[
  {
    "molid": "mol11756",
    "smiles": "O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1",
        "std_free_energy": -4.60683536529541,
        "relative_population": 0.9861649910045583
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C1C=CC(=[NH+]c2cc(Cl)c(O)c(Cl)c2)C=C1",
        "std_free_energy": 4.6824541091918945,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]