[
  {
    "molid": "mol25350",
    "smiles": "CCCc1csc(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCc1csc(N)n1",
        "std_free_energy": -5.091124534606934,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCc1csc([NH3+])n1",
        "std_free_energy": -2.7323100566864014,
        "relative_population": 0.507686962954617
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCc1csc(N)[nH+]1",
        "std_free_energy": -2.7015597820281982,
        "relative_population": 0.49231303704538293
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]