[
  {
    "molid": "mol35325",
    "smiles": "CC1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)O)c1cc(Br)c(O)c(Br)c1C",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)[O-])c1cc(Br)c(O)c(Br)c1C",
        "std_free_energy": -6.329118728637695,
        "relative_population": 0.9563060838797125
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)[O-])c1cc(Br)c([O-])c(Br)c1C",
        "std_free_energy": -5.672597408294678,
        "relative_population": 0.9221623619859001
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[CH2-]C1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)[O-])c1cc(Br)c(O)c(Br)c1C",
        "std_free_energy": -3.1955111026763916,
        "relative_population": 0.07745018844929673
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.67000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]