| 1 | 1,3‐Oxazin‐6‐one |
O=[#6]1:[#8]:[#6]:[#7]:[#6]:[#6]1 |
 |
2 |
2 |
1
|
2
|
2 |
| 2 | 1-Hydroxy-2,6-Dioxa-3-Oxophosphorinone |
[O][P]1(=[O])[O][#6](=[O])[#6]=[#6][O]1 |
 |
2 |
1 |
1
|
1
|
2 |
| 3 | 3H‐1,3‐Oxazine‐2,6‐Dione |
O=[#6]1:[#7]:[#6]:[#6]:[#6](=O):[#8]1 |
 |
1 |
1 |
1
|
1
|
1 |
| 4 | 4-Halo-Alpha-Pyrone |
[#8]=[#6]1:[#8]:[#6]:[#6]([F,Cl,Br,I]):[#6][#6]:1 |
 |
5 |
3 |
1
|
2
|
5 |
| 5 | Aldehyde |
[#6][CX3H1](=[O]) |
 |
99 |
59 |
5
|
7
|
134 |
| 6 | Alkyl Halide |
[CX4]-[F,Br,Cl,I] |
 |
31 |
29 |
3
|
7
|
44 |
| 7 | Alpha-Pyrone |
[#8]=[#6]1:[#8]:[#6]:[#6]:[#6][#6]:1 |
 |
1 |
1 |
1
|
1
|
1 |
| 8 | Amide |
[#6][CX3](=O)[N][#6] |
 |
2 |
2 |
1
|
2
|
2 |
| 9 | Aryl Sulfone |
[#6][S](=[O])(=[O])[#6] |
 |
4 |
3 |
1
|
2
|
4 |
| 10 | Beta-Lactam |
[O-0X1]=[C]1[C][C][N]1 |
 |
102 |
79 |
4
|
3
|
284 |
| 11 | Beta-Lactone |
[O-0X1]=[C]1[C][C][O]1 |
 |
5 |
8 |
1
|
4
|
11 |
| 12 | Beta-Sultam |
[O]=[S]1(=[O])[C][C][N]1 |
 |
5 |
5 |
1
|
1
|
7 |
| 13 | Borate |
[*][O][B]([O])[O][*] |
 |
2 |
2 |
1
|
2
|
2 |
| 14 | Boronic Acid |
[#6]-[B]([O])[O] |
 |
131 |
55 |
2
|
5
|
202 |
| 15 | Carbamate |
[#6]-[N]-[CX3](=O)-[O]-[#6] |
 |
8 |
6 |
1
|
2
|
9 |
| 16 | Carbamide |
[#6][N,n][CX3](=O)[N,n][#6] |
 |
3 |
3 |
2
|
2
|
3 |
| 17 | Carbonate |
[#6][O][C](=O)[O][#6] |
 |
2 |
2 |
1
|
1
|
7 |
| 18 | Carboxylic Acid |
[#6]-[CX3](=O)-[OX2H1,OX1-] |
 |
21 |
19 |
3
|
4
|
25 |
| 19 | Diazomethyl Carbonyl |
[*][CX3](=[O])[C]=[N+]=[N-] |
 |
6 |
15 |
4
|
4
|
18 |
| 20 | Ester |
[#6][CX3](=[O])-[O]-[#6] |
 |
12 |
13 |
2
|
3
|
16 |
| 21 | Gamma-Lactam |
[O-0X1]=[C]1[C][C][C][N]1 |
 |
3 |
1 |
1
|
1
|
7 |
| 22 | Gamma-Lactone |
O=[#6]-1-[#6]-[#6]-[#6]-[#8]-1 |
 |
12 |
5 |
1
|
2
|
12 |
| 23 | Halomethyl Carbonyl |
[*][CX3](=[O])[CX4]-[F,Cl,Br,I] |
 |
112 |
57 |
5
|
7
|
145 |
| 24 | Hemiacetal |
[OX2H][CX4][OX2][#6] |
 |
30 |
57 |
3
|
8
|
79 |
| 25 | Hydrazide |
[*][CX3](=[O])[#7]~[#7] |
 |
9 |
5 |
3
|
2
|
9 |
| 26 | Imidazolidinone |
[O]=[C]1[N][C][C][N]1 |
 |
11 |
25 |
1
|
1
|
53 |
| 27 | Isoxazolidin-3-one |
[#8]=[#6]1-[#6]-[#6]-[#8]-[#7]-1 |
 |
3 |
3 |
1
|
1
|
3 |
| 28 | Ketone |
[#6][CX3](=[O])[#6] |
 |
150 |
88 |
4
|
6
|
223 |
| 29 | Nitrile |
[C,c]-[C,c]#[N,n] |
 |
85 |
20 |
3
|
3
|
93 |
| 30 | O-Acyl Hydroxamic Acid |
[*][C](=[O])[N,n][O][C](=[O])[*] |
 |
4 |
4 |
2
|
2
|
5 |
| 31 | Phosphate |
[*][O][P]([O])([O])=O |
 |
8 |
29 |
1
|
4
|
32 |
| 32 | Phosphonate |
[#6][P]([O])([O])=O |
 |
37 |
26 |
1
|
3
|
43 |
| 33 | Phosphonohalogenate |
[C,O][P]([F,Cl,Br,I])([O])=O |
 |
9 |
15 |
1
|
1
|
18 |
| 34 | Phosphoramidocyanidate |
[#6][N][P]([O])(=O)[C]#[N] |
 |
2 |
3 |
1
|
1
|
5 |
| 35 | Phosphoramidohalogenate |
[C,O][P]([N])([F,Cl,Br,I])=O |
 |
5 |
2 |
1
|
1
|
7 |
| 36 | Phosphorothioate |
[C,O][P]([S])([O])=O |
 |
2 |
3 |
1
|
1
|
11 |
| 37 | Sulfonyl Halide |
[#6][S](=O)(=O)[F,Cl,Br,I] |
 |
20 |
20 |
1
|
3
|
27 |
| 38 | Thioster |
[#6][CX3](=O)[S][#6] |
 |
2 |
2 |
1
|
2
|
2 |