pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.15	IUPAC digitized pKa	0	-1	Cc1ccnc2c(S)cccc12,Cc1cc[nH+]c2c([S-])cccc12	Cc1ccnc2c([S-])cccc12	mol7757	Cc1ccnc2c(S)cccc12
9.1	OCHEM	0	-1	Cc1ccnc2c(S)cccc12,Cc1cc[nH+]c2c([S-])cccc12	Cc1ccnc2c([S-])cccc12	mol7757	Cc1ccnc2c(S)cccc12
9.14999961853027	QSARToolbox	0	-1	Cc1ccnc2c(S)cccc12,Cc1cc[nH+]c2c([S-])cccc12	Cc1ccnc2c([S-])cccc12	mol7757	Cc1ccnc2c(S)cccc12
2.07	IUPAC digitized pKa	1	0	Cc1cc[nH+]c2c(S)cccc12	Cc1ccnc2c(S)cccc12,Cc1cc[nH+]c2c([S-])cccc12	mol7757	Cc1ccnc2c(S)cccc12
2.70000004768372	QSARToolbox	1	0	Cc1cc[nH+]c2c(S)cccc12	Cc1ccnc2c(S)cccc12,Cc1cc[nH+]c2c([S-])cccc12	mol7757	Cc1ccnc2c(S)cccc12