pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	IUPAC digitized pKa	0	-1	C[C@H]1Nc2ccncc2N=C1O	C[C@H]1Nc2ccncc2N=C1[O-]	mol4696	CC1Nc2ccncc2N=C1O
12.28	IUPAC digitized pKa	-1	-2	C[C@H]1Nc2ccncc2N=C1[O-]	C[C@H]1[N-]c2ccncc2N=C1[O-]	mol4696	CC1Nc2ccncc2N=C1O