[
  {
    "molid": "mol32785",
    "smiles": "O=C1CCC2N1CCC1c3ccccc3CCN12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC[C@H]2N1CC[C@H]1c3ccccc3CCN12",
        "std_free_energy": -6.776815414428711,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[OH+]=C1CC[C@H]2N1CC[C@H]1c3ccccc3CCN12",
        "std_free_energy": -0.4887849688529968,
        "relative_population": 0.062163804249353
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C1CC[C@H]2N1CC[C@H]1c3ccccc3CC[NH+]12",
        "std_free_energy": -3.202587366104126,
        "relative_population": 0.937836195750647
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8899999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]