[
  {
    "molid": "mol31623",
    "smiles": "O/N=C(\\c1ccccc1)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O/N=C(\\c1ccccc1)c1ccccc1O",
        "std_free_energy": -6.9485697746276855,
        "relative_population": 0.9999939779238475
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccccc1/C(=N/O)c1ccccc1",
        "std_free_energy": -1.2122095823287964,
        "relative_population": 0.914073175491254
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]/N=C(\\c1ccccc1)c1ccccc1O",
        "std_free_energy": 1.152204990386963,
        "relative_population": 0.085926824508746
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]