smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH+](CCCC)C(CC)[NH+](CCCC)CCCC ZINC000019326005 567877378 /nfs/dbraw/zinc/87/73/78/567877378.db2.gz VBEGCYLJMFWVGA-UHFFFAOYSA-N 2 2 298.559 5.527 40 0 CKABLP