[
  {
    "molid": "mol14902",
    "smiles": "C(CSCCc1nnn[nH]1)SCCc1nnn[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C(CSCCc1nnn[nH]1)SCCc1nnn[nH]1",
        "std_free_energy": -3.008756160736084,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C(CSCCc1nnn[nH]1)SCCc1nnn[n-]1",
        "std_free_energy": -7.3296003341674805,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C(CSCCc1nnn[n-]1)SCCc1nnn[n-]1",
        "std_free_energy": -9.532588005065918,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.64,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.3200002,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.6399998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]