[
  {
    "molid": "mol34845",
    "smiles": "COc1cccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cccc(N=Nc2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)c1",
        "std_free_energy": -7.520420074462891,
        "relative_population": 0.9937379981344653
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cccc(N=Nc2c([O-])ccc3cc(S(=O)(=O)[O-])ccc23)c1",
        "std_free_energy": -3.2268662452697754,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3900003433228,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]