SAFR: Structurally Augmented Fragment Repository SAFR_v1.0, is a public dataset of high confidence protein-fragment with predicted 3D structures coming from known active compounds for each protein targe. SAFR contains 231,901 unique pairs and a total of 818,385 3D structures, curated from the ChEMBL and BindingDB databases and placed on their binding site via template docking. The Repository has the following structure: SAFR_v1.0/│├── A0A1L8F5J9/ 5]: pActivity of the ligand from which the fragment comes against that particular protein target. ligand_inchikey: InChIKey code of the ligand each fragment comes from. pdb: PDB code of the protein that acts as spatial frame of reference (Matches the name of the .sdf file). uniprot: Uniprot Accession number for the protein target. BindingDB_Compound_id: Ligand ID on the BindingDB if available. CHEMBL_Compound_id: Ligand ID on ChEMBL if available.