[
  {
    "molid": "mol9626",
    "smiles": "O=C(O)c1cnc(C(=O)O)cn1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)c1cnc(C(=O)O)cn1",
        "std_free_energy": -0.5168598294258118,
        "relative_population": 0.9998834537969323
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cnc(C(=O)O)cn1",
        "std_free_energy": -10.592974662780762,
        "relative_population": 0.97178343257753
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]