pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.89	Datawarrior	1	0	CN(C)c1[nH+]cc(-c2ccccc2)s1,C[NH+](C)c1ncc(-c2ccccc2)s1	CN(C)c1ncc(-c2ccccc2)s1	mol13380	CN(C)c1ncc(-c2ccccc2)s1
4.8899999	OCHEM	1	0	CN(C)c1[nH+]cc(-c2ccccc2)s1,C[NH+](C)c1ncc(-c2ccccc2)s1	CN(C)c1ncc(-c2ccccc2)s1	mol13380	CN(C)c1ncc(-c2ccccc2)s1
4.8899998664856	QSARToolbox	1	0	CN(C)c1[nH+]cc(-c2ccccc2)s1,C[NH+](C)c1ncc(-c2ccccc2)s1	CN(C)c1ncc(-c2ccccc2)s1	mol13380	CN(C)c1ncc(-c2ccccc2)s1