pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	IUPAC digitized pKa	0	-1	CN(C)c1cc(S)ncn1	CN(C)c1cc([S-])ncn1	mol7406	CN(C)c1cc(S)ncn1
-0.27	AttenGpKa training set	1	0	CN(C)c1cc(S)[nH+]cn1,CN(C)c1cc(S)nc[nH+]1,C[NH+](C)c1cc(S)ncn1	CN(C)c1cc(S)ncn1	mol7406	CN(C)c1cc(S)ncn1