[
  {
    "molid": "mol1362",
    "smiles": "NCCc1cscn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCc1cscn1",
        "std_free_energy": -1.8306959867477417,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCc1cscn1",
        "std_free_energy": -8.777494430541992,
        "relative_population": 0.977283100395486
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+]CCc1csc[nH+]1",
        "std_free_energy": 0.20479902625083923,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.48,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.68,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]