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• • Re: [Cdk-user] CDK Release 2.1 John Mayfield
  • Re: [Cdk-user] CDK Release 2.1 John Mayfield
• [Cdk-user] Reg: Editing linear Chain alkane (Heptane) Vinothkumar Mohanakrishnan
  • Re: [Cdk-user] Reg: Editing linear Chain alkane (Heptane) John Mayfield
  • Re: [Cdk-user] Reg: Editing linear Chain alkane (Heptane) Vinothkumar Mohanakrishnan
  • Re: [Cdk-user] Reg: Editing linear Chain alkane (Heptane) John Mayfield
  • Re: [Cdk-user] Reg: Editing linear Chain alkane (Heptane) Vinothkumar Mohanakrishnan
  • Re: [Cdk-user] Reg: Editing linear Chain alkane (Heptane) John Mayfield
• [Cdk-user] It is possible to set timeout in search? Charo L . Rodríguez
  • Re: [Cdk-user] It is possible to set timeout in search? John Mayfield
• [Cdk-user] CDK Depict is Moving John Mayfield
• [Cdk-user] initial Java9 observations Egon Willighagen
• [Cdk-user] Request for comment: AtomContainer2 John Mayfield
• [Cdk-user] CDK v2.0 Talk John Mayfield
• [Cdk-user] Last call: Blue Obelisk Dinner at ACS Meeting Washington August 2017 Christoph Steinbeck
• [Cdk-user] ungraceful fail of MDE descriptor for long alkyl chains Andrei Kazakov
  • Re: [Cdk-user] ungraceful fail of MDE descriptor for long alkyl chains John Mayfield
  • Re: [Cdk-user] ungraceful fail of MDE descriptor for long alkyl chains John Mayfield
• [Cdk-user] Doodle Poll for Blue Obelisk Dinner at ACS Meeting Washington August 2017 Christoph Steinbeck
• [Cdk-user] Blue Obelisk Dinner in Washington? Christoph Steinbeck
  • Re: [Cdk-user] Blue Obelisk Dinner in Washington? Rajarshi Guha
  • Re: [Cdk-user] [BlueObelisk-discuss] Blue Obelisk Dinner in Washington? Noel O'Boyle
• [Cdk-user] Bug in IteratingSDFReader in 2.0 cdk? Staffan Arvidsson
  • Re: [Cdk-user] Bug in IteratingSDFReader in 2.0 cdk? John Mayfield
  • Re: [Cdk-user] Bug in IteratingSDFReader in 2.0 cdk? John Mayfield
  • Re: [Cdk-user] Bug in IteratingSDFReader in 2.0 cdk? Staffan Arvidsson
• [Cdk-user] Atom Signatures with stereo-info Staffan Arvidsson
  • Re: [Cdk-user] Atom Signatures with stereo-info Egon Willighagen
  • Re: [Cdk-user] Atom Signatures with stereo-info John Mayfield
  • Re: [Cdk-user] Atom Signatures with stereo-info Staffan Arvidsson
  • Re: [Cdk-user] Atom Signatures with stereo-info Christoph Steinbeck
  • Re: [Cdk-user] Atom Signatures with stereo-info John Mayfield
  • Re: [Cdk-user] Atom Signatures with stereo-info John Mayfield
  • Re: [Cdk-user] Atom Signatures with stereo-info Staffan Arvidsson
  • Re: [Cdk-user] Atom Signatures with stereo-info John Mayfield
  • Re: [Cdk-user] Atom Signatures with stereo-info Marwin Segler
• [Cdk-user] NCDK .NET Port of CDK John Mayfield
• [Cdk-user] Computing the LogD Yannick .Djoumbou
  • Re: [Cdk-user] Computing the LogD David Hall via Cdk-user
  • Re: [Cdk-user] Computing the LogD Yannick .Djoumbou
  • Re: [Cdk-user] Computing the LogD Egon Willighagen
  • Re: [Cdk-user] Computing the LogD Yannick .Djoumbou
• [Cdk-user] Open positions Karsten Klein
• [Cdk-user] Title line for MDL formats Tim Dudgeon
  • Re: [Cdk-user] Title line for MDL formats Egon Willighagen
  • Re: [Cdk-user] Title line for MDL formats Tim Dudgeon
  • Re: [Cdk-user] Title line for MDL formats John Mayfield
  • Re: [Cdk-user] Title line for MDL formats John Mayfield
  • Re: [Cdk-user] Title line for MDL formats Tim Dudgeon
  • Re: [Cdk-user] Title line for MDL formats John Mayfield
