[
  {
    "molid": "mol10518",
    "smiles": "S=C1NNC(c2ccccc2)S1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "S=C1NN[C@H](c2ccccc2)S1",
        "std_free_energy": -6.162223815917969,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "S=C1[N-]N[C@H](c2ccccc2)S1",
        "std_free_energy": 1.377030372619629,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]