[
  {
    "molid": "mol2738",
    "smiles": "Cc1cc(C)c(C2C(=O)C3C(C2=O)[C@@]2(C)CC[C@]3(C)[S+]2[O-])c(C)c1",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 2.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]