smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC[PH+](C1CCCCC1)C1CCCCC1 ZINC000002548242 567848156 /nfs/dbraw/zinc/84/81/56/567848156.db2.gz OUXBXXSPQMGLJG-UHFFFAOYSA-N 2 0 284.448 4.840 50 5 CJBARP