pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	OCHEM	1	0	COc1ccc(Nc2[nH+]c(Cl)cn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1,COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)[nH+]1,COc1ccc([NH2+]c2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1	COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1	mol32225	COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1