0  B5R0.3  CCC(C)C=O 96-17-3 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.3  O=CC(O)CO 56-82-6 [0,0,0,0,0,0|0,0,2]=2
2  B5R0.3  OCC(O)CO 56-81-5 [0,0,0,0,0,0|0,0,0]=0
3  B4R0.1  CCC(=O)O 79-09-4 [1,0,0,0,0,0|1,0,2]=4
4  B4R0.1  NCC(=O)O 56-40-6 [1,0,0,0,0,0|1,0,2]=4
5  B4R0.2  COCCO 109-86-4 [1,0,0,0,0,0|2,0,0]=3
6  B4R0.2  NCCCN 109-76-2 [1,0,0,0,0,0|2,0,0]=3
7  B6R0.3  CC(CN)C(=O)O 144-90-1 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.3  CCC(O)C(=O)[O-] 5094-24-6 [0,1,0,0,0,0|1,0,2]=4
9  B6R0.3  CC[C@H](N)C(=O)O 1492-24-6 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.3  NC(CO)C(=O)O 56-45-1 [0,1,0,0,0,0|1,0,1]=3
11  B6R0.3  NC(CS)C(=O)O 52-90-4 [0,1,0,0,0,0|1,1,1]=4
12  B6R0.3  NCC(N)C(=O)O 54897-59-5 [0,1,0,0,0,0|2,0,1]=4
13  B3R0.1  NCCO 141-43-5 [2,0,0,0,0,0|1,0,0]=3
14  B3R0.1  NCCS 60-23-1 [2,0,0,0,0,0|1,1,0]=4
15  B3R0.2  CN(C)C 593-81-7 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.1  CC(C)=CCO 556-82-1 [1,1,0,0,0,0|1,0,1]=4
17  B5R0.5  CC(C)C(=O)O 79-31-2 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.5  CC(N)C(=O)O 56-41-7 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.5  C[C@@H](N)C(=O)O 338-69-2 [1,1,0,0,0,0|1,0,1]=4
20  B5R0.5  C[C@@H](O)C(=O)[O-] 920-49-0 [1,1,0,0,0,0|0,0,2]=4
21  B5R0.5  C[C@@H](O)[C@@H](C)O 24347-58-8 [1,1,0,0,0,0|0,0,0]=2
22  B5R0.5  C[C@H](O)C(=O)O 79-33-4 [1,1,0,0,0,0|0,0,1]=3
23  B5R0.2  NCCCCN 110-60-1 [1,1,0,0,0,0|2,0,0]=4
24  B7R0.5  N[C@@H](CCO)C(=O)O 672-15-1 [0,2,0,0,0,0|1,0,1]=4
25  B7R0.10  OC[C@@H](O)[C@H](O)CO 7493-90-5 [0,2,0,0,0,0|0,0,0]=2
26  B7R0.10  OC[C@H](O)[C@H](O)CO 149-32-6 [0,2,0,0,0,0|0,0,0]=2
27  B7R0.16  CC(C)C(O)C(=O)O 4026-18-0 [0,2,0,0,0,0|1,0,1]=4
28  B7R0.16  CC(O)C(N)C(=O)O 72-19-5 [0,2,0,0,0,0|1,0,1]=4
29  B7R0.16  C[C@H](O)[C@H](N)C(=O)O 28954-12-3 [0,2,0,0,0,0|1,0,1]=4