[
  {
    "molid": "mol16954",
    "smiles": "O=CN(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=CN(O)c1ccccc1",
        "std_free_energy": -5.575647830963135,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=CN([O-])c1ccccc1",
        "std_free_energy": -2.724226951599121,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]