pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	OCHEM	0	-1	CCOC(=O)c1csc(NC(=O)CN2CCCCC2)n1	CCOC(=O)c1csc([N-]C(=O)CN2CCCCC2)n1	mol413	CCOC(=O)c1csc(NC(=O)CN2CCCCC2)n1
6.7	OCHEM	1	0	CCOC(=O)c1csc(NC(=O)C[NH+]2CCCCC2)n1	CCOC(=O)c1csc(NC(=O)CN2CCCCC2)n1	mol413	CCOC(=O)c1csc(NC(=O)CN2CCCCC2)n1