pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.91	Datawarrior	1	0	Cn1ccnc1-c1[nH+]ccn1C	Cn1ccnc1-c1nccn1C	mol12756	Cn1ccnc1-c1nccn1C
4.9099998	OCHEM	1	0	Cn1ccnc1-c1[nH+]ccn1C	Cn1ccnc1-c1nccn1C	mol12756	Cn1ccnc1-c1nccn1C
4.90999984741211	QSARToolbox	1	0	Cn1ccnc1-c1[nH+]ccn1C	Cn1ccnc1-c1nccn1C	mol12756	Cn1ccnc1-c1nccn1C
0.5	Datawarrior	2	1	Cn1cc[nH+]c1-c1[nH+]ccn1C	Cn1ccnc1-c1[nH+]ccn1C	mol12756	Cn1ccnc1-c1nccn1C