smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[NH+](CCCCCCCC)CCNCC[NH3+] ZINC000111851641 220208012 /nfs/dbraw/zinc/20/80/12/220208012.db2.gz ZTVRNIVECNHKTG-UHFFFAOYSA-N 2 0 327.601 4.558 10 30 EJEERP