pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.16	Datawarrior	1	0	COc1ccc(S(=O)(=O)NCC[NH+]2CCOCC2)c(OC)c1OC	COc1ccc(S(=O)(=O)NCCN2CCOCC2)c(OC)c1OC	mol14642	COc1ccc(S(=O)(=O)NCCN2CCOCC2)c(OC)c1OC
6.1599998	OCHEM	1	0	COc1ccc(S(=O)(=O)NCC[NH+]2CCOCC2)c(OC)c1OC	COc1ccc(S(=O)(=O)NCCN2CCOCC2)c(OC)c1OC	mol14642	COc1ccc(S(=O)(=O)NCCN2CCOCC2)c(OC)c1OC