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1
1
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3
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8
2
5
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10
6
11
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8
15
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8
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19
20
1
1
1
1
1
1
1
1
1
1
1
1
1
1
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1
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1
1
1
5
1
17
7
3
19
1
1
6
2
18
8
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20
1
1
2
5
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-1.7566
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1.1182
Conformer
ID
11
2.1
PubChem
ncbi.nlm.nih.gov
2009.12.11
000143E400000001
Energy
MMFF94 NoEstat
7
1.6.0
Szybki
openeye.com
2012.01.18
8.7916
Feature
Self Overlap
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.01.18
0
Fingerprint
Shape
2
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
18185500 45 16466140783037407990
21040471 1 18411136965206722704
241688 4 18194407679932804465
5084963 1 18057329593913477210
66348 1 18410855442948292611
Shape
Multipoles
8
1.8.1
OEShape
openeye.com
2012.01.18
164.64
2.2
2.01
0.79
0
0
0.05
0
-0.25
0
0.15
0
0
0.32
Shape
Self Overlap
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.01.18
316.123
Shape
Volume
7
1.8.1
OEShape
openeye.com
2012.01.18
95
Conformer
RMSD
7
2009.12.11
0.4
Diverse Conformer
ID List
6
2010.05.05
1
Charge
MMFF94 Partial
2
1.7.6
OEChem
openeye.com
2012.05.21
12
1 0.14
17 0.15
18 0.15
19 0.15
2 0.14
20 0.15
3 0.14
4 0.14
5 -0.29
6 -0.29
7 -0.29
8 -0.29
Count
Effective Rotor
7
1.7.6
OEChem
ncbi.nlm.nih.gov
2012.01.18
0.8
Features
Pharmacophore
2
ImplicitMillsDean merged
1.8.1
OEShape
openeye.com
2012.05.21
0
8
0
0
0
2
2
0
0
1
1