Compound ID
Molecular weight
Polar surface area
Molecular complexity
LogP value (octanol-water partition coefficient)
Number of heavy atoms
Number of hydrogen bond donors
Number of hydrogen bond acceptors
Number of rotatable bonds
Annotation hit count
Molecular charge
Number of covalent units
Number of isotope atoms
Total atom stereocenter count
Defined atom stereocenter count
Undefined atom stereocenter count
Total bond stereocenter count
Defined bond stereocenter count
Undefined bond stereocenter count
PCL ID count
GP ID count
GP family count
AID (Assay ID) information
Compound name
Compound synonyms
InChI (International Chemical Identifier)
InChI Key
SMILES (Simplified Molecular Input Line Entry System) notation
IUPAC name
Molecular formula
Source name for SID
Annotation information
Compound creation date
Deposition category
MeSH headings
Annotation hits
Exact mass
Monoisotopic mass
Individual compound data row from SDQ query results