smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C(=O)[N-]C1=S ZINC000096477267 643090130 /nfs/dbraw/zinc/09/01/30/643090130.db2.gz PQHUFNCZURVCSI-YWEYNIOJSA-N -2 1 399.222 2.009 10 10 GECEML COc1c([O-])c2c([O-])c(OC)c(-c3ccc(O)c(O)c3)oc-2c(OC)c1=O ZINC000005998590 212147634 /nfs/dbraw/zinc/14/76/34/212147634.db2.gz AOOSHVWNBJZOEH-UHFFFAOYSA-N -2 1 376.317 2.308 10 10 GECEML