| Mime Type | File Format Name | File Extensions |
| chemical/x-c3xml | Chem3D XML | .C3XML |
| chemical/x-chem3d | Chem3D 8.0 | .C3D; .C3T |
| chemical/chem3d | Chem3D 8.0 | .C3D; .C3T |
| chemical/x-chem3d | Chem3D 3.2 | .C3D |
| chemical/chem3d | Chem3D 3.2 | .C3D |
| chemical/x-alchemy | Alchemy | .ALC; .MOL |
| chemical/x-cart1 | Cart Coords 1 | .CC1 |
| chemical/x-cart2 | Cart Coords 2 | .CC2 |
| chemical/x-ccdb | CCDB | .CCD; .DAT |
| chemical/x-chemdraw | ChemDraw | .CDX; .CHM |
| chemical/x-cdx | ChemDraw | .CDX; .CHM |
| chemical/cdx | ChemDraw | .CDX; .CHM |
| text/xml | ChemDraw XML | .CDXML |
| chemical/x-cml | Chemical Markup Language | .cml; .xml |
| chemical/cml | Chemical Markup Language | .cml; .xml |
| chemical/x-ct | Conn Table | .CT; .CON |
| chemical/ct | Conn Table | .CT; .CON |
| chemical/x-gamess-input | Gamess Input | .INP |
| chemical/x-gaussian-input | Gaussian Input | .GJC; .GJF |
| chemical/x-gaussian-checkpoint | Gaussian Checkpoint | .FCHK; .FCH |
| chemical/x-gaussian-cube | Gaussian Cube | .CUB |
| chemical/x-internal | Int Coords | .INT |
| chemical/x-mdl-isis | ISIS Sketch | .SKC |
| chemical/mdl-isis | ISIS Sketch | .SKC |
| chemical/x-mdl-tgf | ISIS Transportable Graphics | .TGF |
| chemical/mdl-tgf | ISIS Transportable Graphics | .TGF |
| chemical/x-macromodel-input | MacroModel | .MCM; .DAT; .OUT |
| chemical/x-mdl-molfile | MDL MolFile | .MOL |
| chemical/mdl-molfile | MDL MolFile | .MOL |
| chemical/x-mmcif | mmCIF | .CIF |
| chemical/x-msi-molfile | MSI ChemNote | .MSM |
| chemical/msi-molfile | MSI ChemNote | .MSM |
| chemical/x-mopac-input | MOPAC Input | .MOP; .DAT; .MPC; .ZMT |
| chemical/x-mopac-graph | MOPAC Graph | .GPT |
| chemical/x-pdb | Protein Data Bank | .PDB; .ENT |
| chemical/pdb | Protein Data Bank | .PDB; .ENT |
| chemical/x-mdl-sdfile | SDFile | .SDF |
| chemical/mdl-sdfile | SDFile | .SDF |
| chemical/x-smd | SMDFile | .SMD |
| chemical/smd | SMDFile | .SMD |
| chemical/x-sybylmol | SYBYL | .SML |
| chemical/x-sybylmol2 | SYBYL2 | .MOL2; .SM2; .ML2 |
| chemical/x-daylight-smiles | SMILES | .SMI |
| chemical/daylight-smiles | SMILES | .SMI |
| chemical/x-smiles | SMILES | .SMI |
| chemical/smiles | SMILES | .SMI |
| image/bmp | Bitmap | .BMP |
| image/jpeg | JPEG Compressed Picture | .JPG |