[
  {
    "molid": "mol35473",
    "smiles": "Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)ccc1O",
        "std_free_energy": -4.713192939758301,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)ccc1[O-]",
        "std_free_energy": -2.598034381866455,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.53000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]