[
  {
    "molid": "mol7506",
    "smiles": "Cc1nccc(Oc2ccccc2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nccc(Oc2ccccc2)n1",
        "std_free_energy": -7.06860876083374,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc(Oc2ccccc2)cc[nH+]1",
        "std_free_energy": 0.075401671230793,
        "relative_population": 0.5524014873546189
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nccc(Oc2ccccc2)[nH+]1",
        "std_free_energy": 0.285780131816864,
        "relative_population": 0.4475985126453811
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.17000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]