smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1	ZINC000013095868	553446102	/nfs/dbraw/zinc/44/61/02/553446102.db2.gz	FFZANWWIWPKASH-UHFFFAOYSA-N	2	2	505.597	1.876	50	5		KDBALP