0  B5R0.1  CC(C)=CCO 556-82-1 [0,0,0,0,0,0|0,0,0]=0
1  B5R0.1  CCCC(=O)O 107-92-6 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  C\C=C\C(=O)O 107-93-7 [0,0,0,0,0,0|3,0,1]=4
3  B5R0.1  NCCC(=O)O 107-95-9 [0,0,0,0,0,0|3,0,1]=4
4  B4R0.1  C=CC(=O)O 79-10-7 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  CCC(=O)O 79-09-4 [1,0,0,0,0,0|2,0,1]=4
6  B4R0.1  CNC(=N)N 21770-81-0 [1,0,0,0,0,0|3,0,0]=4
7  B4R0.1  NCC(=O)O 56-40-6 [1,0,0,0,0,0|3,0,0]=4
8  B4R0.1  O=CC(=O)O 563-96-2 [1,0,0,0,0,0|2,0,1]=4
9  B4R0.2  COCCO 109-86-4 [1,0,0,0,0,0|1,0,1]=3
10  B6R0.2  CC(C)=CC(=O)O 541-47-9 [0,1,0,0,0,0|0,0,1]=2
11  B6R0.2  CC(O)CC(=O)O 300-85-6 [0,1,0,0,0,0|2,0,1]=4
12  B6R0.2  CN(C)CC(=O)O 1118-68-9 [0,1,0,0,0,0|1,0,2]=4
13  B6R0.2  C[C@@H](O)CC(=O)O 625-72-9 [0,1,0,0,0,0|2,0,1]=4
14  B6R0.3  CCC(=O)C(=O)O 600-18-0 [0,1,0,0,0,0|3,0,0]=4
15  B6R0.3  NC(CO)C(=O)O 56-45-1 [0,1,0,0,0,0|2,0,1]=4
16  B6R1.2  O=C1CCCC1 120-92-3 [0,0,0,1,0,0|2,0,1]=4
17  B6R1.2  O=C1CCCN1 616-45-5 [0,0,0,1,0,0|3,0,0]=4
18  B3R0.1  NCCO 141-43-5 [2,0,0,0,0,0|1,0,1]=4
19  B3R0.2  CN(C)C 593-81-7 [2,0,0,0,0,0|1,0,0]=3
20  B5R0.3  CCC(C)C=O 96-17-3 [1,1,0,0,0,0|0,0,2]=4
21  B5R0.3  OCC(O)CO 56-81-5 [1,1,0,0,0,0|1,0,1]=4
22  B5R0.5  CC(=O)C(=O)O 127-17-3 [1,1,0,0,0,0|1,0,0]=3
23  B5R0.5  CC(=O)C(C)=O 431-03-8 [1,1,0,0,0,0|1,0,0]=3
24  B5R0.5  CC(C)C(=O)O 79-31-2 [1,1,0,0,0,0|0,0,1]=3
25  B5R0.5  CC(N)C(=O)O 56-41-7 [1,1,0,0,0,0|1,0,1]=4
26  B5R0.5  C[C@@H](N)C(=O)O 338-69-2 [1,1,0,0,0,0|1,0,1]=4
27  B5R0.5  C[C@@H](O)C(=O)[O-] 920-49-0 [1,1,0,0,0,0|2,0,0]=4
28  B5R0.5  C[C@@H](O)[C@@H](C)O 24347-58-8 [1,1,0,0,0,0|1,0,1]=4
29  B5R0.5  C[C@H](O)C(=O)O 79-33-4 [1,1,0,0,0,0|1,0,1]=4
30  B5R0.5  O=C(O)C(=O)O 6153-56-6 [1,1,0,0,0,0|2,0,0]=4
31  B7R0.16  CC(C)C(=O)C(=O)O 759-05-7 [0,2,0,0,0,0|0,0,2]=4
32  B7R0.6  CC(=O)NCC(=O)O 543-24-8 [0,2,0,0,0,0|2,0,0]=4
33  B7R0.6  CC(C)CCC(=O)O 646-07-1 [0,2,0,0,0,0|0,0,2]=4