How to distinguish between the same structure?

User a83cdfbe8a

13-12-2010 09:48:43

Hi,I have a problem,When I insert structure into database,has a information told me that “Structure already exists”,as the following file,the structure1.mrv already in database, when I insert structure2 into database,throw a exception。I want to know that ”How to distinguish between the same structure“?


Thanks!

ChemAxon 42004978e8

14-12-2010 20:48:56

 Hi,


The two molecules differ in their agents. THe problem is that in these files the agents were specified in text boxes which aren't considered during searching.


However you can draw these agents in a way that they are considered. To do this the agents have to be drawn above or below the arrow. You agents seem to be specific names structures, for which pseudo atoms can be created.


The modified structures which aren't considered as duplicates anymore are attached.


Regards,


Robert