pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	AttenGpKa training set	1	0	COc1ccc2c(N)c3ccccc3[nH+]c2c1,COc1ccc2c([NH3+])c3ccccc3nc2c1	COc1ccc2c(N)c3ccccc3nc2c1	mol26661	COc1ccc2c(N)c3ccccc3nc2c1