c3f8e0e837fcf8983384a0530f6590b1 *DESCRIPTION
861a1ba8711fc04cd1630d79559482d9 *INDEX
22063d748fc4e92aeb520c9bd3ef1a87 *LICENSE
4e792889de1a82bbe4738abc5fa7f9c1 *Meta/Rd.rds
429724b30f0322e2d56778dd130867d3 *Meta/features.rds
fa3dbb70b26d491105a19fc9785d49ea *Meta/hsearch.rds
1d3c86ab260ad8248ae3a4efec3122c1 *Meta/links.rds
deb8660ea4c31d0cb90b2a748b07b08b *Meta/nsInfo.rds
008d69c91450abac300ac25674ff234a *Meta/package.rds
1017ec56af85b65686083496ff47ae5f *Meta/vignette.rds
e1f0ba9883e4d6409a777bd7d802cb29 *NAMESPACE
cd38ddb4de0b8157458314e991f9a508 *NEWS.Rd
ebf0fc819595d631b8bf280c4b049940 *R/ChemmineOB
8d540086e7c72df3b329c55fd2ced3bd *R/ChemmineOB.rdb
eef875681c414aa8c54eb5a75f5e4b10 *R/ChemmineOB.rdx
1c9fdc7ce99b34fd6b833e748eba6c4a *doc/ChemmineOB.R
546112191536cdf72cf284c4b5682579 *doc/ChemmineOB.Rmd
8ffa30ab8f3cc1283c4cca26856a51c9 *doc/ChemmineOB.html
7087001080d7dcc8700cc405bbbc3596 *doc/index.html
177af78bea36bdefc4b66a77fa0814bf *help/AnIndex
e98b87825355ea2c6a1cfc6d75b0f4a2 *help/ChemmineOB.rdb
281ebee9393b9c8542e5961071a535a3 *help/ChemmineOB.rdx
f8756387b37307cb6b71e8fc2210f154 *help/aliases.rds
baca24fba31d8ab9eefcd66a79434c45 *help/paths.rds
16f9ad9a807a3318bf4237a5ac079620 *html/00Index.html
1ad5bf1d5fe5829cd8a9f2c6a6e6cb83 *html/OB-classes.html
b6763e6916890c631fdc3f2643803b1a *html/R.css
7c127c3145f082c7777d48902823dc3f *html/canonicalNumbering_OB.html
2270edfed3eb4413ffb8a06ca8dde1b1 *html/convertFormat.html
3e9e825d1f565820d504dc44b65ce8fb *html/convertFormatFile.html
4c7679f914d906eb4e81eb29fead3ac1 *html/convertToImage.html
d02f2db7fc16cb69508f9eb5672a01af *html/exactMass_OB.html
dced06c53770b7565d60f1f9c13c166e *html/fingerprint_OB.html
69c4c3e2a8c25b7e63a789ed029569bf *html/forEachMol.html
44f5f7077f61d42e8e89c3f5c63aed06 *html/prop_OB.html
2142fdb7e4213d9a710487ec46ed39fd *html/smartsSearch_OB.html
173ceacd072229f8bcf80cd608db2e1e *libs/i386/ChemmineOB.dll
9b2362a240b8f99aebe64c3824daef50 *libs/x64/ChemmineOB.dll
7977cc21f976e301066fc7e1a24087bb *openbabel_data/CMakeLists.txt
6e7e46e3ce7697b27bf165c3117676ef *openbabel_data/MACCS.txt
d62b7aac73fb4055dd3f2aeb98dda223 *openbabel_data/SMARTS_InteLigand.txt
bd09cbd61ae3eb71e9c4491a72f980c5 *openbabel_data/UFF.prm
76e15817bceeb0312a39bc55fcbd318e *openbabel_data/aromatic.txt
3196562ddbea37d7c88ee1e352d5262f *openbabel_data/atomtyp.txt
044db1bcdc32a8fd20addbd499af6bd2 *openbabel_data/babel_povray3.inc
b3ed39af82f7e6e505508d4b8569f13e *openbabel_data/bin2hex.pl
e9e9d05957a0205eb4c79b29d4b1dee7 *openbabel_data/bondtyp.txt
6a267107c07c4c92a1be40c2fdf6d21c *openbabel_data/element.txt
b4ad971813d73c3f73dcaf942e74fbb9 *openbabel_data/fragments.txt
