[
  {
    "molid": "mol37396",
    "smiles": "NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1",
        "std_free_energy": -6.838580131530762,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1",
        "std_free_energy": 7.185944080352783,
        "relative_population": 0.3102131895033488
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)[C@H](CC(=O)OCc1ccccc1)[N-]C(=O)OCc1ccccc1",
        "std_free_energy": 6.386821269989014,
        "relative_population": 0.6897868104966512
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]