[
  {
    "molid": "mol12412",
    "smiles": "O=C(O)c1cscn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1csc[nH+]1",
        "std_free_energy": -1.2309333086013794,
        "relative_population": 0.13332657966513417
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1cscn1",
        "std_free_energy": -3.1027939319610596,
        "relative_population": 0.8666734203348659
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cscn1",
        "std_free_energy": -10.402215957641602,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.6400001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.9000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.48000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.80999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]