[
  {
    "molid": "mol38597",
    "smiles": "NC(Cc1ccc(O)cc1)C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1ccc(O)cc1)C(=O)NCC(=O)[O-]",
        "std_free_energy": -11.637077331542969,
        "relative_population": 0.9999626184448208
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+][C@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O",
        "std_free_energy": -3.157834529876709,
        "relative_population": 0.9987136010443676
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.13000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]