smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1Cn1[nH]c(=O)c2cc([N+](=O)[O-])ccc21	ZINC000006424842	170199826	/nfs/dbraw/zinc/19/98/26/170199826.db2.gz	VTSOYKJSMOBYQD-UHFFFAOYSA-N	-1	0	299.286	2.707	1	5		CFBFRM
C[C@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1[N+](=O)[O-]	ZINC000072104599	176316085	/nfs/dbraw/zinc/31/60/85/176316085.db2.gz	OIHMEAZGEPONSY-ONGXEEELSA-N	-1	0	291.303	2.695	1	5		CFBFRM
O=Cc1ccc([S-])c([N+](=O)[O-])c1Cc1ccco1	ZINC000086863139	527151148	/nfs/dbraw/zinc/15/11/48/527151148.db2.gz	HBTYCEAZHAQJDY-UHFFFAOYSA-N	-1	0	263.274	2.880	2	5		CFBFRM
O=Nc1c2ccccc2c2nc(O)c3[nH]c(C(=O)[O-])cn3c1-2	ZINC000028226280	581102253	/nfs/dbraw/zinc/10/22/53/581102253.db2.gz	JEFXBWCRLKDZEO-UHFFFAOYSA-N	-1	0	296.242	2.722	1	5		CFBFRM
COc1ccc2c(c1)c(=O)c1ccccc1n2/C=C/C(=O)[O-]	ZINC000005550286	170112039	/nfs/dbraw/zinc/11/20/39/170112039.db2.gz	HSEYUTQESBHBCS-CMDGGOBGSA-N	-1	0	295.294	2.719	1	5		CFBFRM
C[C@@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1[N+](=O)[O-]	ZINC000072104600	176315984	/nfs/dbraw/zinc/31/59/84/176315984.db2.gz	OIHMEAZGEPONSY-KOLCDFICSA-N	-1	0	291.303	2.695	1	5		CFBFRM
C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1[N+](=O)[O-]	ZINC000072104601	176315995	/nfs/dbraw/zinc/31/59/95/176315995.db2.gz	OIHMEAZGEPONSY-GXSJLCMTSA-N	-1	0	291.303	2.695	1	5		CFBFRM
C[C@H](O)c1cccc2nc3c(cccc3C(=O)[O-])nc21	ZINC000004102346	560196865	/nfs/dbraw/zinc/19/68/65/560196865.db2.gz	OWDPOEGUZYTAJW-QMMMGPOBSA-N	-1	0	268.272	2.535	1	5	in-vitro	CFBFRM
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1[O-]	ZINC000095558207	185008906	/nfs/dbraw/zinc/00/89/06/185008906.db2.gz	SSXLAJDBZFYARY-UHFFFAOYSA-N	-1	0	299.695	2.663	1	5		CFBFRM
CC(C)(O)[C@H]1Cc2c(c3ccccc3c([N+](=O)[O-])c2[O-])O1	ZINC000040639402	174363618	/nfs/dbraw/zinc/36/36/18/174363618.db2.gz	LLMQHKRCYFLNDK-LLVKDONJSA-N	-1	0	289.287	2.528	1	5		CFBFRM
Cc1c(O)ccc2c3ccc([O-])c(F)c3oc(=O)c12	ZINC000028571907	171564619	/nfs/dbraw/zinc/56/46/19/171564619.db2.gz	UDOXPBLYMBAGJR-UHFFFAOYSA-N	-1	0	260.220	2.805	1	5		CFBFRM
CCc1ccc2oc3nc(C)c(C(=O)[O-])cc3c(=O)c2c1	ZINC000011769295	170440718	/nfs/dbraw/zinc/44/07/18/170440718.db2.gz	RTANZNCHBVPSGP-UHFFFAOYSA-N	-1	0	283.283	2.910	1	5		CFBFRM
C[C@@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1[N+](=O)[O-]	ZINC000072104602	176316142	/nfs/dbraw/zinc/31/61/42/176316142.db2.gz	OIHMEAZGEPONSY-MWLCHTKSSA-N	-1	0	291.303	2.695	1	5		CFBFRM
Cc1ccc2c(=O)c3cccc(CC(=O)[O-])c3[nH]c2c1C	ZINC000005504101	170105352	/nfs/dbraw/zinc/10/53/52/170105352.db2.gz	MEQJFSAWXQUBEB-UHFFFAOYSA-N	-1	0	281.311	2.925	1	5		CFBFRM
O=C([O-])/C=C/n1c2ccccc2c(=O)c2ccccc21	ZINC000005594087	170117714	/nfs/dbraw/zinc/11/77/14/170117714.db2.gz	QCQZQTBAJDIMLO-MDZDMXLPSA-N	-1	0	265.268	2.710	1	5		CFBFRM
COc1cc2cc([O-])c3c(=O)cc(C)oc3c2c(OC)c1	ZINC000013373686	574413189	/nfs/dbraw/zinc/41/31/89/574413189.db2.gz	ARXPDHLVDOYIPX-UHFFFAOYSA-N	-1	0	286.283	2.977	1	5	endogenous,in-man	CFBFRM
O=[N+]([O-])c1cccc2[nH]c3cc([O-])c([N+](=O)[O-])cc3c21	ZINC000073330891	176467252	/nfs/dbraw/zinc/46/72/52/176467252.db2.gz	XXNPDSVYGMLCHO-UHFFFAOYSA-N	-1	0	273.204	2.843	1	5		CFBFRM
O=[N+]([O-])c1ccc([O-])c(-n2nncc2-c2ccccc2)c1	ZINC000038601789	174149182	/nfs/dbraw/zinc/14/91/82/174149182.db2.gz	ANUIERZLOCVFPT-UHFFFAOYSA-N	-1	0	282.259	2.548	1	5		CFBFRM
COc1ccc2c(=O)c3ccccc3oc2c1CC(=O)[O-]	ZINC000027890573	171536813	/nfs/dbraw/zinc/53/68/13/171536813.db2.gz	KLQDHBHRRABLHT-UHFFFAOYSA-N	-1	0	284.267	2.582	1	5		CFBFRM
CC(C)(O)[C@@H]1Cc2c(c3ccccc3c([N+](=O)[O-])c2[O-])O1	ZINC000040639400	174363780	/nfs/dbraw/zinc/36/37/80/174363780.db2.gz	LLMQHKRCYFLNDK-NSHDSACASA-N	-1	0	289.287	2.528	1	5		CFBFRM