[
  {
    "molid": "mol6973",
    "smiles": "C[S+]([O-])c1ccnnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[S@+]([O-])c1ccnnc1",
        "std_free_energy": -7.247287750244141,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[S@+]([O-])c1cc[nH+]nc1",
        "std_free_energy": 6.058414459228516,
        "relative_population": 0.7374448407033583
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[S@+]([O-])c1ccn[nH+]c1",
        "std_free_energy": 7.091144561767578,
        "relative_population": 0.2625551592966418
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.219999998807907,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]