smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCCC[N+](C)(C)CC[NH+](C)C ZINC000103233691 717146226 /nfs/dbraw/zinc/14/62/26/717146226.db2.gz PUVHAFLEXISITQ-UHFFFAOYSA-N 2 2 369.702 6.886 1 30 FKEFLP