pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.25	Datawarrior	1	0	N[NH2+]CCc1ccccc1,[NH3+]NCCc1ccccc1	NNCCc1ccccc1	mol12956	NNCCc1ccccc1
7.66	OCHEM	1	0	N[NH2+]CCc1ccccc1,[NH3+]NCCc1ccccc1	NNCCc1ccccc1	mol12956	NNCCc1ccccc1
7.24	AttenGpKa training set	1	0	N[NH2+]CCc1ccccc1,[NH3+]NCCc1ccccc1	NNCCc1ccccc1	mol12956	NNCCc1ccccc1