pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.55	Datawarrior	2	1	C[NH+]1CCn2c([nH+]c3ccccc32)C1	C[NH+]1CCn2c(nc3ccccc32)C1,CN1CCn2c([nH+]c3ccccc32)C1	mol15118	CN1CCn2c(nc3ccccc32)C1
2.54999995231628	QSARToolbox	2	1	C[NH+]1CCn2c([nH+]c3ccccc32)C1	C[NH+]1CCn2c(nc3ccccc32)C1,CN1CCn2c([nH+]c3ccccc32)C1	mol15118	CN1CCn2c(nc3ccccc32)C1