pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	Baltruschat ChEMBL	1	0	C[NH+](C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1	CN(C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1	mol20527	CN(C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1
7.19999980926514	QSARToolbox	1	0	C[NH+](C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1	CN(C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1	mol20527	CN(C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1