[
  {
    "molid": "mol13136",
    "smiles": "COP(=O)(O)NS(C)(=O)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[P@](=O)(O)NS(C)(=O)=O",
        "std_free_energy": -0.3051043748855591,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[P@](=O)(O)[N-]S(C)(=O)=O",
        "std_free_energy": -11.58230209350586,
        "relative_population": 0.22588503491289705
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CO[P@](=O)([O-])NS(C)(=O)=O",
        "std_free_energy": -12.813996315002441,
        "relative_population": 0.774114965087103
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CO[P@](=O)([O-])[N-]S(C)(=O)=O",
        "std_free_energy": -13.189273834228516,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.1599999666214,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.55,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]