pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.72	AttenGpKa training set	1	0	N#Cc1ccccc1CN1CC[NH+](CCO)CC1,N#Cc1ccccc1C[NH+]1CCN(CCO)CC1	N#Cc1ccccc1CN1CCN(CCO)CC1	mol29651	N#Cc1ccccc1CN1CCN(CCO)CC1