[
  {
    "molid": "mol33674",
    "smiles": "Nc1ncc(OCc2ccc(Cl)cc2)c(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ncc(OCc2ccc(Cl)cc2)c(N)n1",
        "std_free_energy": -5.8391923904418945,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ncc(OCc2ccc(Cl)cc2)c([NH3+])n1",
        "std_free_energy": -3.3029909133911133,
        "relative_population": 0.27369647368237465
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1nc(N)c(OCc2ccc(Cl)cc2)c[nH+]1",
        "std_free_energy": -2.9145164489746094,
        "relative_population": 0.18559098884065384
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1nc([NH3+])ncc1OCc1ccc(Cl)cc1",
        "std_free_energy": -3.6257307529449463,
        "relative_population": 0.37794911556042543
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Nc1ncc(OCc2ccc(Cl)cc2)c(N)[nH+]1",
        "std_free_energy": -2.783268928527832,
        "relative_population": 0.162763421916546
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]