pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.78	Baltruschat ChEMBL	1	0	CCC[NH+]1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	mol19352	CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21