[
  {
    "molid": "mol19975",
    "smiles": "Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(NC(C)C)OCCSC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 10.63,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]