[
  {
    "molid": "mol3835",
    "smiles": "[O-][n+]1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1cccc[n+]1O",
        "std_free_energy": -3.9470386505126953,
        "relative_population": 0.2694502353272763
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-][n+]1ccccc1O",
        "std_free_energy": -4.944452285766602,
        "relative_population": 0.7305497646727237
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccc[n+]1[O-]",
        "std_free_energy": -6.2795023918151855,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.975,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]