[
  {
    "molid": "mol18618",
    "smiles": "CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(N=[N+]=[N-])ccc23)cc1",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]