[
  {
    "molid": "mol29608",
    "smiles": "O/N=C1/C(c2ccccc2)=Nc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O/N=C1/C(c2ccccc2)=Nc2ccccc21",
        "std_free_energy": -8.009444236755371,
        "relative_population": 0.9999999475449661
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]/N=C1/C(c2ccccc2)=Nc2ccccc21",
        "std_free_energy": -0.1683390736579895,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.69,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]