pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	OCHEM	1	0	Cc1ccc(C)c(N2CC[NH+]([C@H]3[C@@H]4C[C@H]5C[C@@H](C4)C[C@@H]3C5)CC2)c1	Cc1ccc(C)c(N2CCN([C@H]3[C@@H]4C[C@H]5C[C@@H](C4)C[C@@H]3C5)CC2)c1	mol395	Cc1ccc(C)c(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1
