All folders in this dataset contain the data for the respective compound; their numbers match to the ones in the thesis. Some of the folders contain own metadata files further giving details about the measurements. The folder 'CHN' contains all elemental analysis done for the respective compounds. The folder 'CV' contains the data obtained by cyclic voltammetry. The folder 'DSC' contains the data obtained by the differential scanning calorimetry measurements. They contain on heat cycle, one cooling cycle, and a second heating cycle. The relevant data is the second heating cycle. The folder 'NMR' contains the NMR spectra, usually, one for the 1H, and another one for the 13C NMR spectra. The folder 'OPV' contains the solar cell data, in contains the 'dark' curve (without light illumination), and two measurements with light illumination. The folder 'UV' contains the absorption spectra. In the folder 'UV blend films', there is three spectra for which compound 31 was mixed with the stated acceptors, and spin-coated on quartz wafers.