Due to the lack of large-scale databases for pre-training conjugated molecular and bimolecular representations, we construct a conjugated molecular and bimolecular database that contains 10 million(M) level geometries and corresponding optoelectronic properties or transfer integrals at the tight-binding (TB) level. Our database includes 16 different elements (H, B, C, 5 N, O, F, Si, P, S, Cl, Br, I, Ir, Ge, Se, As) and three distinct types of conjugated molecules (metal-organic complexes, condensed hetero-polycyclic aromatic molecules, and fragmentassembly-based aromatic molecules), thereby covering a broad range of the chemical space of organic conjugated systems. We illustrate the construction process of the molecular and bimolecular database in Figure .