pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	AttenGpKa training set	1	0	CN(C)c1cccc2c1-c1c(cccc1[NH+](C)C)COC2	CN(C)c1cccc2c1-c1c(cccc1N(C)C)COC2	mol24133	CN(C)c1cccc2c1-c1c(cccc1N(C)C)COC2