The daylight fingerprint features were obtained utilizing the RDKit library to extract them from SMILES-encoded molecular structures. This involved converting the SMILES strings into molecular structures and generating fingerprints to capture key chemical substructures. These fingerprints were then converted into a binary format for efficient analysis. This approach enabled us to extract essential structural information from the molecular data, facilitating further analyses and modeling. Subset-IGD_FP denotes a dataset with 2,606 molecules with 1024 features of the Daylight fingerprint features.