pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	OCHEM	1	0	COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CC[NH+](C)CC1,COc1cc2ncnc([NH2+]c3cc(Cl)ccc3F)c2cc1OCC1CCN(C)CC1	COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CCN(C)CC1	mol19667	COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CCN(C)CC1