[
  {
    "molid": "mol22309",
    "smiles": "O=C(O)C/C(=N/O)C(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)C/C(=N/O)C(=O)O",
        "std_free_energy": -0.2654092013835907,
        "relative_population": 0.9945666981842832
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C/C(=N/O)C(=O)O",
        "std_free_energy": -9.05665111541748,
        "relative_population": 0.5475213662245061
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(O)C/C(=N/O)C(=O)[O-]",
        "std_free_energy": -8.857120513916016,
        "relative_population": 0.44848304836428077
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.96,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]