[
  {
    "molid": "mol37640",
    "smiles": "C[C@H]([C@H](C)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "C[C@H]([C@H](C)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -5.2257161140441895,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "C[C@H]([C@H](C)[NH+](CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -15.9702787399292,
        "relative_population": 0.9998636720707893
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0799999237061,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]