[
  {
    "molid": "mol22389",
    "smiles": "O=C(O)C(=N\\O)/C(=N/O)C(=O)O",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C([O-])C(=N\\O)/C(=N/O)C(=O)O",
        "std_free_energy": -8.244714736938477,
        "relative_population": 0.9966370393590154
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=C([O-])C(=N\\O)/C(=N/O)C(=O)[O-]",
        "std_free_energy": -14.268929481506348,
        "relative_population": 0.9991629593315323
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.98,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]