[
  {
    "molid": "mol33592",
    "smiles": "CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1",
        "std_free_energy": -5.349098205566406,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1",
        "std_free_energy": -8.254260063171387,
        "relative_population": 0.7802534906644416
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1",
        "std_free_energy": -6.987115859985352,
        "relative_population": 0.21974650933555828
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.22999954223633,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]