pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.68	Datawarrior	1	0	Cc1cc([NH3+])c(C)cn1,Cc1cc(N)c(C)c[nH+]1	Cc1cc(N)c(C)cn1	mol13586	Cc1cc(N)c(C)cn1
9.6800003	OCHEM	1	0	Cc1cc([NH3+])c(C)cn1,Cc1cc(N)c(C)c[nH+]1	Cc1cc(N)c(C)cn1	mol13586	Cc1cc(N)c(C)cn1
9.68000030517578	QSARToolbox	1	0	Cc1cc([NH3+])c(C)cn1,Cc1cc(N)c(C)c[nH+]1	Cc1cc(N)c(C)cn1	mol13586	Cc1cc(N)c(C)cn1