pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1cc[nH+]c1	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1	mol21846	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1