[
  {
    "molid": "mol26240",
    "smiles": "Cc1ncnc2c1N=C(O)C(O)N2",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ncnc2c1N=C(O)[C@@H](O)[N-]2",
        "std_free_energy": -0.4739863872528076,
        "relative_population": 0.14079335131742407
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1ncnc2c1N=C([O-])[C@@H](O)N2",
        "std_free_energy": -2.2339489459991455,
        "relative_population": 0.8183219005092139
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1ncnc2c1N=C([O-])[C-](O)N2",
        "std_free_energy": 8.991983413696289,
        "relative_population": 0.05608252849207134
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "Cc1ncnc2c1N=C(O)[C@@H]([O-])[N-]2",
        "std_free_energy": 8.3871488571167,
        "relative_population": 0.10268426433970032
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "Cc1ncnc2c1N=C(O)[C-](O)[N-]2",
        "std_free_energy": 6.627933502197266,
        "relative_population": 0.5963777293799384
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "Cc1ncnc2c1N=C(O)[C-]([O-])N2",
        "std_free_energy": 7.730523109436035,
        "relative_population": 0.19800348532754658
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]