[
  {
    "molid": "mol24974",
    "smiles": "Cc1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(/[NH+]=[NH+]/c2cc(S(=O)(=O)[O-])c3ccccc3c2O)cc1",
        "std_free_energy": 13.580290794372559,
        "relative_population": 0.5148805467964027
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(/N=[NH+]/c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1",
        "std_free_energy": 14.64229965209961,
        "relative_population": 0.17802536997127302
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1ccc(/[NH+]=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1",
        "std_free_energy": 14.138999938964844,
        "relative_population": 0.29448432656976764
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1ccc(/[NH+]=[NH+]/c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1",
        "std_free_energy": 16.750823974609375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.7,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]