN	C[C@@H](Br)C(=O)N1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C