[
  {
    "molid": "mol26330",
    "smiles": "COc1ccc2nc(-c3ccccc3)nc(N(C)C)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2nc(-c3ccccc3)nc(N(C)C)c2c1",
        "std_free_energy": -5.593806743621826,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2[nH+]c(-c3ccccc3)nc(N(C)C)c2c1",
        "std_free_energy": -2.6989424228668213,
        "relative_population": 0.33157267108144634
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc2nc(-c3ccccc3)[nH+]c(N(C)C)c2c1",
        "std_free_energy": -2.714221715927124,
        "relative_population": 0.33667776891873674
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1ccc2nc(-c3ccccc3)nc([NH+](C)C)c2c1",
        "std_free_energy": -2.6994757652282715,
        "relative_population": 0.3317495599998169
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6100001335144,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]