[
  {
    "molid": "mol11445",
    "smiles": "O=Nc1ccc2ccc(S(=O)(=O)O)cc2c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1O",
        "std_free_energy": -7.480585098266602,
        "relative_population": 0.9628828866901048
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1[O-]",
        "std_free_energy": -5.256211280822754,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.22,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.97,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]