pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.76	IUPAC digitized pKa	1	0	Cc1ncc2[nH+]c(C)c(C)nc2n1,Cc1ncc2nc(C)c(C)nc2[nH+]1,Cc1nc2nc(C)c(C)nc2c[nH+]1,Cc1ncc2nc(C)c(C)[nH+]c2n1	Cc1ncc2nc(C)c(C)nc2n1	mol4845	Cc1ncc2nc(C)c(C)nc2n1
3.75999999046326	QSARToolbox	1	0	Cc1ncc2[nH+]c(C)c(C)nc2n1,Cc1ncc2nc(C)c(C)nc2[nH+]1,Cc1nc2nc(C)c(C)nc2c[nH+]1,Cc1ncc2nc(C)c(C)[nH+]c2n1	Cc1ncc2nc(C)c(C)nc2n1	mol4845	Cc1ncc2nc(C)c(C)nc2n1