smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[NH+](CCCCC)CC[NH+](CCCCC)CCCCC ZINC000022859102 202094020 /nfs/dbraw/zinc/09/40/20/202094020.db2.gz MPAOWNJUCRLLEQ-UHFFFAOYSA-N 2 2 340.640 6.351 40 0 EKABLP