pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	OCHEM	1	0	COc1cncc(-c2nccc(-c3cc4c([nH]3)[C@]3(CCC[NH2+]C3)CNC4=O)n2)c1,COc1c[nH+]cc(-c2nccc(-c3cc4c([nH]3)[C@]3(CCCNC3)CNC4=O)n2)c1	COc1cncc(-c2nccc(-c3cc4c([nH]3)[C@]3(CCCNC3)CNC4=O)n2)c1	mol17846	COc1cncc(-c2nccc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)n2)c1