32cb97b71126ff378fc499f07a74dadb *CHANGELOG
2daf488253088ed0f96f00c1aaa509a4 *DESCRIPTION
663bbedfb16fa44c0beb82c11ca7515f *NAMESPACE
ceb270ce1616184ef3e475ff95bc5e28 *NEWS.md
3964303d9973256f767ef0ee7dc9b125 *R/atoms.R
5de980cf151c2aa732149da9b5cc7aee *R/bonds.R
be20672ff7b000ee111be34da1599dee *R/datasets.R
5ee2dddeebb1cc50e7ee5063fc44bbb2 *R/deprecated_functions.R
c8559acbc7187f736d59e043c90d187d *R/desc.R
75ab8ba5d717c16c9fdff18882c15f6f *R/fingerprint.R
91c542cb8ace5fadc3a0e87e2b6dd22a *R/formula.R
e270b6abe765efce9b8d8adaa42ec4ed *R/frags.R
f8d895bc46eb5df3f03e1d499f1139c3 *R/io.R
c1aed5072d8b86e1d08ab6ed76db8eb0 *R/matching.R
4e66efcef18105190cb31bf8a0c4d224 *R/matrix.R
f7e7710cee40b6f6deb403714f8e0232 *R/molecule.R
7023b0d9dc6483c3a6465fb6343af6d5 *R/props.R
1ddb1e27c1274c01f5b5fc35ad811b6b *R/rcdk.R
af1445af8ea9530c6787e52979024cd3 *R/smiles.R
b1d45df657d4dd2cd5bde1a2de353a42 *R/smsd.R
d110a4c4d36004ffd6abacdfb8de863c *R/stereo.R
91ed25b695e572b79c12bd573e17102f *R/visual.R
8a4fabc042f36a952933dc908c73cf02 *build/vignette.rds
850547528b8590c5f8e0f2117522dd36 *data/bpdata.RData
621b48bdf54c60588aa2b753cb8312f4 *inst/CITATION
326e6cdc7aa3dc6a6aacfcb2289f4d4b *inst/cont/com.objectplanet.image.PngEncoder.jar
e5a4f49261109aca4489c67ba686e9ec *inst/cont/rcdk.jar
73adfcd162d1d2ec1d1341d322a7d47b *inst/doc/PerformanceNotes.R
7acb58dce4c72e9f2203b042f215b8af *inst/doc/PerformanceNotes.Rmd
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81c4f0faf24fa5be77ee0f7a86965a74 *inst/doc/molform.R
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47285c5f9c1059562ae374487c50191d *inst/doc/rcdk.R
22abbcd83d4a3eb2af6ee3e80d24ecc2 *inst/doc/rcdk.Rmd
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ae9823a9eae7f1b14a8a4e14b28a084c *inst/molfiles/alanine.sdf
608c1dcd6b70d6c09aff6476de6abda2 *inst/molfiles/dhfr00008.sdf
9faa02b388641521eb7a98989858a489 *inst/molfiles/formulatest.mol
23933da6d8aa3123b7e9a7ba4dfff2d0 *inst/molfiles/glutamine.sdf
af90695a1ef19974eaa04b5d17c2e1f4 *inst/molfiles/kegg.sdf
d68b0df8b5914042fb60a6ed424004b2 *inst/unitTests/Makefile
586a0478a7ceddfb324e2a81332c313a *inst/unitTests/runit.atoms.R
993efb6e65748df8345be7a174ff4016 *inst/unitTests/runit.bonds.R
29e78d66385e24fb2502c1aab8e4cddb *inst/unitTests/runit.depiction.R
96d770946c47227378a16c39e2681f1a *inst/unitTests/runit.descs.R
0f5942bd31d6725f132ea054747a4025 *inst/unitTests/runit.fingerprints.R
a116ed90999152f5469e9c22d9f57f40 *inst/unitTests/runit.frags.R
9cd4b58d32606139576c51d5ed352b52 *inst/unitTests/runit.match.R
dc6a130b7131b6ac1aadfeb047bae785 *inst/unitTests/runit.props.R
fb1c4603322855f32c09ff0547952c2a *inst/unitTests/runit.rcdk.R
288057fb0cd87243083b8318281dc914 *inst/unitTests/runit.smiles.R
7de85252099c9057e30628dddbbe17b9 *inst/unitTests/runit.visual.R
086315ee8b2ade0bf4e67b34d567425b *java/README
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7fbcf9367fc0d9486f7f661de4ea7c4b *man/bpdata.Rd
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253da5d9d1255d57bbd1a5d11b3929d2 *man/get.connected.atom.Rd
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6fbf5ece42a76088a1ca3e9cd7151d70 *man/get.fingerprint.Rd
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6dfdc2826149dfaf7154b2a080a11f80 *man/get.murcko.fragments.Rd
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bd8309f9786a8352190ba1d8cc519067 *tests/doRUnit.R
7acb58dce4c72e9f2203b042f215b8af *vignettes/PerformanceNotes.Rmd
02870c382f6c6b630c736ee4d6730e30 *vignettes/molform.Rmd
22abbcd83d4a3eb2af6ee3e80d24ecc2 *vignettes/rcdk.Rmd
