pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.65	Novartis	1	0	COc1ccc2[nH]cc(CN3CCCC4(CC[NH+](c5nc(C)cc(C)n5)CC4)C3=O)c2c1,COc1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)[nH+]5)CC4)C3=O)c2c1	COc1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1	mol2865	COc1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1