[
  {
    "molid": "mol38462",
    "smiles": "NCCNCCS",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCNCCS",
        "std_free_energy": -2.2005581855773926,
        "relative_population": 0.18000157940277953
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      {
        "id": "0_2",
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        "smiles": "[NH3+]CCNCC[S-]",
        "std_free_energy": -3.292479991912842,
        "relative_population": 0.5364039051346975
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      {
        "id": "0_3",
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        "smiles": "NCC[NH2+]CC[S-]",
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      {
        "id": "1_1",
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        "smiles": "[NH3+]CCNCCS",
        "std_free_energy": -8.724800109863281,
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      {
        "id": "1_3",
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        "smiles": "NCC[NH2+]CCS",
        "std_free_energy": -7.7938971519470215,
        "relative_population": 0.28043975089330286
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39999961853027,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]