[
  {
    "molid": "mol28028",
    "smiles": "C/N=C(\\N)P(=O)(O)OC",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/N=C(\\N)[P@](=O)([O-])OC",
        "std_free_energy": -5.922688961029053,
        "relative_population": 0.9999991974029977
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C/N=C(\\[NH-])[P@](=O)([O-])OC",
        "std_free_energy": 9.364755630493164,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.22,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]