pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	Baltruschat ChEMBL	0	-1	C[NH2+]C1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	CNC1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	mol16427	CNC1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1
6.47	Baltruschat ChEMBL	1	0	C[NH2+]C1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1,CNC1(C)C[NH+](c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1	C[NH2+]C1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	mol16427	CNC1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1