pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	AttenGpKa training set	2	1	Cc1cc(/[NH+]=[NH+]/c2ccccc2C)ccc1N	Cc1cc(/N=[NH+]/c2ccccc2C)ccc1N,Cc1cc(/N=N/c2ccccc2C)ccc1[NH3+]	mol23954	Cc1cc(/N=N/c2ccccc2C)ccc1N