smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@@H](NC(=O)OC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000034110122	553980853	/nfs/dbraw/zinc/98/08/53/553980853.db2.gz	XEXULFKIPLAHKX-SJORKVTESA-N	1	0	522.563	0.312	40	5		KCBBRO
CCCC[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)OC	ZINC000085426362	553681621	/nfs/dbraw/zinc/68/16/21/553681621.db2.gz	BTBSGNCHEDEIJB-NICUNNCGSA-N	1	0	721.853	0.356	40	5		KCBBRO