[
  {
    "molid": "mol15957",
    "smiles": "NCCNC(=S)S",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CCNC(=S)[S-]",
        "std_free_energy": -13.364644050598145,
        "relative_population": 0.9999939316415809
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCNC(=S)S",
        "std_free_energy": -2.4326171875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]