pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84	Baltruschat ChEMBL	1	0	C[NH+](C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21	CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21	mol16582	CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21