pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	AttenGpKa training set	0	-1	O=C1CN2Cc3c(ccc(Cl)c3Cl)NC2=N1	O=C1CN2Cc3c(ccc(Cl)c3Cl)[N-]C2=N1	mol29670	O=C1CN2Cc3c(ccc(Cl)c3Cl)NC2=N1
2.87	AttenGpKa training set	1	0	O=C1CN2Cc3c(ccc(Cl)c3Cl)NC2=[NH+]1	O=C1CN2Cc3c(ccc(Cl)c3Cl)NC2=N1	mol29670	O=C1CN2Cc3c(ccc(Cl)c3Cl)NC2=N1