[
  {
    "molid": "mol11920",
    "smiles": "Cc1ccc(N=Nc2cc(S(=O)(=O)O)ccc2O)cc1",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "Cc1ccc(N=Nc2cc(S(=O)(=O)[O-])ccc2O)cc1",
        "std_free_energy": -7.180767059326172,
        "relative_population": 0.9879346953697172
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc(N=Nc2cc(S(=O)(=O)[O-])ccc2[O-])cc1",
        "std_free_energy": -4.90137243270874,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.72,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]