[
  {
    "molid": "mol16563",
    "smiles": "OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1",
        "std_free_energy": -3.324899196624756,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O[C@](CC[NH+]1CCCCC1)(c1ccccc1)C1CCCCC1",
        "std_free_energy": -8.601921081542969,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]