[
  {
    "molid": "mol35834",
    "smiles": "CCNc1cccc(S(=O)(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH2+]c1cccc(S(=O)(=O)[O-])c1",
        "std_free_energy": -3.630659580230713,
        "relative_population": 0.9884287873344267
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCNc1cccc(S(=O)(=O)[O-])c1",
        "std_free_energy": -9.975974082946777,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]