[
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    "molid": "mol34379",
    "smiles": "COc1cc2c(NN)ncnc2c(OC)c1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(NN)ncnc2c(OC)c1OC",
        "std_free_energy": -4.827995300292969,
        "relative_population": 1.0
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      {
        "id": "1_1",
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        "smiles": "COc1cc2c(NN)[nH+]cnc2c(OC)c1OC",
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        "relative_population": 0.40686837819648936
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc2c([NH2+]N)ncnc2c(OC)c1OC",
        "std_free_energy": -1.7470581531524658,
        "relative_population": 0.09481057614664798
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      {
        "id": "1_4",
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        "smiles": "COc1cc2c(NN)nc[nH+]c2c(OC)c1OC",
        "std_free_energy": -3.3228845596313477,
        "relative_population": 0.4583840510952169
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.92999982833862,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]