pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.47	AttenGpKa training set	2	1	CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc([NH3+])cc21,CC[n+]1c(-c2ccccc2)c2cc([NH3+])ccc2c2ccc(N)cc21	CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21	mol29841	CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21