pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	OCHEM	1	0	C[C@]1(c2cc(NC(=O)c3c[nH+]c(Cl)cn3)ccc2F)N=C(N)CO[C@]1(F)C(F)(F)F,C[C@]1(c2cc(NC(=O)c3cnc(Cl)c[nH+]3)ccc2F)N=C(N)CO[C@]1(F)C(F)(F)F,C[C@]1(c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)[NH+]=C(N)CO[C@]1(F)C(F)(F)F	C[C@]1(c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)N=C(N)CO[C@]1(F)C(F)(F)F	mol19813	C[C@]1(c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)N=C(N)CO[C@]1(F)C(F)(F)F