[
  {
    "molid": "mol37882",
    "smiles": "O=C(O)c1n[nH]c(C(=O)O)n1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)c1n[nH]c(C(=O)[O-])n1",
        "std_free_energy": -8.077025413513184,
        "relative_population": 0.46062105810939746
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=C([O-])c1n[nH]c(C(=O)O)n1",
        "std_free_energy": -8.227325439453125,
        "relative_population": 0.5353259057998725
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1n[nH]c(C(=O)[O-])n1",
        "std_free_energy": -10.382108688354492,
        "relative_population": 0.9741108215003801
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.94000005722046,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]