4944b8d67de5fee96bb0857d34aac376 *openbabel_data/gaff.dat
0d876fe9f6830cd92973d99d982d3efb *openbabel_data/gaff.prm
e447e65119abb7d678c9549206af8cc5 *openbabel_data/genheaders.sh
017288da0b33b5ac031c3519ab5695aa *openbabel_data/ghemical.prm
e745bff36a346d8f38b022654088b394 *openbabel_data/isotope-small.txt
e296716878102a6d7dcf05570f74a2d9 *openbabel_data/isotope.txt
2c57c871779ca051278202fc1ecf3bfd *openbabel_data/logp.txt
66f6f3c5c4068ef6841ff00f478561d7 *openbabel_data/mm2.prm
be5ff522617dea390361248f16a94091 *openbabel_data/mmff94.ff
2bbe89709f675596f1317b410a8d8040 *openbabel_data/mmff94s.ff
3ec8373f19462004155dce347c5a3a62 *openbabel_data/mmffang.par
2550d2b99e29f0069ea9b484704c12cf *openbabel_data/mmffbndk.par
6b746d9c565acd317f624b3965e86ac5 *openbabel_data/mmffbond.par
ee54141fedff2c456480ef13a32b35d3 *openbabel_data/mmffchg.par
6f0bcd30e4d2c039ba1ea417da5008cd *openbabel_data/mmffdef.par
54b36ddafa1e88c9b5b0042bee002f5a *openbabel_data/mmffdfsb.par
35e25b2bf875e6885b8c382119e33614 *openbabel_data/mmffoop.par
e52850fe6fe124d25b8ee130afb9164e *openbabel_data/mmffpbci.par
54be23e685e2768124bc0b6c2f32d654 *openbabel_data/mmffprop.par
d3ececbdd4eaac1f5bc662967f34cfca *openbabel_data/mmffs_oop.par
57465326131ae3aabec0a6d6c1be8133 *openbabel_data/mmffs_tor.par
e73d625bf9eca7444593392bcd79bbb8 *openbabel_data/mmffstbn.par
b620e7845df83c55a2672b27fdf71f78 *openbabel_data/mmfftor.par
d976d5a602b278fbc215a51260ad3643 *openbabel_data/mmffvdw.par
10b08da9d73604edf86ce1d52fc46600 *openbabel_data/mpC.txt
88bbaf8ed6e2bd380ba72bf1623dc706 *openbabel_data/mr.txt
f85f7071ed6b827d3556cf3bbfbb8cb3 *openbabel_data/patterns.txt
1f3ec77176601a2aa650fdfbd98ed28b *openbabel_data/phmodel.txt
eb8c0673c4975081b3f54aa1d5e51667 *openbabel_data/plugindefines.txt
b04f2b597cc496abebab0624e893ffba *openbabel_data/psa.txt
1a5a5b850c3fbbe8cac3e41fa6e56ea5 *openbabel_data/qeq.txt
0ddc021f6a63b15448b5d344f8b069c1 *openbabel_data/resdata.txt
bdc5ee07b21662173b30c0af388b86bf *openbabel_data/ringtyp.txt
8caa5f69721cc18746ae1cddcd87e25e *openbabel_data/space-groups.txt
eef3bcc25e500b0aff427b88108105d5 *openbabel_data/space-groups.xsl
7cd7574162bd11a439a876e9739e01db *openbabel_data/splash.png
c80caac0bb2878dcbd25af043f3bb4dc *openbabel_data/superatom.txt
69a30183e5762fba8db7dd083216db01 *openbabel_data/svgformat.script
37ad4cc1f246207912cbcaeddcf258ee *openbabel_data/templates.sdf
94bb63776410d9cebc54e6e3009a3957 *openbabel_data/torlib.txt
4fb75615acc82abcca77e4c8f63bd639 *openbabel_data/types.txt
8dbd9118a4f569760fb0ad66e6511494 *unitTests/test_conversions.R
60f1b7fac7b6cb1f27687c87f68f2a81 *unitTests/test_main.R
