pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8600001335144	QSARToolbox	3	2	Cc1[nH]c[nH+]c1CN(CCc1c[nH]c[nH+]1)Cc1[nH+]c[nH]c1C,Cc1[nH]c[nH+]c1C[NH+](CCc1c[nH]cn1)Cc1[nH+]c[nH]c1C	Cc1[nH]c[nH+]c1CN(CCc1c[nH]cn1)Cc1[nH+]c[nH]c1C,Cc1[nH]cnc1CN(CCc1c[nH]c[nH+]1)Cc1[nH+]c[nH]c1C,Cc1[nH]cnc1C[NH+](CCc1c[nH]c[nH+]1)Cc1nc[nH]c1C	mol35323	Cc1[nH]cnc1CN(CCc1c[nH]cn1)Cc1nc[nH]c1C