*2.2. Coformer Selection*

A search of the Cambridge Structural Database (CSD) [19] was conducted to identify complementary functional groups with the potential for molecular recognition with DIC. A virtual cocrystal screening was performed afterwards using COSMOQuick software [20] (COSMOlogic, Germany, Version 1.4), calculating the excess enthalpy (Hex) of mixing between DIC and selected coformers from an internal library.
