pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Novartis	1	0	COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)[nH+]5)CC4)C3=O)c2c1,COC(=O)c1ccc2[nH]cc(CN3CCCC4(CC[NH+](c5nc(C)cc(C)n5)CC4)C3=O)c2c1	COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1	mol2839	COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1