[
  {
    "molid": "mol34445",
    "smiles": "CN(C)c1ccc(C(O)C(Cl)(Cl)Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc([C@H](O)C(Cl)(Cl)Cl)cc1",
        "std_free_energy": -6.421215057373047,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc([C@H]([O-])C(Cl)(Cl)Cl)cc1",
        "std_free_energy": 8.151012420654297,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.4200000762939,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]