pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.8999996185303	QSARToolbox	1	0	C[N+](C)(C)CCO	C[N+](C)(C)CC[O-]	mol31098	C[N+](C)(C)CCO
13.9	AttenGpKa training set	1	0	C[N+](C)(C)CCO	C[N+](C)(C)CC[O-]	mol31098	C[N+](C)(C)CCO