[
  {
    "molid": "mol37568",
    "smiles": "O=S(=O)(O)c1cccc2c(/N=N/c3ccc(O)cc3)cccc12",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cccc2c(/N=N/c3ccc(O)cc3)cccc12",
        "std_free_energy": -8.836950302124023,
        "relative_population": 0.999760735110849
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cccc2c(/N=N/c3ccc([O-])cc3)cccc12",
        "std_free_energy": -2.575835704803467,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8600001335144,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]