smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CC[NH+](C)CC4)c([N+](=O)[O-])c3)CC2)cc1C(N)=O	ZINC000014074881	553499837	/nfs/dbraw/zinc/49/98/37/553499837.db2.gz	MESNZBLCPXNTER-UHFFFAOYSA-N	1	1	519.584	-0.069	50	5		KBBAMO
CC1(C)O[C@H]2O[C@H]([C@H](O)C[N@@H+](C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)[C@H](O)[C@H]2O1	ZINC000261493234	572111997	/nfs/dbraw/zinc/11/19/97/572111997.db2.gz	INEXGVIWXUFFLU-HCVQLXTOSA-N	1	1	788.757	-0.981	50	5		KBBAMO