  • Re: [Cdk-user] Title line for MDL formats John Mayfield
  • Re: [Cdk-user] Title line for MDL formats Tim Dudgeon
• [Cdk-user] CDK 2.0 Release John Mayfield
• [Cdk-user] Third CDK paper is out Egon Willighagen
  • Re: [Cdk-user] Third CDK paper is out Rajarshi Guha
  • Re: [Cdk-user] Third CDK paper is out Christoph Steinbeck
  • Re: [Cdk-user] Third CDK paper is out Thierry Hanser
• [Cdk-user] CDK - issue with stereochemistry Yannick .Djoumbou
  • Re: [Cdk-user] CDK - issue with stereochemistry John Mayfield
  • Re: [Cdk-user] CDK - issue with stereochemistry Yannick .Djoumbou
  • Re: [Cdk-user] CDK - issue with stereochemistry John Mayfield
  • Re: [Cdk-user] CDK - issue with stereochemistry Yannick .Djoumbou
  • Re: [Cdk-user] CDK - issue with stereochemistry John Mayfield
  • Re: [Cdk-user] CDK - issue with stereochemistry John Mayfield
  • Re: [Cdk-user] CDK - issue with stereochemistry Yannick .Djoumbou
  • Re: [Cdk-user] CDK - issue with stereochemistry John Mayfield
• [Cdk-user] Maven Artifact Overview Till Schäfer
  • Re: [Cdk-user] Maven Artifact Overview John Mayfield
  • Re: [Cdk-user] Maven Artifact Overview Till Schäfer
  • Re: [Cdk-user] Maven Artifact Overview John Mayfield
• [Cdk-user] Reaction depiction and converting a reaction to SMILES format Rajesh C
• [Cdk-user] CDK 1.5.15 John Mayfield
• [Cdk-user] n way-bonds John Mayfield
  • Re: [Cdk-user] n way-bonds Egon Willighagen
  • Re: [Cdk-user] n way-bonds John Mayfield
  • Re: [Cdk-user] n way-bonds John Mayfield
  • Re: [Cdk-user] n way-bonds Egon Willighagen
  • Re: [Cdk-user] n way-bonds gilleain torrance
  • Re: [Cdk-user] n way-bonds John Mayfield
• Re: [Cdk-user] Strange behaviour of AtomContainer.getConnectedAtomsList() Nikolas Glaser
  • Re: [Cdk-user] Strange behaviour of AtomContainer.getConnectedAtomsList() John Mayfield
  • Re: [Cdk-user] Strange behaviour of AtomContainer.getConnectedAtomsList() John Mayfield
  • Re: [Cdk-user] Strange behaviour of AtomContainer.getConnectedAtomsList() Nikolas Glaser
  • Re: [Cdk-user] Strange behaviour of AtomContainer.getConnectedAtomsList() Nikolas Glaser
  • Re: [Cdk-user] Strange behaviour of AtomContainer.getConnectedAtomsList() John Mayfield
• [Cdk-user] Request for Comment: AtomContainerRef John Mayfield
• [Cdk-user] Draw IAtomContainer with AtomNumbers Nikolas Glaser
  • Re: [Cdk-user] Draw IAtomContainer with AtomNumbers Nikolas Glaser
  • Re: [Cdk-user] Draw IAtomContainer with AtomNumbers John Mayfield
• [Cdk-user] General Question to method getAtomNumber(IAtom atom) of IAtomContainer Nikolas Glaser
  • Re: [Cdk-user] General Question to method getAtomNumber(IAtom atom) of IAtomContainer John Mayfield
  • Re: [Cdk-user] General Question to method getAtomNumber(IAtom atom) of IAtomContainer John Mayfield
  • Re: [Cdk-user] General Question to method getAtomNumber(IAtom atom) of IAtomContainer Nikolas Glaser
• [Cdk-user] Detect Position of Fragment in complete Molecule Nikolas Glaser
  • Re: [Cdk-user] Detect Position of Fragment in complete Molecule Christoph Steinbeck
  • Re: [Cdk-user] Detect Position of Fragment in complete Molecule Nikolas Glaser
  • Re: [Cdk-user] Detect Position of Fragment in complete Molecule John Mayfield
• Re: [Cdk-user] Questions about the CDK 1.5.14 (JDK 1.8.0_121, maven 3.3.9) and the source code of calculateBCUT.java John Mayfield
• [Cdk-user] Rendering 3D mols Tim Dudgeon
