[
  {
    "molid": "mol33232",
    "smiles": "NC1NCCCC1C(=O)O",
    "microspecies": [
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+][C@H]1[NH2+]CCC[C@@H]1C(=O)[O-]",
        "std_free_energy": -12.140055656433105,
        "relative_population": 0.9991691773697436
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "[NH3+][C@H]1[NH2+]CCC[C@@H]1C(=O)O",
        "std_free_energy": -2.7024343013763428,
        "relative_population": 0.9999999998984372
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]