b9685cf9e0359b03a180e5063e16e6a5 *DESCRIPTION
861a1ba8711fc04cd1630d79559482d9 *INDEX
22063d748fc4e92aeb520c9bd3ef1a87 *LICENSE
ffb6b63637faf05c86f0b7790c870828 *Meta/Rd.rds
67d0d5964f3a04d88f780b55cff145de *Meta/features.rds
51f84d3b392ad089012ba46fad5822a5 *Meta/hsearch.rds
990de23684936907eadb628020d2241d *Meta/links.rds
2ef71186e8a01eee553755c1039dac5f *Meta/nsInfo.rds
391e86dbd99465c94b9a2bd04231ebbf *Meta/package.rds
44ec5686763dc846f97d0b7c728001ea *Meta/vignette.rds
e1f0ba9883e4d6409a777bd7d802cb29 *NAMESPACE
cd38ddb4de0b8157458314e991f9a508 *NEWS.Rd
ebf0fc819595d631b8bf280c4b049940 *R/ChemmineOB
07809e72e200baffac960ad80f95030f *R/ChemmineOB.rdb
4ec21a4736bfba452dfec88f6053a2fb *R/ChemmineOB.rdx
152aa2c42d54570a7d8dc65d08f49320 *doc/ChemmineOB.R
45ca4f848f23852cffc6eb27d42336be *doc/ChemmineOB.Rmd
c8e9b7c07cf9bf8121151892c5e57cf1 *doc/ChemmineOB.html
7087001080d7dcc8700cc405bbbc3596 *doc/index.html
177af78bea36bdefc4b66a77fa0814bf *help/AnIndex
1c898ba8b5155b49b8270f0a481d3bdf *help/ChemmineOB.rdb
90040db9b5beef3c5afe729f4524340a *help/ChemmineOB.rdx
448633b61628d40827fd19d655124f13 *help/aliases.rds
a8c75ad0af0c338ac7df734f05b4e6cb *help/paths.rds
ae19624bc80a12b8d1f7a9bd9838b32f *html/00Index.html
b41952f8ba36ef9a878f715bcd1aeda8 *html/OB-classes.html
b6763e6916890c631fdc3f2643803b1a *html/R.css
91dbb8f05743dc6929d119258cf4b150 *html/canonicalNumbering_OB.html
6ad1128308c498a4c2a5644b6d65f8fd *html/convertFormat.html
d37c34e9df0c8d921e4431370e401b29 *html/convertFormatFile.html
4f31c22ee73a4f4a31a284ebb30c6a17 *html/convertToImage.html
192b402393ea52718a2db9761ed98790 *html/exactMass_OB.html
c9e790a2cd14b8ffe69ed70a184fa836 *html/fingerprint_OB.html
1b8f624ee70ede04b11c53e4c523f5b8 *html/forEachMol.html
8bd2b2e34b57b520b0afbd6b34b05044 *html/prop_OB.html
282f85e5212aa66ab5ac197f1dde8908 *html/smartsSearch_OB.html
aa8d745b1156c444230431e17175ba3b *libs/i386/ChemmineOB.dll
715fc4acd86fd24fdec86aade14a9e80 *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
