[
  {
    "molid": "mol38414",
    "smiles": "COc1cccc(CNC(CO)C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(C[NH2+][C@H](CO)C(=O)[O-])c1",
        "std_free_energy": -11.648679733276367,
        "relative_population": 0.999908125951281
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cccc(CN[C@H](CO)C(=O)[O-])c1",
        "std_free_energy": -7.359576225280762,
        "relative_population": 0.9999997544747502
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.60000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]