| Type | Filename-extension | Description | Source of Possible Program or Plug-in |
| chemical/x-cdx | cdx | ChemDraw eXchange file | http://www.camsoft.com/plugins/(a) |
| chemical/x-cif | cif | Crystallographic Interchange Format | http://www.crystalmaker.co.uk/ |
| chemical/x-chem3d | cdx | Chem3D file | http://www.camsoft.com/download_conet.html#3d |
| chemical/x-cmdf | cmdf | CrystalMaker Data format | http://www.crystalmaker.co.uk/ |
| chemical/x-cml | cml | Chemical Markup Language | http://www.venus.co.uk/omf/cml/ |
| chemical/x-daylight-smiles | smi | Daylight SMILES | http://www.daylight.com/ http://www.synopsys.co.uk/ |
| chemical/x-csml | csml, csm | Chemical Style Markup Language | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-galactic-spc | spc | SPC format for spectral and chromatographic data. | http://www.galactic.com/galactic/ Data/spcvue.htm |
| chemical/x-gaussian-input | gau | Gaussian Input format | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-gaussian-cube | cub | Gaussian Cube (Wavefunction) format | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-isostar | istr, ist | IsoStar Library of intermolecular interactions | http://www.ccdc.cam.ac.uk/ |
| chemical/x-jcamp-dx | jdx, dx | JCAMP Spectroscopic Data Exchange Format | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-kinemage | kin | Kinetic (Protein Structure) Images | http://www.faseb.org/protein/kinemages/ MageSoftware.html |
| chemical/x-mdl-molfile | mol | MDL Molfile | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-mdl-rxnfile | rxn | MDL Reaction format | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-mdl-tgf | tgf | MDL Transportable Graphics Format | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-macmolecule | mcm | MacMolecule File Format | http://www.molvent.com/ |
| chemical/x-macromodel-input | mmd, mmod | MacroModel Molecular Mechanics | http://www.columbia.edu/cu/chemistry/ mmod/mmod.html(a) |
| chemical/x-mopac-input | mop | MOPAC Input format | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-pdb | pdb | Protein DataBank | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-xyz | xyz | Co-ordinate Animation format | http://www.mdli.com/chemscape/chime/(a) |
| chemical/x-vmd | vmd | Visual Molecular Dynamics | http://www.ks.uiuc.edu/Research/vmd/ |