adduct_rules            Adduct rule table
adducts                 Adduct table
build.ANPDB             Build ANPDB
build.BLOODEXPOSOME     Build BLOOD EXPOSOME DB
build.BMDB              Build BMDB
build.CHEBI             Build CHEBI
build.DIMEDB            Build DIMEDB
build.DRUGBANK          Build DRUGBANK
build.ECMDB             Build ECMDB
build.EXPOSOMEEXPLORER
                        Build EXPOSOME EXPLORER
build.FOODB             Build FOODB
build.HMDB              Build HMDB
build.KEGG              Build KEGG
build.LIPIDMAPS         Build LIPID MAPS
build.LMDB              Build LMDB
build.MACONDA           Build MACONDA
build.MASSBANK          Build MASSBANK DB
build.MCDB              Build MCDB
build.METABOLIGHTS      Build METABOLIGHTS DB
build.METACYC           Build METACYC
build.PAMDB             Build PAMDB
build.PHARMGKB          Build PharmGKB
build.PHENOLEXPLORER    Build PHENOL EXPLORER DB
build.REACTOME          Build REACTOME db
build.RESPECT           Build RESPECT
build.RMDB              Build RMDB (deprecated)
build.SMPDB             Build SMPDB
build.STOFF             Build STOFF db
build.T3DB              Build T3DB
build.VMH               Build VMH
build.WIKIDATA          Build Wikidata
build.WIKIPATHWAYS      Build WikiPathways
build.YMDB              Build YMDB
build.mVOC              Build mVOC db
buildBaseDB             Build the base database
buildExtDB              Build external database using a given base
                        database
checkAdductRule         Check for combined adduct rules
chemspiderInfo          Find more info through ChemSpider.
cleanDB                 Uniformize database and remove invalid
                        formulas/SMILES
countAdductRuleMatches
                        Check which structures are OK according to
                        given adduct rules
doAdduct                Generate adduct for given structure
doBT                    Run Biotransformer on SMILES.
doIsotopes              Generate isotopes for given formula
downloadBT              Download biotransformer jar file.
filterFormula           Apply seven golden rules to a vector of
                        formulas
getFormula              Find possible formulas for a given m/z
getPredicted            Get predicted formulas and adducts from m/z
                        value
iatom.to.charge         Get formal charge from iatomcontainer
iatom.to.formula        Get molecular formula from iatomcontainer
iatom.to.smiles         Get SMILES from iatom container
is.empty                Is this item 'empty'?
isotopes                Weights of all isotopes of all elements used
lmdb                    LMDB
openBaseDB              Create/open and prepare SQLite database
pubChemInfo             Find additional info on a PubChem ID.
removeDB                Remove database
removeFailedStructures
                        Remove structures where isotope generation
                        failed.
revertAdduct            Break formula apart into adduct and main
                        formula
sdfStream.joanna        Adjusted sdfStream version for databases that
                        store their compounds in SDF format
searchCMMR              Search CMMR
searchFormula           Find matches based on molecular formula
searchFormulaWeb        Find web hits for a molecular formula
searchMZ                Find matches for m/z value in given database
searchMZonline          Find m/z matches with CMMR, ChemSpider or
                        PubChem
searchRev               Reverse searching
showAllBase             Show all compounds in base db
smiles.to.iatom         Get iatom containers from SMILES
writeDB                 Write table to SQLite database
