pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Datawarrior	1	0	Cc1cc(-c2ccccc2)[nH+]n(CCN2CCOCC2)c1=N,Cc1cc(-c2ccccc2)nn(CC[NH+]2CCOCC2)c1=N,Cc1cc(-c2ccccc2)nn(CCN2CCOCC2)c1=[NH2+]	Cc1cc(-c2ccccc2)nn(CCN2CCOCC2)c1=N	mol15027	Cc1cc(-c2ccccc2)nn(CCN2CCOCC2)c1=N
9.6999998	OCHEM	1	0	Cc1cc(-c2ccccc2)[nH+]n(CCN2CCOCC2)c1=N,Cc1cc(-c2ccccc2)nn(CC[NH+]2CCOCC2)c1=N,Cc1cc(-c2ccccc2)nn(CCN2CCOCC2)c1=[NH2+]	Cc1cc(-c2ccccc2)nn(CCN2CCOCC2)c1=N	mol15027	Cc1cc(-c2ccccc2)nn(CCN2CCOCC2)c1=N