[
  {
    "molid": "mol8899",
    "smiles": "C/C(=N\\NC(N)=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C/C(=N\\NC(N)=O)C(=O)O",
        "std_free_energy": -3.249840259552002,
        "relative_population": 0.9927871890273996
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/C(=[NH+]\\NC(N)=O)C(=O)O",
        "std_free_energy": 8.347261428833008,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.59,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]