[
  {
    "molid": "mol8532",
    "smiles": "O=C(O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)OCc1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)OCc1ccccc1",
        "std_free_energy": -10.138472557067871,
        "relative_population": 0.9984819834385112
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)OCc1ccccc1",
        "std_free_energy": -9.636204719543457,
        "relative_population": 0.9999999852246825
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]