[
  {
    "molid": "mol35241",
    "smiles": "NCC(=O)NCP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)NCP(=O)([O-])O",
        "std_free_energy": -9.972772598266602,
        "relative_population": 0.9998990253964058
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+]CC(=O)NCP(=O)([O-])[O-]",
        "std_free_energy": -13.57839298248291,
        "relative_population": 0.9872419431255048
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "NCC(=O)NCP(=O)([O-])[O-]",
        "std_free_energy": -8.81635856628418,
        "relative_population": 0.9999897840312283
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.19000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.34000015258789,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]