[
  {
    "molid": "mol26296",
    "smiles": "Cc1cnc2c(O)nc(-c3ccccc3)nc2n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cnc2c(O)nc(-c3ccccc3)nc2n1",
        "std_free_energy": -8.56638240814209,
        "relative_population": 0.9999991040400912
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cnc2c([O-])nc(-c3ccccc3)nc2n1",
        "std_free_energy": -3.0861408710479736,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]