pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	Datawarrior	1	0	C=CC[C@@](C)(C[NH+](CC)CC)OC(C)=O	C=CC[C@@](C)(CN(CC)CC)OC(C)=O	mol14282	C=CCC(C)(CN(CC)CC)OC(C)=O
9.8500004	OCHEM	1	0	C=CC[C@@](C)(C[NH+](CC)CC)OC(C)=O	C=CC[C@@](C)(CN(CC)CC)OC(C)=O	mol14282	C=CCC(C)(CN(CC)CC)OC(C)=O
9.85000038146973	QSARToolbox	1	0	C=CC[C@@](C)(C[NH+](CC)CC)OC(C)=O	C=CC[C@@](C)(CN(CC)CC)OC(C)=O	mol14282	C=CCC(C)(CN(CC)CC)OC(C)=O