pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.4	IUPAC digitized pKa	2	1	Cc1nc2c(OC(C)C)nc([NH3+])[nH+]c2n(C)c1=O,Cc1[nH+]c2c(OC(C)C)nc(N)[nH+]c2n(C)c1=O,Cc1[nH+]c2c(OC(C)C)nc([NH3+])nc2n(C)c1=O,Cc1nc2c(OC(C)C)[nH+]c(N)[nH+]c2n(C)c1=O,Cc1[nH+]c2c(OC(C)C)[nH+]c(N)nc2n(C)c1=O	Cc1[nH+]c2c(OC(C)C)nc(N)nc2n(C)c1=O,Cc1nc2c(OC(C)C)nc([NH3+])nc2n(C)c1=O,Cc1nc2c(OC(C)C)nc(N)[nH+]c2n(C)c1=O,Cc1nc2c(OC(C)C)[nH+]c(N)nc2n(C)c1=O	mol8060	Cc1nc2c(OC(C)C)nc(N)nc2n(C)c1=O