[
  {
    "molid": "mol608",
    "smiles": "O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)[NH2+]1",
        "std_free_energy": -12.240157127380371,
        "relative_population": 0.999701226565937
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1",
        "std_free_energy": -8.651897430419922,
        "relative_population": 0.9999999937271044
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]