[
  {
    "molid": "mol35571",
    "smiles": "Cc1ccc(NCS(=O)(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(NCS(=O)(=O)O)cc1",
        "std_free_energy": -3.1283912658691406,
        "relative_population": 0.488014848510862
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc([NH2+]CS(=O)(=O)[O-])cc1",
        "std_free_energy": -3.1763410568237305,
        "relative_population": 0.5119851514891379
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(NCS(=O)(=O)[O-])cc1",
        "std_free_energy": -10.823003768920898,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.42999994754791,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]