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)(C)[PH+](CC[NH3+])C(C)(C)C 43199407 166374821 /nfs/dbraw/zinc/37/48/21/166374821.db2.gz DZDGRVHIUYIMDS-UHFFFAOYSA-N 2 0 189.283 3.024 50 0 AGAARP