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Re: SMILES Code [message #2019 is a reply to message #2018]

Thu, 21 September 2023 04:06

Anne
Messages: 4
Registered: September 2023

Junior Member

Thank you so so much for your reply. I have sent the examples to you. Sorry that I spend some time to make this clear.

While I use “paste special” to transform the data from EXCEL, the SMILES code transform to each corresponding structure successfully without message.

While I try to add a whole new structure to the DataWarrior after the paste special step, countless messages will pop out. I need to correct my previous report. Regardless of the stereochemistry, the unexpected message will show. “CC(=O)C” also has the same outcome.

When I paste the “O[C@H]1[C@H](O)[C@@H](CO)OC=C1” to different conditions, different situations will show.

Please feel free to let me know any idea from you. I can try.

[Updated on: Thu, 21 September 2023 09:56]

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[Message index]

		SMILES Code By: Anne on Tue, 12 September 2023 09:27
		Re: SMILES Code By: thomas on Wed, 13 September 2023 17:53
		Re: SMILES Code By: Anne on Mon, 18 September 2023 10:55
		Re: SMILES Code By: thomas on Tue, 19 September 2023 23:01
		Re: SMILES Code By: thomas on Wed, 20 September 2023 13:03
		Re: SMILES Code By: Anne on Thu, 21 September 2023 04:06
		Re: SMILES Code By: thomas on Fri, 22 September 2023 11:43
		Re: SMILES Code By: Anne on Mon, 25 September 2023 07:22

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