smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([O-])c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC)[C@H](OC)[C@](C)(O)C3=O	ZINC000004214338	561694291	/nfs/dbraw/zinc/69/42/91/561694291.db2.gz	HWMJTJZEJBSVCG-GPDBLRFJSA-N	-2	3	574.535	0.383	10	10	in-man	KCCEHL
CO[C@@H]1C[C@](C)(O)Cc2cc3c(c([O-])c21)C(=O)c1c([O-])cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000004216845	561694509	/nfs/dbraw/zinc/69/45/09/561694509.db2.gz	LWYJUZBXGAFFLP-OCNCTQISSA-N	-2	3	541.553	0.874	10	10	in-man	KCCEHL
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000028232959	561909380	/nfs/dbraw/zinc/90/93/80/561909380.db2.gz	RQIOYWADAKTIJC-VZBJLAIJSA-N	-2	3	639.532	0.721	10	10		KCCEHL
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@H](C)O1	ZINC000077319793	553665078	/nfs/dbraw/zinc/66/50/78/553665078.db2.gz	RQIOYWADAKTIJC-BRHGRERGSA-N	-2	3	639.532	0.721	10	10	in-vitro	KCCEHL