[
  {
    "molid": "mol16537",
    "smiles": "O/N=C/c1cc[n+](COCc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]/N=C/c1cc[n+](COCc2ccccc2)cc1",
        "std_free_energy": -2.038686752319336,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O/N=C/c1cc[n+](COCc2ccccc2)cc1",
        "std_free_energy": -5.508167743682861,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]