pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.95	IUPAC digitized pKa	1	0	Cc1c[nH+]cc(C)c1N,Cc1cncc(C)c1[NH3+]	Cc1cncc(C)c1N	mol3610	Cc1cncc(C)c1N
9.53	IUPAC digitized pKa	1	0	Cc1c[nH+]cc(C)c1N,Cc1cncc(C)c1[NH3+]	Cc1cncc(C)c1N	mol3610	Cc1cncc(C)c1N
9.16	IUPAC digitized pKa	1	0	Cc1c[nH+]cc(C)c1N,Cc1cncc(C)c1[NH3+]	Cc1cncc(C)c1N	mol3610	Cc1cncc(C)c1N
9.54	OCHEM	1	0	Cc1c[nH+]cc(C)c1N,Cc1cncc(C)c1[NH3+]	Cc1cncc(C)c1N	mol3610	Cc1cncc(C)c1N
9.52999973297119	QSARToolbox	1	0	Cc1c[nH+]cc(C)c1N,Cc1cncc(C)c1[NH3+]	Cc1cncc(C)c1N	mol3610	Cc1cncc(C)c1N