[
  {
    "molid": "mol10303",
    "smiles": "O=Nc1c(S(=O)(=O)O)cc(O)c2[nH]ncc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Nc1c(S(=O)(=O)[O-])cc(O)c2[nH]ncc12",
        "std_free_energy": -6.788036823272705,
        "relative_population": 0.9354244167593736
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=Nc1c(S(=O)(=O)O)cc([O-])c2[nH]ncc12",
        "std_free_energy": -3.8940179347991943,
        "relative_population": 0.05177883419513801
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=Nc1c(S(=O)(=O)[O-])cc([O-])c2[nH]ncc12",
        "std_free_energy": -5.233241081237793,
        "relative_population": 0.8733289992032992
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=Nc1c(S(=O)(=O)[O-])cc(O)c2[n-]ncc12",
        "std_free_energy": -3.301706075668335,
        "relative_population": 0.12656769960566047
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]