smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(Sc2ccc(C(C)C)cc2[O-])c([O-])c1 ZINC000001671482 563290639 /nfs/dbraw/zinc/29/06/39/563290639.db2.gz KHNRJDYYTUPJHR-UHFFFAOYSA-N -2 3 302.439 5.496 40 0 DKABHL