compound_id,input_smiles,source_file,canonical_smiles_rdkit,MW,logP,TPSA,HBD,HBA,rotatable_bonds,heavy_atom_count,d_MW,d_logP,d_TPSA,d_rotB,d_HBD,d_HBA,Global_NP_ADME_desirability,global_rank,percentile,total_scored_compounds,reported_property_desirability,reported_percentile
Muricatacin_reference_matched_in_COCONUT,CCCCCCCCCCCC[C@@H](O)[C@H]1CCC(=O)O1,coconut_csv_lite-05-2026.csv; manual_muricatacin_reference_matched,CCCCCCCCCCCC[C@@H](O)[C@H]1CCC(=O)O1,284.44,4.363900000000004,46.53,1,3,12,20,1.0,1.0,1.0,0.802,1.0,1.0,0.9638935216559212,404582,45.23808879263671,738801,0.964,45.24
