pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	AttenGpKa training set	0	-1	Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O	Cn1c(=O)c2[n-]c(Cl)nc2n(C)c1=O	mol29592	Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
8.2	AttenGpKa training set	0	-1	Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O	Cn1c(=O)c2[n-]c(Cl)nc2n(C)c1=O	mol29592	Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O