pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.92	OCHEM	1	0	CC(C)[NH+](CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C	CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C	mol32918	CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C