0  B5R0.1  CC(C)=CCO 556-82-1 [0,0,0,0,0,0|0,1,0]=1
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|2,1,0]=4
9  B4R0.2  COCCO 109-86-4 [1,0,0,0,0,0|1,1,1]=4
10  B6R0.2  CC(C)=CC(=O)O 541-47-9 [0,1,0,0,0,0|0,1,1]=3
11  B6R0.3  CCC(=O)C(=O)O 600-18-0 [0,1,0,0,0,0|3,0,0]=4
12  B6R0.3  NC(CS)C(=O)O 52-90-4 [0,1,0,0,0,0|2,0,1]=4
13  B6R0.4  CSCCC(=O)O 646-01-5 [0,1,0,0,0,0|2,0,1]=4
14  B6R1.2  O=C1CCCC1 120-92-3 [0,0,0,1,0,0|2,0,1]=4
15  B6R1.2  O=C1CCCN1 616-45-5 [0,0,0,1,0,0|3,0,0]=4
16  B3R0.1  NCCS 60-23-1 [2,0,0,0,0,0|1,0,1]=4
17  B3R0.2  CN(C)C 593-81-7 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.3  CCC(C)C=O 96-17-3 [1,1,0,0,0,0|0,1,1]=4
19  B5R0.5  CC(=O)C(=O)O 127-17-3 [1,1,0,0,0,0|1,1,0]=4
20  B5R0.5  CC(=O)C(C)=O 431-03-8 [1,1,0,0,0,0|1,0,0]=3
21  B5R0.5  CC(C)C(=O)O 79-31-2 [1,1,0,0,0,0|0,1,1]=4