pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.87	Datawarrior	1	0	Cc1ncc2nccnc2[nH+]1,Cc1ncc2ncc[nH+]c2n1,Cc1nc2nccnc2c[nH+]1,Cc1ncc2[nH+]ccnc2n1	Cc1ncc2nccnc2n1	mol4827	Cc1ncc2nccnc2n1
4.8699999	OCHEM	1	0	Cc1ncc2nccnc2[nH+]1,Cc1ncc2ncc[nH+]c2n1,Cc1nc2nccnc2c[nH+]1,Cc1ncc2[nH+]ccnc2n1	Cc1ncc2nccnc2n1	mol4827	Cc1ncc2nccnc2n1
4.86999988555908	QSARToolbox	1	0	Cc1ncc2nccnc2[nH+]1,Cc1ncc2ncc[nH+]c2n1,Cc1nc2nccnc2c[nH+]1,Cc1ncc2[nH+]ccnc2n1	Cc1ncc2nccnc2n1	mol4827	Cc1ncc2nccnc2n1