smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(-c2cc3ccc([O-])cc3oc2=O)cc2c3ccc([O-])cc3oc(=O)c12 ZINC000002478323 209366716 /nfs/dbraw/zinc/36/67/16/209366716.db2.gz LCRDDANZDVOYHG-UHFFFAOYSA-N -2 3 387.347 3.834 10 5 GHBEHL