  • Re: [Cdk-user] Rendering 3D mols Egon Willighagen
  • Re: [Cdk-user] Rendering 3D mols Tim Dudgeon
  • Re: [Cdk-user] Rendering 3D mols Egon Willighagen
• [Cdk-user] Reaction subscripts in a Sanpshot and CDK Properties Rajesh C
• [Cdk-user] 'neutralizing' a molecule Rajarshi Guha
  • Re: [Cdk-user] 'neutralizing' a molecule Egon Willighagen
  • Re: [Cdk-user] 'neutralizing' a molecule John Mayfield
  • Re: [Cdk-user] 'neutralizing' a molecule Rajarshi Guha
  • Re: [Cdk-user] 'neutralizing' a molecule John Mayfield
  • Re: [Cdk-user] 'neutralizing' a molecule Egon Willighagen
  • Re: [Cdk-user] 'neutralizing' a molecule John Mayfield
• Re: [Cdk-user] [Cdk-devel] org.openscience.smsd.algorithm.rgraph.CDKSubGraphHandler John Mayfield
• [Cdk-user] Writing V3000 format Tim Dudgeon
  • Re: [Cdk-user] Writing V3000 format John Mayfield
  • Re: [Cdk-user] Writing V3000 format Tim Dudgeon
• Re: [Cdk-user] Cdk-user Digest, Vol 124, Issue 10 Rajesh C
  • Re: [Cdk-user] Cdk-user Digest, Vol 124, Issue 10 Rajesh C
• [Cdk-user] Storing structure as an image with text elements Rajesh C
• [Cdk-user] MurckoFragmenter infinity loop Nikolas Glaser
  • Re: [Cdk-user] MurckoFragmenter infinity loop John Mayfield
• [Cdk-user] Unexpected result with MurckoFragmenter Nikolas Glaser
  • Re: [Cdk-user] Unexpected result with MurckoFragmenter Rajarshi Guha
  • Re: [Cdk-user] Unexpected result with MurckoFragmenter Nikolas Glaser
  • Re: [Cdk-user] Unexpected result with MurckoFragmenter Nikolas Glaser
  • Re: [Cdk-user] Unexpected result with MurckoFragmenter Rajarshi Guha
  • Re: [Cdk-user] Unexpected result with MurckoFragmenter Rajarshi Guha
  • Re: [Cdk-user] Unexpected result with MurckoFragmenter Nikolas Glaser
  • Re: [Cdk-user] Unexpected result with MurckoFragmenter Nikolas Glaser
• [Cdk-user] Count fragment in molecule Nikolas Glaser
  • Re: [Cdk-user] Count fragment in molecule John Mayfield
  • Re: [Cdk-user] Count fragment in molecule Nikolas Glaser
  • Re: [Cdk-user] Count fragment in molecule John Mayfield
• [Cdk-user] Free QSAR service powered by the CDK Martin Gütlein
  • Re: [Cdk-user] Free QSAR service powered by the CDK John M
  • Re: [Cdk-user] Free QSAR service powered by the CDK John M
  • Re: [Cdk-user] Free QSAR service powered by the CDK Martin Gütlein
  • Re: [Cdk-user] Free QSAR service powered by the CDK John M
  • Re: [Cdk-user] Free QSAR service powered by the CDK Rajarshi Guha
  • Re: [Cdk-user] Free QSAR service powered by the CDK Martin Gütlein
  • Re: [Cdk-user] Free QSAR service powered by the CDK Egon Willighagen
  • Re: [Cdk-user] Free QSAR service powered by the CDK Rajarshi Guha
• [Cdk-user] mailing list, issues, and website (was: Your submission to Journal of Cheminformatics - CHIN-D-16-00104) Egon Willighagen
  • Re: [Cdk-user] mailing list, issues, and website (was: Your submission to Journal of Cheminformatics - CHIN-D-16-00104) Rajarshi Guha
  • Re: [Cdk-user] mailing list, issues, and website (was: Your submission to Journal of Cheminformatics - CHIN-D-16-00104) John M
  • Re: [Cdk-user] mailing list, issues, and website (was: Your submission to Journal of Cheminformatics - CHIN-D-16-00104) Evelo Chris (BIGCAT)
• [Cdk-user] Get chain between ringsystems Nikolas Glaser
  • Re: [Cdk-user] Get chain between ringsystems John M
  • Re: [Cdk-user] Get chain between ringsystems Nikolas Glaser
  • Re: [Cdk-user] Get chain between ringsystems Christoph Steinbeck
