[
  {
    "molid": "mol26389",
    "smiles": "Cn1nc2ccccc2[n+]1O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1[nH+]c2ccccc2[n+]1[O-]",
        "std_free_energy": 9.978514671325684,
        "relative_population": 0.07123745450928469
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1nc2ccccc2[n+]1O",
        "std_free_energy": 7.410680294036865,
        "relative_population": 0.9287625454907154
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cn1[nH+]c2ccccc2[n+]1O",
        "std_free_energy": 16.76532745361328,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.17,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]