pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8	Datawarrior	1	0	C=CC(C)(C)[NH2+]C(C)(C)CC	C=CC(C)(C)NC(C)(C)CC	mol1451	C=CC(C)(C)NC(C)(C)CC
10.8000001907349	QSARToolbox	1	0	C=CC(C)(C)[NH2+]C(C)(C)CC	C=CC(C)(C)NC(C)(C)CC	mol1451	C=CC(C)(C)NC(C)(C)CC