[
  {
    "molid": "mol19223",
    "smiles": "O=Cc1cccc(C2=C(NC(=O)Cc3ccccc3)C(=O)c3ccccc3C2=O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=Cc1cccc(C2=C(NC(=O)Cc3ccccc3)C(=O)c3ccccc3C2=O)c1",
        "std_free_energy": -6.482725143432617,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Cc1cccc(C2=C([N-]C(=O)Cc3ccccc3)C(=O)c3ccccc3C2=O)c1",
        "std_free_energy": 3.869513750076294,
        "relative_population": 0.33457309239388877
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=Cc1cccc(C2=C(NC(=O)[CH-]c3ccccc3)C(=O)c3ccccc3C2=O)c1",
        "std_free_energy": 3.1819403171539307,
        "relative_population": 0.6654269076061112
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]