[
  {
    "molid": "mol7914",
    "smiles": "CC(C)c1ncc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)c1ncc2ccccc2n1",
        "std_free_energy": -7.091927528381348,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)c1nc2ccccc2c[nH+]1",
        "std_free_energy": 0.18756568431854248,
        "relative_population": 0.3155174740654106
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)c1ncc2ccccc2[nH+]1",
        "std_free_energy": -0.5868833661079407,
        "relative_population": 0.6844825259345894
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.26999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]