[
  {
    "molid": "mol18426",
    "smiles": "C[C@@H]1CN(O)C(=O)[C@@H]1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1CN(O)C(=O)[C@@H]1N",
        "std_free_energy": -5.355749607086182,
        "relative_population": 0.8509745927970276
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H]1CN([O-])C(=O)[C@@H]1[NH3+]",
        "std_free_energy": -3.6134841442108154,
        "relative_population": 0.14902540720297233
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1CN(O)C(=O)[C@@H]1[NH3+]",
        "std_free_energy": -5.4652180671691895,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]