smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CNC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000070665253	553596024	/nfs/dbraw/zinc/59/60/24/553596024.db2.gz	MVWBYZZUZQBMFZ-IJELJUKBSA-N	-1	1	531.470	-0.263	40	10		KBCBMM
CCOC(=O)CNC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000070665253	553596022	/nfs/dbraw/zinc/59/60/22/553596022.db2.gz	MVWBYZZUZQBMFZ-IJELJUKBSA-N	-1	1	531.470	-0.263	40	10		KBCBMM
CCOC(=O)CNC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000070665259	553596064	/nfs/dbraw/zinc/59/60/64/553596064.db2.gz	MVWBYZZUZQBMFZ-UJZPCYGSSA-N	-1	1	531.470	-0.263	40	10		KBCBMM
CCOC(=O)CNC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000070665259	553596062	/nfs/dbraw/zinc/59/60/62/553596062.db2.gz	MVWBYZZUZQBMFZ-UJZPCYGSSA-N	-1	1	531.470	-0.263	40	10		KBCBMM
CCOC(=O)CNC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000217361501	571600881	/nfs/dbraw/zinc/60/08/81/571600881.db2.gz	MVWBYZZUZQBMFZ-LYVDORBWSA-N	-1	1	531.470	-0.263	40	10		KBCBMM
CCOC(=O)CNC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000217361501	571600878	/nfs/dbraw/zinc/60/08/78/571600878.db2.gz	MVWBYZZUZQBMFZ-LYVDORBWSA-N	-1	1	531.470	-0.263	40	10		KBCBMM