• [Cdk-user] (no subject) Nikolas Glaser
• [Cdk-user] Merge molecules Tim Dudgeon
  • Re: [Cdk-user] Merge molecules John M
  • Re: [Cdk-user] Merge molecules Tim Dudgeon
  • Re: [Cdk-user] Merge molecules Tim Dudgeon
  • Re: [Cdk-user] Merge molecules John M
  • Re: [Cdk-user] Merge molecules John M
• [Cdk-user] molecule fragments Tim Dudgeon
  • Re: [Cdk-user] molecule fragments John M
  • Re: [Cdk-user] molecule fragments Tim Dudgeon
  • Re: [Cdk-user] molecule fragments Tim Dudgeon
• [Cdk-user] suppress (implicit) hydrogens - but retain those with stereo info Martin Gütlein
  • Re: [Cdk-user] suppress (implicit) hydrogens - but retain those with stereo info Martin Gütlein
  • Re: [Cdk-user] suppress (implicit) hydrogens - but retain those with stereo info Dr . Martin Gütlein
  • Re: [Cdk-user] suppress (implicit) hydrogens - but retain those with stereo info John M
• [Cdk-user] CDK v1.5.15 and v2.0-SNAPSHOT Egon Willighagen
• [Cdk-user] CDK 1.5.14 Release John M
  • Re: [Cdk-user] CDK 1.5.14 Release Christoph Steinbeck
• [Cdk-user] InChI with \KET and \15T options from JAVA Antoni Valencia
  • Re: [Cdk-user] InChI with \KET and \15T options from JAVA John M
  • Re: [Cdk-user] InChI with \KET and \15T options from JAVA John M
  • Re: [Cdk-user] InChI with \KET and \15T options from JAVA John M
• [Cdk-user] mapping atom numbers for fragments Tim Dudgeon
  • Re: [Cdk-user] mapping atom numbers for fragments Tim Dudgeon
• [Cdk-user] Old versions from Maven? Tim Dudgeon
  • Re: [Cdk-user] Old versions from Maven? John M
  • Re: [Cdk-user] Old versions from Maven? John M
  • Re: [Cdk-user] Old versions from Maven? Nina Jeliazkova
  • Re: [Cdk-user] Old versions from Maven? Tim Dudgeon
• [Cdk-user] Possible Stereo Chemistry Rendering Bug Steve Roy
  • Re: [Cdk-user] Possible Stereo Chemistry Rendering Bug John M
• [Cdk-user] DepictionGenerator - unregistered IGenerator when in jar Staffan Arvidsson
  • Re: [Cdk-user] DepictionGenerator - unregistered IGenerator when in jar John M
  • Re: [Cdk-user] DepictionGenerator - unregistered IGenerator when in jar Staffan Arvidsson
  • Re: [Cdk-user] DepictionGenerator - unregistered IGenerator when in jar John M
  • Re: [Cdk-user] DepictionGenerator - unregistered IGenerator when in jar Staffan Arvidsson
  • Re: [Cdk-user] DepictionGenerator - unregistered IGenerator when in jar John M
  • Re: [Cdk-user] DepictionGenerator - unregistered IGenerator when in jar John M
• [Cdk-user] wedge bonds from SMILES? Egon Willighagen
• [Cdk-user] Complex Molecule Rendering Steve Roy
  • Re: [Cdk-user] Complex Molecule Rendering Egon Willighagen
  • Re: [Cdk-user] Complex Molecule Rendering John M
• [Cdk-user] Project Versioning John M
  • Re: [Cdk-user] Project Versioning Jonathan Cardoso
  • Re: [Cdk-user] Project Versioning Rajarshi Guha
  • Re: [Cdk-user] Project Versioning Emilio Xavier Esposito
• Re: [Cdk-user] [Cdk-devel] CDK III paper: software using CDK 1.4 or 1.5? jay patel
  • Re: [Cdk-user] [Cdk-devel] CDK III paper: software using CDK 1.4 or 1.5? Martin, Todd
  • Re: [Cdk-user] [Cdk-devel] CDK III paper: software using CDK 1.4 or 1.5? Egon Willighagen
• Re: [Cdk-user] CDK III paper: software using CDK 1.4 or 1.5? Sulev Sild
  • Re: [Cdk-user] CDK III paper: software using CDK 1.4 or 1.5? Till Schäfer
  • Re: [Cdk-user] CDK III paper: software using CDK 1.4 or 1.5? Till Schäfer

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