0  B6R1.2  O=C1CCCC1 120-92-3 [0,0,0,0,0,0|1,0,0]=1
1  B6R1.2  O=C1CCCN1 616-45-5 [0,0,0,0,0,0|2,0,0]=2
2  B5R0.1  CC(C)=CCO 556-82-1 [0,0,1,0,0,0|1,1,1]=4
3  B5R0.1  CCCC(=O)O 107-92-6 [0,0,1,0,0,0|2,0,0]=3
4  B5R0.1  CNCC(=O)O 107-97-1 [0,0,1,0,0,0|2,0,0]=3
5  B5R0.1  C\C=C\C(=O)O 107-93-7 [0,0,1,0,0,0|2,0,1]=4
6  B5R0.1  NCCC(=O)O 107-95-9 [0,0,1,0,0,0|2,0,0]=3
7  B5R0.1  NCCS(=O)O 300-84-5 [0,0,1,0,0,0|3,0,0]=4
8  B7R1.3  O=C1CCCCO1 542-28-9 [0,0,0,0,0,1|1,0,0]=2
9  B4R0.1  CCC(=O)O 79-09-4 [1,0,1,0,0,0|0,1,0]=3
10  B4R0.1  NCC(=O)O 56-40-6 [1,0,1,0,0,0|1,1,0]=4
11  B4R0.2  COCCO 109-86-4 [1,0,1,0,0,0|0,1,1]=4
12  B6R0.2  CC(=O)CC(=O)[O-] 3483-11-2 [0,1,1,0,0,0|0,1,1]=4
13  B6R0.2  CC(O)CC(=O)O 300-85-6 [0,1,1,0,0,0|1,1,0]=4
14  B6R0.2  CN(C)CC(=O)O 1118-68-9 [0,1,1,0,0,0|2,0,0]=4
15  B6R0.2  C[C@@H](O)CC(=O)O 625-72-9 [0,1,1,0,0,0|1,1,0]=4
16  B6R0.3  CC(CN)C(=O)O 144-90-1 [0,1,1,0,0,0|2,0,0]=4
17  B6R0.3  CCC(O)C(=O)[O-] 5094-24-6 [0,1,1,0,0,0|2,0,0]=4
18  B6R0.3  CC[C@H](N)C(=O)O 1492-24-6 [0,1,1,0,0,0|2,0,0]=4
19  B6R0.3  NC(CO)C(=O)O 56-45-1 [0,1,1,0,0,0|1,1,0]=4
20  B6R0.3  NC(CS)C(=O)O 52-90-4 [0,1,1,0,0,0|1,0,0]=3
21  B6R0.3  NCC(N)C(=O)O 54897-59-5 [0,1,1,0,0,0|2,0,0]=4
22  B6R0.4  CCCCC(=O)O 109-52-4 [0,1,1,0,0,0|2,0,0]=4
23  B6R0.4  CSCCC(=O)O 646-01-5 [0,1,1,0,0,0|1,0,0]=3
24  B6R0.4  NCCCC(=O)O 56-12-2 [0,1,1,0,0,0|2,0,0]=4
25  B6R0.6  OCCSCCO 111-48-8 [0,1,1,0,0,0|0,0,2]=4
26  B8R1.4  O=C1CCNC(=O)N1 504-07-4 [0,1,0,0,0,1|1,0,1]=4