smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004556582	1066439454	/nfs/dbraw/zinc/43/94/54/1066439454.db2.gz	GPVLFJQPHXESFM-IMNFJDCFSA-N	1	3	526.638	2.248	50	5		KEBAHO