pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.78	Datawarrior	1	0	C[NH+](C)Cc1ccccc1CO	CN(C)Cc1ccccc1CO	mol12680	CN(C)Cc1ccccc1CO
8.7799997	OCHEM	1	0	C[NH+](C)Cc1ccccc1CO	CN(C)Cc1ccccc1CO	mol12680	CN(C)Cc1ccccc1CO
8.77999973297119	QSARToolbox	1	0	C[NH+](C)Cc1ccccc1CO	CN(C)Cc1ccccc1CO	mol12680	CN(C)Cc1ccccc1CO