pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.539	OCHEM	1	0	Cc1ccc(C)c(N2CC[NH+](C3CCCCCC3)CC2)c1	Cc1ccc(C)c(N2CCN(C3CCCCCC3)CC2)c1	mol398	Cc1ccc(C)c(N2CCN(C3CCCCCC3)CC2)c1
7.54	AvLiLuMoVe	1	0	Cc1ccc(C)c(N2CC[NH+](C3CCCCCC3)CC2)c1	Cc1ccc(C)c(N2CCN(C3CCCCCC3)CC2)c1	mol398	Cc1ccc(C)c(N2CCN(C3CCCCCC3)CC2)c1