We present an xyz2mol method for TMCs. Using only an xyz file and an overall charge we are able to obtain TMC SMILES that contain atomic charges and TM oxidation states. We use this method to provide two large datasets of TMC SMILES for TMCs found in the CSD. The first dataset consists of 3 different SMILES sets for complexes in tmQMg (a subset of mononuclear TMCs in the CSD with charge -1, 0 or 1 developed by Kneiding et al. ) obtained with 3 different methods where our Hückel approach was able to obtain SMILES for 59 878 of the complexes in the tmQMg. At least 38,442 of these SMILES are expected to be highly reliable and acurate as they are identical with those from the CSD after the fixing steps to make it sanitizable in RDKit. The matching percentage between xyz2mol SMILES based on Hückel calculations and CSD SMILES is 72%. For comparison, xyz2mol SMILES based on the high quality (and expensive) DFT-NBO data get a similar matching percentage of 76%. Note that this percentage is not including the ≈ 14k complexes where a SMILES could not be obtained for the DFT-NBO method.