[
  {
    "molid": "mol33279",
    "smiles": "O=C(O)C1CCCC2CCCNC21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@H]1CCC[C@@H]2CCC[NH2+][C@@H]21",
        "std_free_energy": -12.129413604736328,
        "relative_population": 0.9999947788936117
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(O)[C@H]1CCC[C@@H]2CCC[NH2+][C@@H]21",
        "std_free_energy": -5.360089302062988,
        "relative_population": 0.9988212530181539
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.82,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]