pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.56	Datawarrior	1	0	CN(C)C1CC(C)(C)[NH2+]C(C)(C)C1,C[NH+](C)C1CC(C)(C)NC(C)(C)C1	CN(C)C1CC(C)(C)NC(C)(C)C1	mol13870	CN(C)C1CC(C)(C)NC(C)(C)C1
7.67	Datawarrior	2	1	C[NH+](C)C1CC(C)(C)[NH2+]C(C)(C)C1	CN(C)C1CC(C)(C)[NH2+]C(C)(C)C1,C[NH+](C)C1CC(C)(C)NC(C)(C)C1	mol13870	CN(C)C1CC(C)(C)NC(C)(C)C1
7.67000007629395	QSARToolbox	2	1	C[NH+](C)C1CC(C)(C)[NH2+]C(C)(C)C1	CN(C)C1CC(C)(C)[NH2+]C(C)(C)C1,C[NH+](C)C1CC(C)(C)NC(C)(C)C1	mol13870	CN(C)C1CC(C)(C)NC(C)(C)C1