pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	OCHEM	1	0	COc1ccc(CCNc2[nH+]cc(C)n(CC(=O)NCc3ccc4[nH]cnc4c3)c2=O)cc1,COc1ccc(CC[NH2+]c2ncc(C)n(CC(=O)NCc3ccc4[nH]cnc4c3)c2=O)cc1,COc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]c[nH+]c4c3)c2=O)cc1	COc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]cnc4c3)c2=O)cc1	mol18787	COc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]cnc4c3)c2=O)cc1