[
  {
    "molid": "mol12952",
    "smiles": "Cn1nnnc1CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nnnc1CC(=O)O",
        "std_free_energy": -2.8120713233947754,
        "relative_population": 0.9993500111091089
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1nnnc1CC(=O)[O-]",
        "std_free_energy": -11.760978698730469,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.83,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.8299999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.82999992370605,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]