[
  {
    "molid": "mol9401",
    "smiles": "NC(=O)n1c(O)nc(O)c1CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)n1c(O)nc(O)c1CO",
        "std_free_energy": -6.240809917449951,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)n1c(O)nc([O-])c1CO",
        "std_free_energy": -4.623513221740723,
        "relative_population": 0.7693878785785266
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)n1c([O-])nc(O)c1CO",
        "std_free_energy": -3.4186551570892334,
        "relative_population": 0.23061212142147333
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]