[
  {
    "molid": "mol2844",
    "smiles": "COc1cc(Nc2ccccc2C(=O)O)cc(OC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(Nc2ccccc2C(=O)O)cc(OC)c1",
        "std_free_energy": -5.40808629989624,
        "relative_population": 0.9984358880477117
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(Nc2ccccc2C(=O)[O-])cc(OC)c1",
        "std_free_energy": -9.420028686523438,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]