Dataset for "Prebiotic Chemistry Insights for Dragonfly: Thermodynamics of amino acid synthesis in Selk crater on Titan"

*IMPORTANT PLEASE READ VERSION CHANGES!*

*UPDATED v4 change: June 8, 2026.

We identified that the Leucine Gibbs free energies in the Gibbs_Energies_All.csv was identical to Glycine. In digging further, I found that it was a manual error during data processing in google sheets (I referenced a wrong cell). I re-ran Cantera simulations with the updated energies along with some sensitivity testing and found that the change in energies here does not alter the numerical yields reported in Madan and Pearce 2025; hence, does not affect the interpretation or conclusions reported in our study!

I have uploaded the corrected energies csv with this v4. If you're conducting any analysis, please use the updated file!

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*Updated v3 change: Acrylonitrile energies are updated!

*Updated v2 changes: Acrylonitrile is included in the data.

This archive contains the data, code, and workflow materials supporting the manuscript “Prebiotic Chemistry Insights for Dragonfly: Thermodynamics of amino acid synthesis in Selk crater on Titan” (Madan and Pearce, 2025).

Contents include Jupyter notebooks for Gibbs free energy estimation, polynomial fitting, and Cantera equilibrium modeling; YAML input templates and examples; Gibbs energy datasets; and a step-by-step workflow PDF. These resources are intended to ensure transparency, reproducibility, and accessibility for reviewers, students, and researchers interested in prebiotic chemistry and Titan’s astrobiological potential.