[
  {
    "molid": "mol36485",
    "smiles": "N=C(N)NCCCSP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)NCCCSP(=O)(O)O",
        "std_free_energy": 2.21986722946167,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N=C(N)[N-]CCCSP(=O)(O)O",
        "std_free_energy": 8.509769439697266,
        "relative_population": 0.5615312640063809
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[N-]=C(N)NCCCSP(=O)(O)O",
        "std_free_energy": 8.771546363830566,
        "relative_population": 0.4322009006468861
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.34999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]