[
  {
    "molid": "mol35675",
    "smiles": "CCNC(=S)N/N=C/c1c(CO)cnc(C)c1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CCNC(=S)[N-]/N=C/c1c(C[O-])cnc(C)c1[O-]",
        "std_free_energy": 10.532327651977539,
        "relative_population": 0.23004200803656213
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        "smiles": "CC[N-]C(=S)[N-]/N=C/c1c(CO)cnc(C)c1[O-]",
        "std_free_energy": 10.783773422241211,
        "relative_population": 0.17889806343672282
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        "id": "-3_3",
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        "smiles": "CC[N-]C(=S)N/N=C/c1c(C[O-])cnc(C)c1[O-]",
        "std_free_energy": 10.05317497253418,
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        "id": "-3_4",
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        "smiles": "CC[N-]C(=S)[N-]/N=C/c1c(C[O-])cnc(C)c1O",
        "std_free_energy": 10.578737258911133,
        "relative_population": 0.2196097986199861
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      {
        "id": "-2_2",
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        "smiles": "CC[N-]C(=S)[N-]/N=C/c1c(CO)cnc(C)c1O",
        "std_free_energy": 6.648221015930176,
        "relative_population": 0.8120090886466467
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    ],
    "macro_pka_values": [
      {
        "pka_value": 11.5100002288818,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]