[
  {
    "molid": "mol17789",
    "smiles": "CC#CCOC(=O)Nc1cc(Cl)ccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC#CCOC(=O)Nc1cc(Cl)ccc1[O-]",
        "std_free_energy": -1.8734140396118164,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC#CCOC(=O)[N-]c1cc(Cl)ccc1[O-]",
        "std_free_energy": 9.1670503616333,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.16,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]