pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.68	OCHEM	1	0	Cc1nnc(-c2cccn(C[C@@H]3C[NH2+]CCO[C@H]3c3ccc(Cl)c(F)c3)c2=O)[nH]1	Cc1nnc(-c2cccn(C[C@@H]3CNCCO[C@H]3c3ccc(Cl)c(F)c3)c2=O)[nH]1	mol16367	Cc1nnc(-c2cccn(C[C@@H]3CNCCO[C@H]3c3ccc(Cl)c(F)c3)c2=O)[nH]1