smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C)C(=O)c1c([O-])cc(C)cc1C2=O	ZINC000085531519	291426529	/nfs/dbraw/zinc/42/65/29/291426529.db2.gz	KCJGNBDCQUALGX-AHTIUOERSA-N	-1	3	460.435	-0.028	1	10	biogenic,in-vitro	JBCFHM
Cc1cc([O-])c2c(c1)C(=O)c1c3cc[nH]c(=O)c3cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O	ZINC000085568759	291429076	/nfs/dbraw/zinc/42/90/76/291429076.db2.gz	GRHGODBOWAHBAB-CEIMSQRVSA-N	-1	3	483.429	-0.504	1	10	biogenic,in-vitro	JBCFHM
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)C(O)(O)[C@H]3O)c(C)c([O-])c1C2=O	ZINC000085593497	291421009	/nfs/dbraw/zinc/42/10/09/291421009.db2.gz	YFTAZIAOVVVILK-YLZBPFJKSA-N	-1	3	474.418	-0.072	1	10	biogenic,in-vitro	JBCFHM
COC(=O)[C@H]1O[C@H](Oc2cc([O-])c3c(c2)O[C@@H](c2ccc(O)c(O)c2)CC3=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000095911381	565179315	/nfs/dbraw/zinc/17/93/15/565179315.db2.gz	OIGNHVRXJGPBJV-BZGKKXHOSA-N	-1	3	478.406	-0.131	1	10	biogenic,in-vitro	JBCFHM