[
  {
    "molid": "mol37439",
    "smiles": "COc1ccc(C[C@H](NC(=O)CN)C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc(C[C@H](NC(=O)C[NH3+])C(=O)[O-])cc1",
        "std_free_energy": -11.275858879089355,
        "relative_population": 0.9999320782569932
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(C[C@H](NC(=O)CN)C(=O)[O-])cc1",
        "std_free_energy": -7.8265838623046875,
        "relative_population": 0.9999795083166603
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.14999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]