[
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    "molid": "mol38275",
    "smiles": "c1ccc(CNc2cccc3cccnc23)nc1",
    "microspecies": [
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        "id": "2_1",
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        "smiles": "c1ccc(CNc2cccc3ccc[nH+]c23)[nH+]c1",
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        "smiles": "c1ccc(C[NH2+]c2cccc3cccnc23)[nH+]c1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.79999995231628,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]