[
  {
    "molid": "mol31455",
    "smiles": "O=c1c2ccccc2nc(-c2ccccc2)n1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1c2ccccc2nc(-c2ccccc2)n1O",
        "std_free_energy": -6.1978678703308105,
        "relative_population": 0.9968949126836596
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1c2ccccc2nc(-c2ccccc2)n1[O-]",
        "std_free_energy": -4.6384124755859375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]