I
.
B
.1.d.2.
Bonds types in CCCBDB
All species with C=N bond.
Species
Name
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Experimental data
CN
Cyano radical
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Experimental data
CN
-
cyanide anion
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Experimental data
CN
+
Cyano cation
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Experimental data
HCN
Hydrogen cyanide
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Experimental data
HCN
-
Hydrogen cyanide anion
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Experimental data
HCN
+
hydrogen cyanide cation
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Experimental data
CNH
2
+
CNH2+
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Experimental data
H
2
CN
+
H2CN+
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Experimental data
CH
2
NH
Methanimine
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Experimental data
HNCNH
diiminomethane
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Experimental data
CH
2
NN
diazomethane
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Experimental data
NHCHNH
2
aminomethanimine
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Experimental data
CH
2
NCH
3
N-methylmethanimine
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Experimental data
CH
3
CHNH
ethanimine
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Experimental data
CNO
-
fulminate
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Experimental data
NCO
isocyanato radical
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Experimental data
NCO
isocyanato radical
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Experimental data
NCO
-
cyanate
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Experimental data
NCO
-
cyanate
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Experimental data
HNCO
Isocyanic acid
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Experimental data
CH
3
CHNOH
Acetaldoxime
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Experimental data
CH
2
N
4
1H-Tetrazole
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Experimental data
C
2
H
3
N
3
1H-1,2,4-Triazole
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Experimental data
C
3
H
4
N
2
1H-Imidazole
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Experimental data
C
3
H
4
N
2
1H-Pyrazole
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Experimental data
C
3
H
4
N
2
2H-Imidazole
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Experimental data
C
3
H
4
N
2
4H-Imidazole
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Experimental data
C
4
H
5
N
2H-pyrrole
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Experimental data
C
4
H
5
N
3H-pyrrole
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Experimental data
C
3
H
3
NO
Isoxazole
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Experimental data
C
3
H
3
NO
Oxazole
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Experimental data
CH
3
N
5
5-Aminotetrazole
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Experimental data
C
2
H
4
N
4
1H-Tetrazole, 1-methyl-
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Experimental data
C
2
H
4
N
4
1H-Tetrazole, 5-methyl-
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Experimental data
C
2
H
4
N
4
2H-Tetrazole, 2-methyl-
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Experimental data
C
4
H
6
N
2
1H-Imidazole, 2-methyl-
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Experimental data
C
4
H
5
NO
3-Methylisoxazole
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Experimental data
C
4
H
5
NO
Isoxazole, 5-methyl-
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Experimental data
C
4
H
5
NS
4-Methylthiazole
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Experimental data
C
4
H
7
NO
Oxazole, 4,5-dihydro-2-methyl-
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Experimental data
HCONH
2
CN
2
H
4
formamide aminomethanimine dimer
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Experimental data
C
5
H
5
NO
2(3H)-Pyridinone
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Experimental data
C
5
H
5
NO
2(5H)-Pyridinone
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Experimental data
C
5
H
5
NO
3(2H)-Pyridinone
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Experimental data
C
5
H
5
NO
3(4H)-Pyridinone
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Experimental data
C
5
H
5
NO
3(6H)-Pyridinone
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Experimental data
C
5
H
5
NO
4(3H)-Pryidinone
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Experimental data
C
4
H
5
N
3
O
Cytosine
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Experimental data
C
5
H
4
N
4
purine
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Experimental data