pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.71	Datawarrior	1	0	C=CC[C@](C)(O)C[NH+](CC)CC	C=CC[C@](C)(O)CN(CC)CC	mol12892	C=CCC(C)(O)CN(CC)CC
9.71000003814697	QSARToolbox	1	0	C=CC[C@](C)(O)C[NH+](CC)CC	C=CC[C@](C)(O)CN(CC)CC	mol12892	C=CCC(C)(O)CN(CC)CC