pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.98000001907349	QSARToolbox	1	0	O=C(Cc1cncc[nH+]1)c1ccccn1,O=C(Cc1c[nH+]ccn1)c1ccccn1,O=C(Cc1cnccn1)c1cccc[nH+]1	O=C(Cc1cnccn1)c1ccccn1	mol3995	O=C(Cc1cnccn1)c1ccccn1
1.21000003814697	QSARToolbox	2	1	O=C(Cc1c[nH+]cc[nH+]1)c1ccccn1,O=C(Cc1cncc[nH+]1)c1cccc[nH+]1,O=C(Cc1c[nH+]ccn1)c1cccc[nH+]1	O=C(Cc1cncc[nH+]1)c1ccccn1,O=C(Cc1c[nH+]ccn1)c1ccccn1,O=C(Cc1cnccn1)c1cccc[nH+]1	mol3995	O=C(Cc1cnccn1)c1ccccn1