[
  {
    "molid": "mol37952",
    "smiles": "O=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1",
        "std_free_energy": -7.796536445617676,
        "relative_population": 0.9970139379174244
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(/N=N/c2ccc([O-])c3ccccc23)cc1",
        "std_free_energy": -3.7064030170440674,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.10999965667725,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]