pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.61	OCHEM	1	0	C[NH+](C)CCO[C@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C	CN(C)CCO[C@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C	mol32170	CN(C)CCO[C@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C