[
  {
    "molid": "mol8575",
    "smiles": "O=C(O)[C@H](CO)Nc1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H](CO)Nc1ccccc1",
        "std_free_energy": -9.733818054199219,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@H](C[O-])Nc1ccccc1",
        "std_free_energy": 8.374332427978516,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.86,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]