[
  {
    "molid": "mol35079",
    "smiles": "NC(COP(=O)(O)O)C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@@H](COP(=O)([O-])O)C(=O)NCC(=O)O",
        "std_free_energy": -5.70166015625,
        "relative_population": 0.607203900369208
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+][C@@H](COP(=O)(O)O)C(=O)NCC(=O)[O-]",
        "std_free_energy": -5.2625508308410645,
        "relative_population": 0.3914098904987775
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[NH3+][C@@H](COP(=O)([O-])O)C(=O)NCC(=O)[O-]",
        "std_free_energy": -12.550444602966309,
        "relative_population": 0.9330855592855922
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.13000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]