[
  {
    "molid": "mol38516",
    "smiles": "CC(C)CC(NC(=O)C(N)COP(=O)(O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C[C@H](NC(=O)[C@@H]([NH3+])COP(=O)(O)O)C(=O)[O-]",
        "std_free_energy": -6.251977920532227,
        "relative_population": 0.5823388398541396
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)C[C@H](NC(=O)[C@@H]([NH3+])COP(=O)([O-])O)C(=O)O",
        "std_free_energy": -5.9167256355285645,
        "relative_population": 0.4164640704158905
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)C[C@H](NC(=O)[C@@H]([NH3+])COP(=O)([O-])O)C(=O)[O-]",
        "std_free_energy": -12.079895973205566,
        "relative_population": 0.9105524285184609
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.10999989509583,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]