[
  {
    "molid": "mol26199",
    "smiles": "Cc1nc(O)c2nccnc2n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1nc(O)c2nccnc2n1",
        "std_free_energy": -7.781076908111572,
        "relative_population": 0.9999815021166981
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc([O-])c2nccnc2n1",
        "std_free_energy": -2.5955147743225098,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]