[
  {
    "molid": "mol35272",
    "smiles": "NCP(=O)(O)CN",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NCP(=O)([O-])C[NH3+]",
        "std_free_energy": -11.056131362915039,
        "relative_population": 0.9999920850968239
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]CP(=O)([O-])C[NH3+]",
        "std_free_energy": -12.562878608703613,
        "relative_population": 0.9999090020082925
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.51000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]