[
  {
    "molid": "mol26269",
    "smiles": "Cc1nc2c(N)nc(O)[n+](C)c2nc1C",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1nc2c(N)nc([O-])[n+](C)c2nc1C",
        "std_free_energy": -6.23665714263916,
        "relative_population": 0.9998935460159711
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc2c(N)nc(O)[n+](C)c2nc1C",
        "std_free_energy": 0.3598369359970093,
        "relative_population": 0.953330657240179
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]