pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.68	OCHEM	1	0	C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)[NH+]1CCCCC1	C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)N1CCCCC1	mol1852	C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)N1CCCCC1