smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[N+](C)(C)CC[NH+](C)C ZINC000103233694 717146060 /nfs/dbraw/zinc/14/60/60/717146060.db2.gz VFLZVWQRHVVWPF-UHFFFAOYSA-N 2 2 313.594 5.326 1 30 DKEFLP