[
  {
    "molid": "mol26260",
    "smiles": "CCc1nc2cnc(O)nc2nc1CC",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCc1nc2cnc(O)nc2nc1CC",
        "std_free_energy": -6.792017936706543,
        "relative_population": 0.9999932462181921
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1nc2cnc([O-])nc2nc1CC",
        "std_free_energy": -2.669332504272461,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]