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)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027330722	561854895	/nfs/dbraw/zinc/85/48/95/561854895.db2.gz	BFBVBPGZHZLSEB-DUSBTPNUSA-N	2	0	617.796	-0.853	10	30		KBEERP
NC(=[NH2+])NCCC[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000029346265	562016254	/nfs/dbraw/zinc/01/62/54/562016254.db2.gz	WIQWZMXJFYDPOU-FCHUYYIVSA-N	2	0	641.690	-0.254	10	30		KBEERP
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000029346269	562016212	/nfs/dbraw/zinc/01/62/12/562016212.db2.gz	WIQWZMXJFYDPOU-VXKWHMMOSA-N	2	0	641.690	-0.254	10	30		KBEERP