[
  {
    "molid": "mol10302",
    "smiles": "O=Nc1cc(S(=O)(=O)O)c2cn[nH]c2c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=Nc1cc(S(=O)(=O)[O-])c2cn[nH]c2c1O",
        "std_free_energy": -4.887235164642334,
        "relative_population": 0.31602984402004747
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=Nc1cc(S(=O)(=O)O)c2cn[nH]c2c1[O-]",
        "std_free_energy": -5.565240859985352,
        "relative_population": 0.6225614557559338
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=Nc1cc(S(=O)(=O)O)c2cn[n-]c2c1O",
        "std_free_energy": -3.248922348022461,
        "relative_population": 0.06140700002698716
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=Nc1cc(S(=O)(=O)[O-])c2cn[nH]c2c1[O-]",
        "std_free_energy": -7.512539863586426,
        "relative_population": 0.9658751916123396
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.35,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]