[
  {
    "molid": "mol32609",
    "smiles": "Cc1ccc(S(=O)(O)=NCCC(=N)N(C)C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc([S@@](=O)(O)=NCCC(=N)N(C)C)cc1",
        "std_free_energy": 0.018447786569595337,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc([S@@](=O)(O)=NCCC(=[N-])N(C)C)cc1",
        "std_free_energy": 10.75694751739502,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]