[
  {
    "molid": "mol38312",
    "smiles": "N[C@@H]1CCNC[C@@H]1C(=O)O",
    "microspecies": [
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "[NH3+][C@@H]1CC[NH2+]C[C@@H]1C(=O)[O-]",
        "std_free_energy": -12.689118385314941,
        "relative_population": 0.9996904680350704
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+][C@@H]1CC[NH2+]C[C@@H]1C(=O)O",
        "std_free_energy": -2.3108537197113037,
        "relative_population": 0.9999619989913527
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.89999997615814,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]