[
  {
    "molid": "mol12808",
    "smiles": "OC[C@@H]1O[C@@H]2NC(=S)O[C@@H]2[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@@H]1O[C@@H]2NC(=S)O[C@@H]2[C@H]1O",
        "std_free_energy": -6.873492240905762,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "OC[C@@H]1O[C@@H]2[N-]C(=S)O[C@@H]2[C@H]1O",
        "std_free_energy": -0.20944929122924805,
        "relative_population": 0.9980600862090137
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.48,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.47999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]