smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c([O-])c2ccccc21	ZINC000100502048	205945004	/nfs/dbraw/zinc/94/50/04/205945004.db2.gz	QETQBQXFHOFEMZ-UHFFFAOYSA-N	-1	2	369.333	2.593	50	5		FFBALM
O=C([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000012847817	206296545	/nfs/dbraw/zinc/29/65/45/206296545.db2.gz	GNAOVRRWAOUBDE-UHFFFAOYSA-N	-1	2	356.743	2.747	50	5		FFBALM
CCOC(=O)c1cnc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000095455295	508186530	/nfs/dbraw/zinc/18/65/30/508186530.db2.gz	XRQTWWDVKLNIHA-HWKANZROSA-N	-1	2	358.306	2.741	50	5		FFBALM
CCOC(=O)c1cnc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000222078698	509310276	/nfs/dbraw/zinc/31/02/76/509310276.db2.gz	XRQTWWDVKLNIHA-HYXAFXHYSA-N	-1	2	358.306	2.741	50	5		FFBALM
O=C([O-])c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000020255004	220320406	/nfs/dbraw/zinc/32/04/06/220320406.db2.gz	ZAAUOKJIOITHHV-UHFFFAOYSA-N	-1	2	356.743	2.747	50	5		FFBALM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1	ZINC000012865972	220036680	/nfs/dbraw/zinc/03/66/80/220036680.db2.gz	NIAXTTAACLZKNX-UHFFFAOYSA-N	-1	2	374.733	2.886	50	5		FFBALM