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@H]([NH3+])C(=O)ONC(=[NH2+])c1ccccc1	ZINC000066078006	187274228	/nfs/dbraw/zinc/27/42/28/187274228.db2.gz	ZDTWUPKDGKQUBL-JTQLQIEISA-N	2	2	235.287	0.833	1	30		BCEFLP
NC(=[NH2+])N[NH+]=Cc1ccc(N2CCOCC2)cc1	ZINC000006189310	132318148	/nfs/dbraw/zinc/31/81/48/132318148.db2.gz	DEKLEPKHEPCFMW-OQLLNIDSSA-N	2	2	247.302	0.131	3	30		BCEFLP
CCn1cc[n+](CC[NH+](C)C)c1C=NO	ZINC000028770049	188110384	/nfs/dbraw/zinc/11/03/84/188110384.db2.gz	KRDUJJXCSPSWRB-UHFFFAOYSA-O	2	2	211.289	0.165	1	30		BCEFLP