pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.81	Baltruschat ChEMBL	1	0	C[C@]12[NH2+][C@H](Cc3ccccc31)c1ccccc12	C[C@]12N[C@H](Cc3ccccc31)c1ccccc12	mol17628	C[C@]12N[C@H](Cc3ccccc31)c1ccccc12