smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc2[n-][nH]c(=O)c2c([N+](=O)[O-])c1	ZINC000014983703	363366942	/nfs/dbraw/zinc/36/69/42/363366942.db2.gz	MVUAMCNZIKYEKB-UHFFFAOYSA-N	-2	3	223.144	0.875	10	5		BCBEHL
NCc1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[n-]1	ZINC000072237740	384844551	/nfs/dbraw/zinc/84/45/51/384844551.db2.gz	PQBOBNXTCWHCFJ-UHFFFAOYSA-N	-2	3	235.203	0.544	10	5		BCBEHL
Nc1cc([O-])c(CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000575718388	387425020	/nfs/dbraw/zinc/42/50/20/387425020.db2.gz	FZUIAXWFPRUIMW-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
Nc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1[O-]	ZINC000575718241	387425070	/nfs/dbraw/zinc/42/50/70/387425070.db2.gz	BNNDOCSEEKRWAT-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
Nc1ccc([O-])c(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575718992	387436394	/nfs/dbraw/zinc/43/63/94/387436394.db2.gz	MJAFZCAYYOBUFH-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
Nc1cc(CC(=O)[O-])c([O-])cc1[N+](=O)[O-]	ZINC000575718204	384888802	/nfs/dbraw/zinc/88/88/02/384888802.db2.gz	AQPMDIDIDIGUFT-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
Nc1c([O-])c(CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000575718989	387433289	/nfs/dbraw/zinc/43/32/89/387433289.db2.gz	MGAIKQWQCMTNAV-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
Nc1cc([N+](=O)[O-])cc([O-])c1CC(=O)[O-]	ZINC000575719615	387439400	/nfs/dbraw/zinc/43/94/00/387439400.db2.gz	WEDKVWAFIMTMHT-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
Nc1cc([O-])cc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000575719563	387440622	/nfs/dbraw/zinc/44/06/22/387440622.db2.gz	WSYLRDANTDULDR-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
Nc1ccc([N+](=O)[O-])c(CC(=O)[O-])c1[O-]	ZINC000575718641	387427281	/nfs/dbraw/zinc/42/72/81/387427281.db2.gz	HQHWGIINZNVWPR-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
Nc1c([O-])cc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000575718564	387426107	/nfs/dbraw/zinc/42/61/07/387426107.db2.gz	GHYVCZPDCRABGI-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
O=C([O-])c1nc2[nH]ccc([O-])c-2c1[N+](=O)[O-]	ZINC000095937156	388789780	/nfs/dbraw/zinc/78/97/80/388789780.db2.gz	RLNRNEWVLPMJRZ-UHFFFAOYSA-N	-2	3	223.144	0.875	10	5		BCBEHL
Nc1c([O-])cc([N+](=O)[O-])cc1CC(=O)[O-]	ZINC000575719686	387439883	/nfs/dbraw/zinc/43/98/83/387439883.db2.gz	ZMARILOYINZPMZ-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
O=[N+]([O-])c1[n-]nc2cc([N+](=O)[O-])c([O-])nc21	ZINC000089219883	387409748	/nfs/dbraw/zinc/40/97/48/387409748.db2.gz	UDBUPYXCBOGAGK-UHFFFAOYSA-N	-2	3	225.120	0.480	10	5		BCBEHL
Nc1c(CC(=O)[O-])cc([O-])cc1[N+](=O)[O-]	ZINC000575718891	387427495	/nfs/dbraw/zinc/42/74/95/387427495.db2.gz	JPSBTLCJTXVLNO-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
Nc1c([O-])ccc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575718755	387429073	/nfs/dbraw/zinc/42/90/73/387429073.db2.gz	JTZRVWYKRLURRS-UHFFFAOYSA-N	-2	3	212.161	0.510	10	5		BCBEHL
COC(=O)c1c([O-])ccc([N+](=O)[O-])c1[O-]	ZINC000142967421	345881198	/nfs/dbraw/zinc/88/11/98/345881198.db2.gz	VFGXSVIWUUDBSU-UHFFFAOYSA-N	-2	3	213.145	0.793	10	5		BCBEHL