pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	0	-1	COC(=O)[C@H](NC(=O)Cc1ccccc1)[C@H]1SC(C)(C)[C@H]2C(=O)NC(=S)N12	COC(=O)[C@H]([N-]C(=O)Cc1ccccc1)[C@H]1SC(C)(C)[C@H]2C(=O)NC(=S)N12,COC(=O)[C@H](NC(=O)Cc1ccccc1)[C@H]1SC(C)(C)[C@H]2C(=O)[N-]C(=S)N12,COC(=O)[C@H](NC(=O)[CH-]c1ccccc1)[C@H]1SC(C)(C)[C@H]2C(=O)NC(=S)N12	mol32364	COC(=O)C(NC(=O)Cc1ccccc1)C1SC(C)(C)C2C(=O)NC(=S)N12