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Home » DataWarrior » Cheminformatics » Where do pKa values in pKaInWater.dwar come from ? (pKa Values)

Sun, 24 March 2019 22:42

thomas
Messages: 715
Registered: June 2014

Senior Member

you can open the dataset in DataWarrior and may generate SMILES, export as SD-File or as text file containing the SMILES, if you want.

		Where do pKa values in pKaInWater.dwar come from ? By: DrFunkenstein on Wed, 17 May 2017 17:42
		Re: Where do pKa values in pKaInWater.dwar come from ? By: thomas on Sun, 28 May 2017 00:30
		Re: Where do pKa values in pKaInWater.dwar come from ? By: chem95 on Tue, 19 March 2019 18:49
		Re: Where do pKa values in pKaInWater.dwar come from ? By: thomas on Wed, 20 March 2019 23:14
		Re: Where do pKa values in pKaInWater.dwar come from ? By: chem95 on Thu, 21 March 2019 22:28
		Re: Where do pKa values in pKaInWater.dwar come from ? By: thomas on Sun, 24 March 2019 22:42

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