Mass Spectrometry, Tutorial, Python, Data Analysis, Research.
(0.55896333, 7), (0.52331993, 9)] And, probably more interesting, the corresponding smiles: [x[0].get("smiles") for x in best_matches] Out[]: ['CC(C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N2CCC(CC2)C(=O)N[C@@H](CC(=O)O)C(=O)O', 'CCCCCC(NC(=O)C1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)C(=O)O',