If the information is non controversial and obvious then no source need to be quoted If you run a program like Marvin Sketch and input data to get a result and publish it then you are the source WP CALC is the link to the bit about what you can get away with calculating I think there is sufficient chance of error or selecting the wrong input that SystematicName and StdInChIKey should be referenced to something You could use the general citation template to cite a program output ps UH4 box is still not fixed This is an example of a systematic name where OR has missed the mark