[
  {
    "molid": "mol35075",
    "smiles": "NC(CCS(=O)(=O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "N[C@H](CCS(=O)(=O)[O-])P(=O)([O-])[O-]",
        "std_free_energy": -8.074596405029297,
        "relative_population": 0.9999536387665662
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "[NH3+][C@H](CCS(=O)(=O)[O-])P(=O)([O-])[O-]",
        "std_free_energy": -14.0820951461792,
        "relative_population": 0.9875241200928095
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.94999980926514,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]