pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.12	Datawarrior	0	-1	COc1c(Cl)cc(Cl)c([O-])c1C(=O)NC1CC[NH+](C)CC1	COc1c(Cl)cc(Cl)c([O-])c1C(=O)NC1CCN(C)CC1	mol15392	COc1c(Cl)cc(Cl)c(O)c1C(=O)NC1CCN(C)CC1
9.1199999	OCHEM	0	-1	COc1c(Cl)cc(Cl)c([O-])c1C(=O)NC1CC[NH+](C)CC1	COc1c(Cl)cc(Cl)c([O-])c1C(=O)NC1CCN(C)CC1	mol15392	COc1c(Cl)cc(Cl)c(O)c1C(=O)NC1CCN(C)CC1
6.02	Datawarrior	1	0	COc1c(Cl)cc(Cl)c(O)c1C(=O)NC1CC[NH+](C)CC1	COc1c(Cl)cc(Cl)c([O-])c1C(=O)NC1CC[NH+](C)CC1	mol15392	COc1c(Cl)cc(Cl)c(O)c1C(=O)NC1CCN(C)CC1