[
  {
    "molid": "mol2456",
    "smiles": "[H]/N=c1/cc(SC)n(C)c(N)n1",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 11.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]