pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	OCHEM	0	-1	CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1	CC1(COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)CCCCC1	mol32039	CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1