smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC[N+](C)(C)[NH3+] ZINC000059314574 717131428 /nfs/dbraw/zinc/13/14/28/717131428.db2.gz KAZJKHQHJDSDRQ-UHFFFAOYSA-N 2 0 285.540 5.418 10 30 CKEERP