pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.11	Datawarrior	1	0	CC(C)(C)[NH2+]CCO	CC(C)(C)NCCO	mol12502	CC(C)(C)NCCO
9.27999973297119	QSARToolbox	1	0	CC(C)(C)[NH2+]CCO	CC(C)(C)NCCO	mol12502	CC(C)(C)NCCO