pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	IUPAC digitized pKa	0	-1	Cc1ccnc(S)n1	Cc1ccnc([S-])n1	mol4204	Cc1ccnc(S)n1
8.0	Datawarrior	0	-1	Cc1ccnc(S)n1	Cc1ccnc([S-])n1	mol4204	Cc1ccnc(S)n1
2.1	IUPAC digitized pKa	1	0	Cc1ccnc(S)[nH+]1,Cc1cc[nH+]c(S)n1	Cc1ccnc(S)n1	mol4204	Cc1ccnc(S)n1
2.2	Datawarrior	1	0	Cc1ccnc(S)[nH+]1,Cc1cc[nH+]c(S)n1	Cc1ccnc(S)n1	mol4204	Cc1ccnc(S)n1