pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.63	Baltruschat ChEMBL	1	0	O=C(NCC1CCOCC1)c1cnc([NH2+]c2ccc(Cl)cc2Cl)cc1C(F)(F)F,O=C(NCC1CCOCC1)c1c[nH+]c(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F	O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F	mol18372	O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F