[
  {
    "molid": "mol31174",
    "smiles": "CN1c2ccccc2N=CC1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1c2ccccc2N=C[C@H]1O",
        "std_free_energy": -7.684703826904297,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1c2ccccc2N=C[C@H]1[O-]",
        "std_free_energy": 5.582155704498291,
        "relative_population": 0.12254518142388654
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN1c2ccccc2N=C[C-]1O",
        "std_free_energy": 3.613610029220581,
        "relative_population": 0.8774548185761135
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]