pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.74	IUPAC digitized pKa	1	0	Nc1nc[nH+]c2scnc12,Nc1[nH+]cnc2scnc12,[NH3+]c1ncnc2scnc12,Nc1ncnc2sc[nH+]c12	Nc1ncnc2scnc12	mol4966	Nc1ncnc2scnc12
2.77	Datawarrior	1	0	Nc1nc[nH+]c2scnc12,Nc1[nH+]cnc2scnc12,[NH3+]c1ncnc2scnc12,Nc1ncnc2sc[nH+]c12	Nc1ncnc2scnc12	mol4966	Nc1ncnc2scnc12