[
  {
    "molid": "mol34194",
    "smiles": "Oc1cccnc1S",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1cccnc1S",
        "std_free_energy": -6.507399082183838,
        "relative_population": 0.9999998767371336
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Oc1cccnc1[S-]",
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        "relative_population": 0.053895294440210864
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cccnc1S",
        "std_free_energy": -4.297737121582031,
        "relative_population": 0.9461047055597892
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1cccnc1[S-]",
        "std_free_energy": 8.543838500976562,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.89999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.6099996566772,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]