[
  {
    "molid": "mol38313",
    "smiles": "N[C@@H]1CNCC[C@@H]1C(=O)O",
    "microspecies": [
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "[NH3+][C@@H]1C[NH2+]CC[C@@H]1C(=O)[O-]",
        "std_free_energy": -11.596259117126465,
        "relative_population": 0.9983855330887802
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "[NH3+][C@@H]1C[NH2+]CC[C@@H]1C(=O)O",
        "std_free_energy": -3.014479637145996,
        "relative_population": 0.9999999984561186
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.53999996185303,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]