pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.05	OCHEM	1	0	C[NH+](C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12	mol50	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12
7.12	OCHEM	1	0	C[NH+](C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12	mol50	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12
8.5	Baltruschat ChEMBL	1	0	C[NH+](C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12	mol50	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12