[
  {
    "molid": "mol18100",
    "smiles": "C[C@H](NC(=O)c1nccc(O)c1O)C(=O)NCc1ccccc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[C@H](NC(=O)c1nccc(O)c1O)C(=O)NCc1ccccc1",
        "std_free_energy": -6.7721757888793945,
        "relative_population": 0.9999941885663235
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](NC(=O)c1nccc(O)c1[O-])C(=O)NCc1ccccc1",
        "std_free_energy": -3.305140733718872,
        "relative_population": 0.672652649687701
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](NC(=O)c1nccc([O-])c1O)C(=O)NCc1ccccc1",
        "std_free_energy": -2.5847976207733154,
        "relative_population": 0.32730287359158033
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]