smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[N+](C)(C)C 1641030 717088571 /nfs/dbraw/zinc/08/85/71/717088571.db2.gz IUFAEQDMEMKFCW-UHFFFAOYSA-O 1 0 117.172 -0.256 40 50 ABGBRO