smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)[N-]C(=S)NC4=O)[C@@H]3C2)cc1	ZINC000012461834	553366978	/nfs/dbraw/zinc/36/69/78/553366978.db2.gz	YQEQYEUWILXYLG-SFHVURJKSA-N	-1	1	515.573	0.856	50	5		KCBAMM
Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3O)CC2)cc1C(N)=O	ZINC000102799111	555072185	/nfs/dbraw/zinc/07/21/85/555072185.db2.gz	TWABQGWFFAEDDR-UHFFFAOYSA-N	-1	1	592.612	0.685	50	5		KCBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)[N-]C(=S)NC4=O)[C@H]3C2)cc1	ZINC000248113012	572253723	/nfs/dbraw/zinc/25/37/23/572253723.db2.gz	YQEQYEUWILXYLG-GOSISDBHSA-N	-1	1	515.573	0.856	50	5		KCBAMM