[
  {
    "molid": "mol32503",
    "smiles": "NS(=O)(=O)c1ccc(N=Cc2ccccc2O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NS(=O)(=O)c1ccc(N=Cc2ccccc2O)cc1",
        "std_free_energy": -4.7459516525268555,
        "relative_population": 0.9396020892492603
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "NS(=O)(=O)c1ccc([NH+]=Cc2ccccc2[O-])cc1",
        "std_free_energy": -2.0013957023620605,
        "relative_population": 0.06039465007915019
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NS(=O)(=O)c1ccc(N=Cc2ccccc2[O-])cc1",
        "std_free_energy": -4.509317874908447,
        "relative_population": 0.9801160480057955
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6300001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]