smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCC[NH2+]CCCC[NH2+]CCCN(C)C ZINC000005103507 289117392 /nfs/dbraw/zinc/11/73/92/289117392.db2.gz LKZCIFCSNWLWMY-UHFFFAOYSA-N 2 3 258.454 0.849 40 0 CCABHP