smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c2c(c(N3CCNCC3)c([N+](=O)[O-])c1N1CCOCC1)Oc1ccccc1O2	ZINC000020533745	527323073	/nfs/dbraw/zinc/32/30/73/527323073.db2.gz	HLJGOHSGRKDWOG-UHFFFAOYSA-N	0	3	443.416	2.647	10	5		IFBEHN
CCN(CC)CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000027618892	563044469	/nfs/dbraw/zinc/04/44/69/563044469.db2.gz	WBVCXCZYDJYUPR-UHFFFAOYSA-N	0	3	429.882	2.785	10	5		IFBEHN