pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	Baltruschat ChEMBL	1	0	COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)C[NH+](CC2CCOCC2)CC4)cc1	COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4)cc1	mol16097	COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4)cc1