[
  {
    "molid": "mol22310",
    "smiles": "O=C(O)C/C(=N\\O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C/C(=N\\O)C(=O)O",
        "std_free_energy": -0.511612057685852,
        "relative_population": 0.9963491767632546
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C/C(=N\\O)C(=O)[O-]",
        "std_free_energy": -8.804448127746582,
        "relative_population": 0.41904792199123464
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])C/C(=N\\O)C(=O)O",
        "std_free_energy": -9.119742393493652,
        "relative_population": 0.5743733103712216
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]