pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.49	Baltruschat ChEMBL	0	-1	[NH3+]C1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	NC1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	mol16432	NC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1