smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(C(=O)O)[n-]c1[N+](=O)[O-]	82162664	166316832	/nfs/dbraw/zinc/31/68/32/166316832.db2.gz	JGZPQCFNNYZOAV-UHFFFAOYSA-N	-1	1	198.134	0.824	20	5		ACBDMM
O=[N+]([O-])c1nc(Cl)c[n-]1	95935696	171140729	/nfs/dbraw/zinc/14/07/29/171140729.db2.gz	NYRMOYGIWWDUBA-UHFFFAOYSA-N	-1	1	147.521	0.971	20	5		ACBDMM
Cc1nc(=O)[n-]c(C)c1[N+](=O)[O-]	95496210	343683960	/nfs/dbraw/zinc/68/39/60/343683960.db2.gz	JOVXIJKAFXOLRM-UHFFFAOYSA-N	-1	1	169.140	0.295	20	5		ACBDMM
CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	614293152	347070000	/nfs/dbraw/zinc/07/00/00/347070000.db2.gz	ZNNUVUJOCDLZAY-UHFFFAOYSA-N	-1	1	197.150	0.055	20	5		ACBDMM