[
  {
    "molid": "mol12166",
    "smiles": "O=C(O)c1ccccc1N=Nc1c(O)ccc2ccccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1N=Nc1c(O)ccc2ccccc12",
        "std_free_energy": -9.284533500671387,
        "relative_population": 0.9974064564871119
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1ccccc1N=Nc1c([O-])ccc2ccccc12",
        "std_free_energy": -2.5367441177368164,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]