pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.19	OCHEM	1	0	COc1ccccc1[NH+]1CCN(CCCn2ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,COc1ccccc1N1CCN(CCCn2ccn3c4c(=O)n(C)c(=O)n(C)c4[nH+]c23)CC1,COc1ccccc1N1CC[NH+](CCCn2ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1	COc1ccccc1N1CCN(CCCn2ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1	mol19640	COc1ccccc1N1CCN(CCCn2ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1