[
  {
    "molid": "mol16207",
    "smiles": "N#Cc1ccc(S(=O)(=O)Nc2cc3c(=O)[nH]ccc3cc2F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1ccc(S(=O)(=O)Nc2cc3c(=O)[nH]ccc3cc2F)cc1",
        "std_free_energy": -5.251319885253906,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(=O)[nH]ccc3cc2F)cc1",
        "std_free_energy": -4.869790077209473,
        "relative_population": 0.9789601195777407
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]