pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.4	Baltruschat ChEMBL	0	-1	NC1=[NH+]C[C@H](C(=O)[O-])CC1	NC1=NC[C@H](C(=O)[O-])CC1	mol18745	NC1=NCC(C(=O)O)CC1