smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1O[C@@H](c2ccc3c(c2[O-])C(=O)c2cc([O-])c4c(c2C3=O)C(=O)C[C@](C)(O)C4)C[C@@H](O)[C@@H]1O	ZINC000004654734	560199108	/nfs/dbraw/zinc/19/91/08/560199108.db2.gz	WOFFYFKONQZKOV-MMELWNKQSA-N	-2	1	468.458	1.325	10	10	in-vitro	JDCEML
C[C@H]1O[C@@H](c2ccc3c(c2[O-])C(=O)c2c([O-])cc4c(c2C3=O)C(=O)C[C@](C)(O)C4)C[C@@H](O)[C@@H]1O	ZINC000004654731	560199128	/nfs/dbraw/zinc/19/91/28/560199128.db2.gz	RPINDSDUVXDEGE-WUZSHGJPSA-N	-2	1	468.458	1.325	10	10	in-vitro	JDCEML
N=Nc1cc(S(=O)(=O)[O-])ccc1-c1c(C(=O)[O-])[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O	ZINC000096347177	130074340	/nfs/dbraw/zinc/07/43/40/130074340.db2.gz	QIGXVASTXNHRHP-ZDUSSCGKSA-N	-3	1	468.425	1.413	10	10		JDCEML