smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(N)=O)cc(C4=[NH+]CCN4)c3)cc2)cc(C2=NCCN2)c1	ZINC000001662465	551688393	/nfs/dbraw/zinc/68/83/93/551688393.db2.gz	FNXIZGCMHLSQBQ-UHFFFAOYSA-N	1	3	538.568	1.089	40	0		KDABHO
CNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NC)cc(C4=[NH+]CCN4)c3)cc2)cc(C2=NCCN2)c1	ZINC000001662466	551688352	/nfs/dbraw/zinc/68/83/52/551688352.db2.gz	BCLOBYCBCWICIF-UHFFFAOYSA-N	1	3	566.622	1.610	40	0		KDABHO
COCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]CCCOC)cc2)cc1	ZINC000004783074	552481848	/nfs/dbraw/zinc/48/18/48/552481848.db2.gz	CCXKBADYGZKUKD-UHFFFAOYSA-N	1	3	506.625	1.649	40	0		KDABHO
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)ccc12	ZINC000071788382	553638673	/nfs/dbraw/zinc/63/86/73/553638673.db2.gz	UBDSSFSCFSBQIR-TZYHBYERSA-N	1	3	521.618	1.728	40	0		KDABHO