pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.49	IUPAC digitized pKa	0	-1	CN(C)c1cc(O)ncn1	CN(C)c1cc([O-])ncn1	mol1348	CN(C)c1cc(O)ncn1
10.42	AttenGpKa training set	0	-1	CN(C)c1cc(O)ncn1	CN(C)c1cc([O-])ncn1	mol1348	CN(C)c1cc(O)ncn1
1.22	IUPAC digitized pKa	1	0	C[NH+](C)c1cc(O)ncn1,CN(C)c1cc(O)[nH+]cn1,CN(C)c1cc(O)nc[nH+]1	CN(C)c1cc(O)ncn1	mol1348	CN(C)c1cc(O)ncn1