pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3	IUPAC digitized pKa	1	0	Cc1nc(N)[nH+]c(C)c1Br,Cc1nc([NH3+])nc(C)c1Br	Cc1nc(N)nc(C)c1Br	mol1607	Cc1nc(N)nc(C)c1Br
3.0	OCHEM	1	0	Cc1nc(N)[nH+]c(C)c1Br,Cc1nc([NH3+])nc(C)c1Br	Cc1nc(N)nc(C)c1Br	mol1607	Cc1nc(N)nc(C)c1Br
3.29999995231628	QSARToolbox	1	0	Cc1nc(N)[nH+]c(C)c1Br,Cc1nc([NH3+])nc(C)c1Br	Cc1nc(N)nc(C)c1Br	mol1607	Cc1nc(N)nc(C)c1Br
3.35	AttenGpKa training set	1	0	Cc1nc(N)[nH+]c(C)c1Br,Cc1nc([NH3+])nc(C)c1Br	Cc1nc(N)nc(C)c1Br	mol1607	Cc1nc(N)nc(C)c1Br