smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN=C=NCCC[N+](C)(C)C 16911670 717112377 /nfs/dbraw/zinc/11/23/77/717112377.db2.gz GJVMKDSOFLFULJ-UHFFFAOYSA-N 1 0 198.334 2.057 40 70 AEIBRO