pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.59	IUPAC digitized pKa	1	0	Cn1ccc([NH+](C)C)nc1=S,CN(C)c1ccn(C)c(=S)[nH+]1	CN(C)c1ccn(C)c(=S)n1	mol7397	CN(C)c1ccn(C)c(=S)n1
2.62	AttenGpKa training set	1	0	Cn1ccc([NH+](C)C)nc1=S,CN(C)c1ccn(C)c(=S)[nH+]1	CN(C)c1ccn(C)c(=S)n1	mol7397	CN(C)c1ccn(C)c(=S)n1