smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)[O-])C[C@@H]3O[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](C)O1	ZINC000005351511	552498353	/nfs/dbraw/zinc/49/83/53/552498353.db2.gz	UOZJSBYGENSCDJ-XDFXLESUSA-N	-1	3	529.498	0.525	10	10	in-vitro	KCCEHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)[O-])C[C@@H]3O[C@H]1C[C@@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000005351514	552498349	/nfs/dbraw/zinc/49/83/49/552498349.db2.gz	UOZJSBYGENSCDJ-KIWFQHPYSA-N	-1	3	529.498	0.525	10	10	in-vitro	KCCEHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)[O-])C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000064499541	562705993	/nfs/dbraw/zinc/70/59/93/562705993.db2.gz	UOZJSBYGENSCDJ-FHRHSTJFSA-N	-1	3	529.498	0.525	10	10		KCCEHM