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)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000096328215 167569660 /nfs/dbraw/zinc/56/96/60/167569660.db2.gz PCEGJZYQXAYULP-UHFFFAOYSA-N 0 2 248.410 5.111 10 0 BKAELN