pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	OCHEM	1	0	COc1cc2c([NH2+]c3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CC[NH+](C)CC1	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	mol16841	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
9.4	Baltruschat ChEMBL	1	0	COc1cc2c([NH2+]c3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CC[NH+](C)CC1	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	mol16841	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1