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]([NH3+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F)[C@@H](C)O)[C@@H](C)CC	ZINC000095564707	562764405	/nfs/dbraw/zinc/76/44/05/562764405.db2.gz	RSMWNMNQGQHIEK-JUKXBMAYSA-N	1	0	510.673	0.587	1	70		KCIFRO