pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.55	IUPAC digitized pKa	1	0	c1ccc(C2=[NH+]CCN2)nc1,c1ccc(C2=NCCN2)[nH+]c1	c1ccc(C2=NCCN2)nc1	mol3934	c1ccc(C2=NCCN2)nc1
8.98	IUPAC digitized pKa	1	0	c1ccc(C2=[NH+]CCN2)nc1,c1ccc(C2=NCCN2)[nH+]c1	c1ccc(C2=NCCN2)nc1	mol3934	c1ccc(C2=NCCN2)nc1
8.65	IUPAC digitized pKa	1	0	c1ccc(C2=[NH+]CCN2)nc1,c1ccc(C2=NCCN2)[nH+]c1	c1ccc(C2=NCCN2)nc1	mol3934	c1ccc(C2=NCCN2)nc1
9.34	IUPAC digitized pKa	1	0	c1ccc(C2=[NH+]CCN2)nc1,c1ccc(C2=NCCN2)[nH+]c1	c1ccc(C2=NCCN2)nc1	mol3934	c1ccc(C2=NCCN2)nc1
8.93	IUPAC digitized pKa	1	0	c1ccc(C2=[NH+]CCN2)nc1,c1ccc(C2=NCCN2)[nH+]c1	c1ccc(C2=NCCN2)nc1	mol3934	c1ccc(C2=NCCN2)nc1
8.68	IUPAC digitized pKa	1	0	c1ccc(C2=[NH+]CCN2)nc1,c1ccc(C2=NCCN2)[nH+]c1	c1ccc(C2=NCCN2)nc1	mol3934	c1ccc(C2=NCCN2)nc1
8.9799995	OCHEM	1	0	c1ccc(C2=[NH+]CCN2)nc1,c1ccc(C2=NCCN2)[nH+]c1	c1ccc(C2=NCCN2)nc1	mol3934	c1ccc(C2=NCCN2)nc1