pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.71	IUPAC digitized pKa	1	0	CC1=Nc2nc(C)c(C)[nH+]c2[C@@](C)(O)N1,CC1=[NH+]c2nc(C)c(C)nc2[C@@](C)(O)N1,CC1=Nc2[nH+]c(C)c(C)nc2[C@@](C)(O)N1	CC1=Nc2nc(C)c(C)nc2[C@@](C)(O)N1	mol8153	CC1=Nc2nc(C)c(C)nc2C(C)(O)N1