[
  {
    "molid": "mol35327",
    "smiles": "Cc1c(SS(C)(=O)=O)c2cnccn2c1SS(C)(=O)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(SS(C)(=O)=O)c2cnccn2c1SS(C)(=O)=O",
        "std_free_energy": -6.111757278442383,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(SS(C)(=O)=O)c2c[nH+]ccn2c1SS(C)(=O)=O",
        "std_free_energy": 1.8866686820983887,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.29999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]