colname_old colname_new description cid Compound_CID PubChem Compound Identifier cmpdname Name Compound Name cmpdsynonym Synonyms Compound Synonyms (pipe-separated) mw Molecular_Weight Molecular Weight mf Molecular_Formula Molecular Formula polararea Polar_Area Polar Area complexity Complexity Complexity xlogp XLogP XlogP - predicted octanol water partitioning coefficient heavycnt Heavy_Atom_Count Heavy Atom Count hbonddonor H-Bond_Donor_Count Hydrogen Bond Donor Count hbondacc H-Bond_Acceptor_Count Hydrogen Bond Acceptor Count rotbonds Rotatable_Bond_Count Rotatable Bond Count inchi InChI InChI - International Chemical Identifier smiles SMILES SMILES - Simplified Molecular Input Line Entry System inchikey InChIKey InChIKey - hash of the InChI iupacname IUPAC_Name IUPAC Name exactmass Exact_Mass Exact Mass monoisotopicmass Monoisotopic_Mass Monoisotopic Mass charge Charge Formal Charge covalentunitcnt Covalent_Unit_Count Covalently-Bonded Unit Count isotopeatomcnt Isotopic_Atom_Count Isotope Atom Count totalatomstereocnt Total_Atom_Stereo_Count Total Atoms Stereocenter Count definedatomstereocnt Defined_Atom_Stereo_Count Defined Atom Stereocenter Count undefinedatomstereocnt Undefined_Atom_Stereo_Count Undefined Atom Stereocenter Count totalbondstereocnt Total_Bond_Stereo_Count Total Bond Stereocenter Count definedbondstereocnt Defined_Bond_Stereo_Count Defined Bond Stereocenter Count undefinedbondstereocnt Undefined_Bond_Stereo_Count Undefined Bond Stereocenter Count pclidcnt Linked_PubChem_Literature_Count PubChem Consolidated Literature ID Count gpidcnt Linked_PubChem_Patent_Count Google Patent ID Count gpfamilycnt Linked_PubChem_Patent_Family_Count Google Patent ID Family Count meshheadings MeSH_Headings MeSH Headings annothits Annotation_Content Annotation Hits annothitcnt Annotation_Type_Count Annotation Hit Count aids Linked_BioAssays Assay Identifiers (AIDs) cidcdate Create_Date CID Create Date - date the compound entry was created sidsrcname Data_Source Substance Identifier (SID) Source Name - which sources provided the related substance records depcatg Data_Source_Category Deposition Categories annotation Tagged_by_PubChem Extra Annotation tags