org.openscience.*
-
"cdk:ACDLabsAtomLabel"
"cdk:AllRings"
"cdk:Annotations"
"cdk:AtomAtomMapping"
"cdk:AutonomName"
"cdk:BeilsteinRN"
"cdk:CasRN"
"cdk:Chemical Group"
"cip.label"
"cdk:Comment"
"cdk:CtabSgroups"
"cdk:Description"
public static final int
1
"cdk:EssentialRings"
"cdk:Formula"
public static final int
1
public static final int
2
public static final int
3
public static final int
4
public static final int
5
public static final int
6
public static final int
7
public static final int
8
public static final int
0
"cdk:InChI"
public static final int
512
public static final int
256
public static final int
2048
public static final int
8
public static final int
32
public static final int
64
public static final int
2
public static final int
4
"cdk:IsotropicShielding"
public static final int
1
"cdk:Lone Pair Count"
public static final int
128
public static final int
13
public static final int
1
"cdk:Names"
"carbon nmr shift"
"deuterium nmr shift"
"fluorine nmr shift"
"hydrogen nmr shift"
"nitrogen nmr shift"
"phosphorus nmr shift"
"sulfur nmr shift"
"nmr signal intensity"
"nmr signal multiplicity"
"1D NMR spectrum"
"1D NMR spectrum: DEPT135"
"1D NMR spectrum: DEPT90"
"2D NMR spectrum: HHCOSY"
"2D NMR spectrum: HMBC"
"2D NMR spectrum: HSQC"
"2D NMR spectrum: INADEQUATE"
"cdk:Part of ring of size"
"cdk:Pi Bond Count"
"cdk:ReactionConditions"
"cdk:ReactionGroup"
"cdk:ReactionRole"
public static final int
1024
"cdk:RelevantRings"
"cdk:Remark"
"cdk:RestH"
"cdk:RingConnections"
"cdk:RingSizes"
"cdk:Single Electron Count"
public static final int
4096
"cdk:SmallestRings"
"cdk:SMILES"
"cdk:HOSE code spherical matcher"
"cdk:SpinMultiplicity"
public static final int
-1
public static final int
1
public static final int
0
"cdk:Title"
"cdk:TotalConnections"
"cdk:TotalHydrogenCount"
public static final int
16
-
public static final int
2
public static final int
1
-
"jmol"
"modeling"
"structgen"
-
public static final boolean
false
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5