手性药物数据库(免费)
    六百多种商用手性药物，涵盖了528种全合成手性药物的大部分和一部分半合成手性药物，其中已拆分的药物四百多种。数据库提供了详细的拆分方法和拆分条件,并配以结构式、分子式、分子量、结构谱图及药物主要作用，以及尽可能多的其它药物信息，可为药物手性分析研究及手性药品检测提供颇具价值的参考依据。

Atomic Line List (原子吸收、发射性能数据)(免费)
This is a compilation of approximately 923,000 allowed, intercombination and forbidden atomic transitions with wavelengths in the range from 0.5 ? to 1000 μm. Its primary intention is to allow the identification of observed atomic absorption or emission features. The wavelengths in this list are all calculated from the difference between the energy of the upper and lower level of the transition. No attempt has been made to include observed wavelengths. Most of the atomic energy level data have been taken from the Atomic Spectra Database provided by the National Institute of Standards and Technology (NIST).

NIST的Chemistry WebBook
美国国家标准与技术研究院基于Web开发的物质数据库

有机化合物数据库

This 2483 compound database has been compiled by Harold M. Bell at Virginia Tech. Fill in the form below with as much information as you can. Leave the information blank if you dont know or you dont care. Click on the submit button to execute your search. You will receive at most 20 hits.

蛋白质数据库
查询大分子立体结构