[
  {
    "molid": "mol34804",
    "smiles": "CC(=O)NC(C)C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N[C@@H](C)C(=O)NCC(=O)O",
        "std_free_energy": -3.4208054542541504,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)N[C@@H](C)C(=O)NCC(=O)[O-]",
        "std_free_energy": -10.320170402526855,
        "relative_population": 0.9999083004388148
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.50999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]