pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.38	Baltruschat ChEMBL	0	-1	CC1([NH3+])CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	CC1(N)CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	mol16423	CC1(N)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1
8.21	Baltruschat ChEMBL	0	-1	CC1([NH3+])CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	CC1(N)CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	mol16423	CC1(N)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1