[
  {
    "molid": "mol38584",
    "smiles": "CNC(Cc1c(C)cc(O)cc1C)C(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)[O-]",
        "std_free_energy": -5.500030517578125,
        "relative_population": 0.6970963552510643
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[NH2+][C@H](Cc1c(C)cc([O-])cc1C)C(=O)[O-]",
        "std_free_energy": -4.66598653793335,
        "relative_population": 0.30274160847842135
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CN[C@H](Cc1c(C)cc([O-])cc1C)C(=O)[O-]",
        "std_free_energy": 3.958111047744751,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.75,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]