pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.42000007629395	QSARToolbox	1	0	O=C(Cc1cncc[nH+]1)c1cccnc1,O=C(Cc1cnccn1)c1ccc[nH+]c1,O=C(Cc1c[nH+]ccn1)c1cccnc1	O=C(Cc1cnccn1)c1cccnc1	mol3996	O=C(Cc1cnccn1)c1cccnc1
1.52999997138977	QSARToolbox	2	1	O=C(Cc1c[nH+]ccn1)c1ccc[nH+]c1,O=C(Cc1c[nH+]cc[nH+]1)c1cccnc1,O=C(Cc1cncc[nH+]1)c1ccc[nH+]c1	O=C(Cc1cncc[nH+]1)c1cccnc1,O=C(Cc1cnccn1)c1ccc[nH+]c1,O=C(Cc1c[nH+]ccn1)c1cccnc1	mol3996	O=C(Cc1cnccn1)c1cccnc1