c17a9a2077810825687bd730d1aff40d *DESCRIPTION
861a1ba8711fc04cd1630d79559482d9 *INDEX
22063d748fc4e92aeb520c9bd3ef1a87 *LICENSE
e9165027bd9dc23644d93110d60a54da *Meta/Rd.rds
25ec83abd15128a8ae9185d893802c45 *Meta/features.rds
98469ba6322b8d4aa25727cb4901d042 *Meta/hsearch.rds
6e26b8957e1c2b7f9501d93c191885c4 *Meta/links.rds
87febb2072f1a2adfdf0b9ee14d4c802 *Meta/nsInfo.rds
251304df6f492a1558ad7f58c9ee250b *Meta/package.rds
74dc2f36ea130b79d05f4eeab7021c2e *Meta/vignette.rds
e1f0ba9883e4d6409a777bd7d802cb29 *NAMESPACE
cd38ddb4de0b8157458314e991f9a508 *NEWS.Rd
ebf0fc819595d631b8bf280c4b049940 *R/ChemmineOB
7285d9fb7840de6c700b449b6cb25077 *R/ChemmineOB.rdb
50a1c1cd86a285099557a23f1ed76aab *R/ChemmineOB.rdx
1c9fdc7ce99b34fd6b833e748eba6c4a *doc/ChemmineOB.R
546112191536cdf72cf284c4b5682579 *doc/ChemmineOB.Rmd
abd92b3f254fbf6ea3155cdb8c0501b7 *doc/ChemmineOB.html
7087001080d7dcc8700cc405bbbc3596 *doc/index.html
177af78bea36bdefc4b66a77fa0814bf *help/AnIndex
7f59a36217ce0fd24986975387bc83e8 *help/ChemmineOB.rdb
cb03a34ab86d3c43809d4d2575bd2fa2 *help/ChemmineOB.rdx
5cf33a2ca05027a29b4378559954c648 *help/aliases.rds
386c92a8b6929d15c105a49219f8a13a *help/paths.rds
29105771af4d69a01b92baa39d8e8cd5 *html/00Index.html
5f95dece46db4e4185256d1fb3474d7f *html/OB-classes.html
b6763e6916890c631fdc3f2643803b1a *html/R.css
1ac41364a5b97361ef98ac6671e47017 *html/canonicalNumbering_OB.html
2077cae129a26b7a6e83fe1f6b47aec2 *html/convertFormat.html
d921cbf028591a4965c83954507279da *html/convertFormatFile.html
4426e06a396f4d77166a592e77feaeb6 *html/convertToImage.html
ac6b810cb97e9feefff4c95c88ccf739 *html/exactMass_OB.html
88072f36350a2e90a4b467ecae36f14c *html/fingerprint_OB.html
401b29a4cd459c65571579c3cdcd0fc6 *html/forEachMol.html
ac844c4170fc40ea36cb6d3edc2859a8 *html/prop_OB.html
7de1614919f7594ed1c6b441a8a3c8c1 *html/smartsSearch_OB.html
c6e8f6ca56a579cdcb7acfc984ddeab4 *libs/i386/ChemmineOB.dll
90a34a5782840c818e0f301e07bdde14 *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
