[
  {
    "molid": "mol11443",
    "smiles": "O=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=Nc1c(O)ccc2cc(S(=O)(=O)[O-])ccc12",
        "std_free_energy": -7.967757701873779,
        "relative_population": 0.9808750598177037
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=Nc1c([O-])ccc2cc(S(=O)(=O)[O-])ccc12",
        "std_free_energy": -5.599387168884277,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]