pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	IUPAC digitized pKa	0	-1	Cc1nc2c(OC(C)C)nc(N)nc2nc1O	Cc1nc2c(OC(C)C)nc(N)nc2nc1[O-]	mol8088	Cc1nc2c(OC(C)C)nc(N)nc2nc1O
1.14	IUPAC digitized pKa	2	1	Cc1[nH+]c2c(OC(C)C)[nH+]c(N)[nH+]c2nc1[O-],Cc1nc2c(OC(C)C)[nH+]c([NH3+])[nH+]c2nc1[O-]	Cc1nc2c(OC(C)C)[nH+]c(N)nc2nc1O,Cc1[nH+]c2c(OC(C)C)nc(N)nc2nc1O,Cc1nc2c(OC(C)C)nc([NH3+])nc2nc1O,Cc1nc2c(OC(C)C)nc(N)[nH+]c2nc1O	mol8088	Cc1nc2c(OC(C)C)nc(N)nc2nc1O