smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(Cc2ccccc2[O-])c([O-])cc(O)c1C(=O)CCc1ccccc1	ZINC000004098325	291137345	/nfs/dbraw/zinc/13/73/45/291137345.db2.gz	WKYGVDYQMIWYES-UHFFFAOYSA-N	-2	3	378.424	4.218	10	0	biogenic,in-vitro	GIAEHL
COc1cc(-c2cc(=O)c3c([O-])cc([O-])c(CC=C(C)C)c3o2)cc(OC)c1O	ZINC000005430809	560201927	/nfs/dbraw/zinc/20/19/27/560201927.db2.gz	FGQYLXHJJYBZGT-UHFFFAOYSA-N	-2	3	398.411	4.103	10	0	biogenic,in-vitro	GIAEHL
COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC)cc(CC=C(C)C)c1O	ZINC000101775737	209243518	/nfs/dbraw/zinc/24/35/18/209243518.db2.gz	TVJIUFQDDVFOCS-UHFFFAOYSA-N	-2	3	398.411	4.103	10	0		GIAEHL
CS(=O)(=O)[N-]c1cc2oc(-c3ccc(F)cc3)c(C(=O)[O-])c2cc1C1CC1	ZINC000095937856	222360889	/nfs/dbraw/zinc/36/08/89/222360889.db2.gz	JFVKDAWQJYGJPJ-UHFFFAOYSA-N	-2	3	389.404	4.186	10	0		GIAEHL
O=C([O-])c1ccc(-c2ccc(Cl)c([N-]S(=O)(=O)c3ccccc3)c2)o1	ZINC000226353211	231037065	/nfs/dbraw/zinc/03/70/65/231037065.db2.gz	FGQGLZWNXDQCIB-UHFFFAOYSA-N	-2	3	377.805	4.099	10	0		GIAEHL
O=P(N=P([O-])([O-])[O-])(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	ZINC000003171605	570331593	/nfs/dbraw/zinc/33/15/93/570331593.db2.gz	CYDYZUYGIDNBTJ-UHFFFAOYSA-N	-3	3	398.075	4.242	10	0		GIAEHL