[
  {
    "molid": "mol36589",
    "smiles": "NC(=S)N=Nc1c(O)c2ccccc2c2ccccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=S)N=Nc1c([O-])c2ccccc2c2ccccc12",
        "std_free_energy": -1.9018858671188354,
        "relative_population": 0.9927855012004254
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[NH-]C(=S)N=Nc1c([O-])c2ccccc2c2ccccc12",
        "std_free_energy": 8.81705093383789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]