pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.06	IUPAC digitized pKa	1	0	C1=C(Cc2ccccc2)[NH2+]CC1	C1=C(Cc2ccccc2)NCC1	mol1312	C1=C(Cc2ccccc2)NCC1
7.59999990463257	QSARToolbox	1	0	C1=C(Cc2ccccc2)[NH2+]CC1	C1=C(Cc2ccccc2)NCC1	mol1312	C1=C(Cc2ccccc2)NCC1