[
  {
    "molid": "mol26383",
    "smiles": "Cn1c(O)nc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(O)nc2ccccc21",
        "std_free_energy": -8.176667213439941,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1c([OH2+])nc2ccccc21",
        "std_free_energy": 12.56702995300293,
        "relative_population": 0.09061895046115717
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c(O)[nH+]c2ccccc21",
        "std_free_energy": 10.260929107666016,
        "relative_population": 0.9093810495388428
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.42,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]