[
  {
    "molid": "mol9703",
    "smiles": "Cn1c(=O)cc(C(=O)O)[nH]c1=O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1c(=O)cc(C(=O)[O-])[nH]c1=O",
        "std_free_energy": -11.783430099487305,
        "relative_population": 0.998315817622865
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cn1c(=O)cc(C(=O)[O-])[n-]c1=O",
        "std_free_energy": -5.173547744750977,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.52,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]