pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	OCHEM	1	0	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCOCC1	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	mol19659	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
5.5	Baltruschat ChEMBL	2	1	COc1cc2ncnc([NH2+]c3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCOCC1,COc1cc2[nH+]cnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCOCC1,COc1cc2nc[nH+]c(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCOCC1	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCOCC1	mol19659	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1