[
  {
    "molid": "mol18103",
    "smiles": "O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1nccc(O)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1nccc(O)c1O",
        "std_free_energy": -6.717496871948242,
        "relative_population": 0.9999845026557368
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1nccc(O)c1[O-]",
        "std_free_energy": -3.110753059387207,
        "relative_population": 0.6109983958527726
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1nccc([O-])c1O",
        "std_free_energy": -2.6591591835021973,
        "relative_population": 0.38896931464158396
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]