pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.74	IUPAC digitized pKa	0	-1	Nc1nccn2c(S)ncc12,Nc1[nH+]ccn2c([S-])ncc12	Nc1nccn2c([S-])ncc12	mol7969	Nc1nccn2c(S)ncc12
5.66	IUPAC digitized pKa	1	0	Nc1nccn2c(S)[nH+]cc12,[NH3+]c1nccn2c(S)ncc12,Nc1[nH+]ccn2c(S)ncc12	Nc1nccn2c(S)ncc12,Nc1[nH+]ccn2c([S-])ncc12	mol7969	Nc1nccn2c(S)ncc12