format:automatic mrv - ChemAxon Marvin Documents / MRVcxsmiles - ChemAxon Extended SMILES / cxsmilescxsmarts - ChemAxon Extended SMARTS / cxsmartsabbrevgroup - ChemAxon SMILES Abbreviated Groupscsrdf - ChemAxon Compressed RDfilemol - MDL Molfilerxn - MDL Rxnfilesdf - MDL SDfilerdf - MDL RDfileskc - SKC File Formatcdx - CDX File Formatcml - Chemical Markup Language / CMLsmiles - SMILESsmarts - SMARTSinchi - InChIname - Namemol2 - Tripos Mol2sybyl - Tripos SYBYL molfilepdb - Protein Data Bank / PDBxyz - XYZcube - Gaussian Cube