[
  {
    "molid": "mol15998",
    "smiles": "CC(=NO)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=NO)C(=O)[O-]",
        "std_free_energy": -10.65898323059082,
        "relative_population": 0.9999019077509766
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=N[O-])C(=O)[O-]",
        "std_free_energy": 1.0726656913757324,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.43,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]