pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.93	Datawarrior	1	0	Cc1nc2cnc[nH+]c2nc1C,Cc1nc2c[nH+]cnc2nc1C,Cc1nc2cncnc2[nH+]c1C,Cc1nc2ncncc2[nH+]c1C	Cc1nc2cncnc2nc1C	mol4796	Cc1nc2cncnc2nc1C
2.9300001	OCHEM	1	0	Cc1nc2cnc[nH+]c2nc1C,Cc1nc2c[nH+]cnc2nc1C,Cc1nc2cncnc2[nH+]c1C,Cc1nc2ncncc2[nH+]c1C	Cc1nc2cncnc2nc1C	mol4796	Cc1nc2cncnc2nc1C
2.9300000667572	QSARToolbox	1	0	Cc1nc2cnc[nH+]c2nc1C,Cc1nc2c[nH+]cnc2nc1C,Cc1nc2cncnc2[nH+]c1C,Cc1nc2ncncc2[nH+]c1C	Cc1nc2cncnc2nc1C	mol4796	Cc1nc2cncnc2nc1C