[
  {
    "molid": "mol34291",
    "smiles": "NCC(=O)NC(COP(=O)(O)O)C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)N[C@H](COP(=O)([O-])O)C(=O)NCC(=O)O",
        "std_free_energy": -5.567645072937012,
        "relative_population": 0.3400606547723532
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)N[C@H](COP(=O)(O)O)C(=O)NCC(=O)[O-]",
        "std_free_energy": -6.229185581207275,
        "relative_population": 0.6589611016014909
      },
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "[NH3+]CC(=O)N[C@H](COP(=O)([O-])O)C(=O)NCC(=O)[O-]",
        "std_free_energy": -12.499114990234375,
        "relative_population": 0.9730390372740879
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.28999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]