pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.37	Baltruschat ChEMBL	0	-1	COc1cc(N[C@H](C)CCCNC(=O)OCC(F)(F)F)c2ncccc2c1	COc1cc(N[C@H](C)CCC[N-]C(=O)OCC(F)(F)F)c2ncccc2c1	mol16734	COc1cc(NC(C)CCCNC(=O)OCC(F)(F)F)c2ncccc2c1