[
  {
    "molid": "mol34125",
    "smiles": "COc1ccc(Sc2ccc(N)cc2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(Sc2ccc([NH3+])cc2C(=O)[O-])cc1",
        "std_free_energy": -3.66188907623291,
        "relative_population": 0.4939497682242526
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc(Sc2ccc(N)cc2C(=O)O)cc1",
        "std_free_energy": -3.686091184616089,
        "relative_population": 0.5060502317757473
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(Sc2ccc(N)cc2C(=O)[O-])cc1",
        "std_free_energy": -9.662593841552734,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]