smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O)cc(O)c1O	ZINC000006483599	440994731	/nfs/dbraw/zinc/99/47/31/440994731.db2.gz	CFYMYCCYMJIYAB-UHFFFAOYSA-N	-2	3	332.264	1.997	10	10	in-vitro	EDCEHL
CC(=O)Oc1cc(C(=O)[O-])cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000038441545	278222608	/nfs/dbraw/zinc/22/26/08/278222608.db2.gz	FRIXMWPJYKVOCV-UHFFFAOYSA-N	-2	3	326.260	1.791	10	10	in-vitro	EDCEHL
COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1	ZINC000014647251	560223800	/nfs/dbraw/zinc/22/38/00/560223800.db2.gz	XWTLYULBWZQAAZ-UHFFFAOYSA-N	-3	3	332.264	1.997	10	10	biogenic,in-vitro	EDCEHL
O=C1c2cc3c(c([O-])c2C(=O)c2c(O)cc([O-])cc21)[C@@H]1C=CO[C@@H]1O3	ZINC000005372224	560201493	/nfs/dbraw/zinc/20/14/93/560201493.db2.gz	SJNDYXPJRUTLNW-ULCDLSAGSA-N	-2	3	338.271	1.925	10	10	in-vitro	EDCEHL