pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	AttenGpKa training set	0	-1	C/C(=[NH+]\Cc1c(CO)cnc(C)c1O)C(=O)[O-],C/C(=N\Cc1c(CO)c[nH+]c(C)c1O)C(=O)[O-]	C/C(=N\Cc1c(CO)cnc(C)c1O)C(=O)[O-]	mol29638	C/C(=N\Cc1c(CO)cnc(C)c1O)C(=O)O
10.3	AttenGpKa training set	-1	-2	C/C(=N\Cc1c(CO)cnc(C)c1O)C(=O)[O-]	C/C(=N\Cc1c(CO)cnc(C)c1[O-])C(=O)[O-]	mol29638	C/C(=N\Cc1c(CO)cnc(C)c1O)C(=O)O