smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](OC(=O)N[C@H](C(=O)[O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-]	ZINC000098052541	557089789	/nfs/dbraw/zinc/08/97/89/557089789.db2.gz	HEJYBLHNZFMIKT-PSLIRLAXSA-N	-3	0	432.341	2.604	10	5	in-vitro	IFBERL
C[C@H](OC(=O)N[C@H](C(=O)[O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-]	ZINC000098052540	557090396	/nfs/dbraw/zinc/09/03/96/557090396.db2.gz	HEJYBLHNZFMIKT-VFZGTOFNSA-N	-3	0	432.341	2.604	10	5	in-vitro	IFBERL