pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	AttenGpKa training set	1	0	N#Cc1ccc2nc3ccccc3c([NH3+])c2c1,N#Cc1ccc2[nH+]c3ccccc3c(N)c2c1	N#Cc1ccc2nc3ccccc3c(N)c2c1	mol26646	N#Cc1ccc2nc3ccccc3c(N)c2c1