pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.95	AttenGpKa training set	1	0	C[NH+]1CCC(=C2c3ccccc3CCc3sccc32)CC1	CN1CCC(=C2c3ccccc3CCc3sccc32)CC1	mol29792	CN1CCC(=C2c3ccccc3CCc3sccc32)CC1