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(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2nc[nH]c(=O)c2C1	ZINC000179118606	416183292	/nfs/dbraw/zinc/18/32/92/416183292.db2.gz	LBMCRELFOLZXMK-UHFFFAOYSA-N	-2	2	316.273	0.582	20	5		DCBDLL
C[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1	ZINC001606236202	1170129967	/nfs/dbraw/zinc/12/99/67/1170129967.db2.gz	TWHMZXDRMGQEQV-VIFPVBQESA-N	-2	2	323.305	0.389	20	5		DCBDLL
C[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1	ZINC001606236201	1170130284	/nfs/dbraw/zinc/13/02/84/1170130284.db2.gz	TWHMZXDRMGQEQV-SECBINFHSA-N	-2	2	323.305	0.389	20	5		DCBDLL