smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([O-])c(CN2CCN(S(=O)(=O)N(C)C)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079189090	553666943	/nfs/dbraw/zinc/66/69/43/553666943.db2.gz	XQFOAQWCTWXZON-NSJDZECESA-N	-1	3	533.556	-2.277	50	10	biogenic	KACAHM
COc1c([O-])c(CN2CCN(S(C)(=O)=O)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079191670	553668420	/nfs/dbraw/zinc/66/84/20/553668420.db2.gz	XGWDDHZGWVTALT-DGOWFPMBSA-N	-1	3	504.514	-2.123	50	10	biogenic	KACAHM
COc1c([O-])c(CN2CCN(S(C)(=O)=O)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622042	1066207094	/nfs/dbraw/zinc/20/70/94/1066207094.db2.gz	XGWDDHZGWVTALT-NGPVWFLWSA-N	-1	3	504.514	-2.123	50	10		KACAHM
COc1c([O-])c(CN2CCN(S(C)(=O)=O)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622043	1066207059	/nfs/dbraw/zinc/20/70/59/1066207059.db2.gz	XGWDDHZGWVTALT-OTRUISIASA-N	-1	3	504.514	-2.123	50	10		KACAHM
COc1c([O-])c(CN2CCN(S(C)(=O)=O)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000170622044	1066207073	/nfs/dbraw/zinc/20/70/73/1066207073.db2.gz	XGWDDHZGWVTALT-OAATTZOGSA-N	-1	3	504.514	-2.123	50	10		KACAHM