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@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc([O-])c2c([O-])c3c(=O)ccc(O)c-3oc12	ZINC000096111568	560061233	/nfs/dbraw/zinc/06/12/33/560061233.db2.gz	YLXVKDCXOBNAQO-SGVZLWMLSA-N	-2	3	452.368	-0.750	40	5	biogenic,in-vitro	JBBBHL
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(=O)c2c([O-])c3c([O-])ccc(O)c3oc1-2	ZINC000096111568	560061230	/nfs/dbraw/zinc/06/12/30/560061230.db2.gz	YLXVKDCXOBNAQO-SGVZLWMLSA-N	-2	3	452.368	-0.750	40	5	biogenic,in-vitro	JBBBHL