smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH2+]CCCNCc1ccc2ccccc2c1 ZINC000103290085 219284354 /nfs/dbraw/zinc/28/43/54/219284354.db2.gz CPPLWBWYVTXXNV-UHFFFAOYSA-N 2 3 342.531 2.628 1 0 EFAFHP