pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.57	AttenGpKa training set	1	0	[NH3+]c1cc2cccnc2c2ncccc12,Nc1cc2cccnc2c2[nH+]cccc12,Nc1cc2ccc[nH+]c2c2ncccc12	Nc1cc2cccnc2c2ncccc12	mol26598	Nc1cc2cccnc2c2ncccc12