index
:
dataset
development
jl
master
master_lazar
mongodb
numeric
oldarch
pc
pc_unified_from_jl
release/v3.2.0
val_exp
Deprecated, for archival purposes only
summary
refs
log
tree
commit
diff
log msg
author
committer
range
path:
root
/
java
/
resources
/
smartsEvaluation
Mode
Name
Size
-rw-r--r--
2-phenylnaphtho-oxazole.mol
2027
log
plain
-rw-r--r--
2H-chromen-2-one.mol
1211
log
plain
-rw-r--r--
3-hydroxy-4-iminocyclohexa-2,5-dien-1-one.mol
1025
log
plain
-rw-r--r--
4-(methylimino)cyclohexa-2,5-dien-1-one.mol
1023
log
plain
-rw-r--r--
4-chlorpyrimidin.mol
812
log
plain
-rw-r--r--
4-chlorpyrimidin_h.mol
1096
log
plain
-rw-r--r--
5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol
2246
log
plain
-rw-r--r--
5-cyclobutyl-2-cycloheptylphosphinane.mol
1819
log
plain
-rw-r--r--
6-iminocyclohexa-1,4-diene-1,3-diol.mol
1019
log
plain
-rw-r--r--
8-amino-3H-phenoxazin-3-ol.mol
2654
log
plain
-rw-r--r--
8-amino-3H-phenoxazin-3-one.mol
1809
log
plain
-rw-r--r--
9,10-dihydroxyphenanthrene.mol
1714
log
plain
-rw-r--r--
TEST_1.mol
1366
log
plain
-rw-r--r--
TEST_1_H.mol
1750
log
plain
-rw-r--r--
TEST_2.mol
1576
log
plain
-rw-r--r--
TEST_3.mol
1770
log
plain
-rw-r--r--
ab_unsat_carbonyl.mol
680
log
plain
-rw-r--r--
ab_unsat_carbonyl_h.mol
1450
log
plain
-rw-r--r--
actinides.mol
2279
log
plain
-rw-r--r--
alkali_elements.mol
737
log
plain
-rw-r--r--
boron_group.mol
631
log
plain
-rw-r--r--
butan.mol
496
log
plain
-rw-r--r--
butene.mol
436
log
plain
-rw-r--r--
cis_butene.mol
501
log
plain
-rw-r--r--
di_halogen_ethyl.mol
1917
log
plain
-rw-r--r--
earth_alkanline.mol
638
log
plain
-rw-r--r--
ethan.mol
308
log
plain
-rw-r--r--
evaluation.txt
13401
log
plain
-rw-r--r--
he_group.mol
572
log
plain
-rw-r--r--
hydroxylamin.mol
503
log
plain
-rw-r--r--
hydroxylamin_H.mol
1169
log
plain
-rw-r--r--
knockout65.mol
1169
log
plain
-rw-r--r--
lanthanides.mol
2014
log
plain
-rw-r--r--
lanthanides2.mol
1357
log
plain
-rw-r--r--
peroxide.mol
405
log
plain
-rw-r--r--
phenol.mol
802
log
plain
-rw-r--r--
propan.mol
403
log
plain
-rw-r--r--
pyrene-4,5-diol.mol
1914
log
plain
-rw-r--r--
pyridine.mol
710
log
plain
-rw-r--r--
pyrimidin_derivat.mol
3562
log
plain
-rw-r--r--
recap.mol
7093
log
plain
-rw-r--r--
trans_butene.mol
503
log
plain
-rw-r--r--
water.mol
402
log
plain
-rw-r--r--
{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol
1621
log
plain
-rw-r--r--
{[[hydroxy(oxetan-3-yl)amino](oxaziridin-3-yl)methyl]dithio}methanetriol.mol
1737
log
plain