[
  {
    "molid": "mol32591",
    "smiles": "OCC1CCCN2CCCCC12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@H]1CCCN2CCCC[C@@H]12",
        "std_free_energy": -0.8846115469932556,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OC[C@H]1CCC[NH+]2CCCC[C@@H]12",
        "std_free_energy": -9.457925796508789,
        "relative_population": 0.9987360175565992
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]