pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.15	IUPAC digitized pKa	0	-1	CCNc1ccnc(S)n1	CCNc1ccnc([S-])n1	mol4188	CCNc1ccnc(S)n1
11.13	Datawarrior	0	-1	CCNc1ccnc(S)n1	CCNc1ccnc([S-])n1	mol4188	CCNc1ccnc(S)n1
3.08	IUPAC digitized pKa	1	0	CCNc1ccnc(S)[nH+]1,CC[NH2+]c1ccnc(S)n1,CCNc1cc[nH+]c(S)n1	CCNc1ccnc(S)n1	mol4188	CCNc1ccnc(S)n1
3.1	Datawarrior	1	0	CCNc1ccnc(S)[nH+]1,CC[NH2+]c1ccnc(S)n1,CCNc1cc[nH+]c(S)n1	CCNc1ccnc(S)n1	mol4188	CCNc1ccnc(S)n1
3.0999999	OCHEM	1	0	CCNc1ccnc(S)[nH+]1,CC[NH2+]c1ccnc(S)n1,CCNc1cc[nH+]c(S)n1	CCNc1ccnc(S)n1	mol4188	CCNc1ccnc(S)n1