pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	Baltruschat ChEMBL	1	0	CO/N=C(\C#N)[C@H]1C[NH+]2CCC1CC2	CO/N=C(\C#N)[C@H]1CN2CCC1CC2	mol18861	CO/N=C(\C#N)C1CN2CCC1CC2