pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Datawarrior	0	-1	N#C[C@H]1C(=O)Cc2ccccc21	N#C[C@H]1C(=O)[CH-]c2ccccc21,N#C[C-]1C(=O)Cc2ccccc21	mol12829	N#CC1C(=O)Cc2ccccc21
4.8000002	OCHEM	0	-1	N#C[C@H]1C(=O)Cc2ccccc21	N#C[C@H]1C(=O)[CH-]c2ccccc21,N#C[C-]1C(=O)Cc2ccccc21	mol12829	N#CC1C(=O)Cc2ccccc21