[
  {
    "molid": "mol12167",
    "smiles": "O=C(O)c1cc(N=Nc2ccccc2)c2ccccc2c1O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(N=Nc2ccccc2)c2ccccc2c1O",
        "std_free_energy": -11.487369537353516,
        "relative_population": 0.9982339113303089
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(N=Nc2ccccc2)c2ccccc2c1[O-]",
        "std_free_energy": -2.4571704864501953,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]