pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.11	AttenGpKa training set	1	0	CNCCc1[nH]c2cc(C)ccc2[nH+]1,C[NH2+]CCc1nc2ccc(C)cc2[nH]1	CNCCc1nc2ccc(C)cc2[nH]1	mol26483	CNCCc1nc2ccc(C)cc2[nH]1