pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.75	AttenGpKa training set	0	-1	CCC1(CC)C(=O)NC[C@@H](C)C1=O	CCC1(CC)C(=O)NC[C-](C)C1=O,CCC1(CC)C(=O)[N-]C[C@@H](C)C1=O	mol29555	CCC1(CC)C(=O)NCC(C)C1=O