This entry contains multiple files, as the complete dataset is >50 GB in size. Single-molecule conductance raw data is in ASCII format, readable with many commercial and free-to-use software. It is organised in tab-separated columns, and the column are SAMPLE# - PIEZO POSITION - BIAS VOLTAGE - AMPLIFIER OUTPUT The amplifier output is in Volts, and can be converted to current (amperes) using the correct amplification (V/A). This collection is made of the following items: - structures.png Image of the chemical structure and naming of the compounds used in this study is provided. - DKDT_STMBJ0.2V Combined 7678 Scans.zip Single-Molecule Break-Junction data for DKDT. Data collected with a custom 4-channel preamplifier. Use the included python script to process data. - DKDT_PM-0.2V-MODS1.3x0.4-1E6TIA.zip Data obtaned under piezo modulation for DKDT. A first stretch by 1.3 nm is followed by 4 modulations with an amplitude of 0.4 nm. Data collected with 1E6 V/A amplification. - DKDT_NOISE-0.2-1E6-pm1.25+1x0.4.zip Data obtained for the noise analysis of DKDT. High-speed, 100 kHz acquisition rate, a single compression cycle. Data collected with 1E6 V/A amplification. - TRANS-StilbeneSMe_STMBJ0.2V 5839 Scans.zip Single-Molecule Break-Junction data for TransStilbeneSMe. Data collected with a custom 4-channel preamplifier. Use the included python script to process data. - TRANS-StilbeneSMe_PiezoMod_1.25x0.4nm 0.2V 1E5 TIA.zip Data obtaned under piezo modulation for DKDT. A first stretch by 1.25 nm is followed by 4 modulations with an amplitude of 0.4 nm. Data collected with 1E5 V/A amplification. - TRANS-StilbeneSMe_Noise100kHz_1.25step_0.2V-1E5TIA.zip Data obtained for the noise analysis of TransStilbeneSMe. High-speed, 100 kHz acquisition rate, single compression cycle. Data collected with 1E5 V/A amplification. Data in binary format needs to be unpacked first, using the labview program included in labview.zip - LABVIEW.ZIP Labview VIs that have been used to process the data. - PROCESSEDDATA.ZIP Origin files with processed data and plots. Any query to andrea.vezzoli@liverpool.ac.uk