0  B8R0.9  NCC(=O)CCC(=O)O 5451-09-2 [0,0,0,0,0,0|3,0,0]=3
1  B8R0.9  NCC(=O)NCC(=O)O 556-50-3 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.4  CCCCCC(=O)O 142-62-1 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.6  CC(=O)NCC(=O)O 543-24-8 [1,0,0,0,0,0|1,0,0]=2
4  B7R0.6  CC(C)CCC(=O)O 646-07-1 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.6  N=C(N)NCC(=O)O 352-97-6 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.6  NC(=O)\C=C/C(=O)O 557-24-4 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.6  O=C(O)CCC(=O)O 110-15-6 [1,0,0,0,0,0|1,0,0]=2
8  B7R0.6  O=C(O)\C=C/C(=O)O 110-16-7 [1,0,0,0,0,0|1,0,2]=4
9  B7R0.6  O=C(O)\C=C\C(=O)O 110-17-8 [1,0,0,0,0,0|1,0,2]=4
10  B9R0.7  O=C(O)CCC(=O)C(=O)[O-] 22202-68-2 [0,1,0,0,0,0|3,0,0]=4
11  B9R1.35  O=C1CCC(C(=O)O)N1 4042-36-8 [0,0,0,1,0,0|3,0,0]=4
12  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 98-79-3 [0,0,0,1,0,0|3,0,0]=4
13  B9R0.1  COC(=O)CCCC(=O)O 1501-27-5 [0,0,0,0,0,1|1,0,0]=2
14  B6R0.4  CCCCC(=O)O 109-52-4 [2,0,0,0,0,0|0,0,1]=3
15  B6R0.4  CSCCC(=O)O 646-01-5 [2,0,0,0,0,0|1,0,0]=3
16  B6R0.4  NCCCC(=O)O 56-12-2 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.4  O=CNCC(=O)O 2491-15-8 [2,0,0,0,0,0|1,0,0]=3
18  B8R0.23  C=C(CC(=O)O)C(=O)O 97-65-4 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.23  CC(=O)N[C@@H](C)C(=O)O 97-69-8 [1,1,0,0,0,0|1,0,0]=3
20  B8R0.23  CC(C)CC(N)C(=O)O 328-39-2 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.23  CC(C)C[C@H](O)C(=O)O 13748-90-8 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.23  CC(CC(=O)O)C(=O)O 498-21-5 [1,1,0,0,0,0|1,0,0]=3
23  B8R0.23  NC(=O)CC(N)C(=O)O 70-47-3 [1,1,0,0,0,0|1,0,0]=3
24  B8R0.23  NC(CC(=O)O)C(=O)O 56-84-8 [1,1,0,0,0,0|1,0,0]=3
25  B8R0.23  N[C@H](CC(=O)O)C(=O)O 1783-96-6 [1,1,0,0,0,0|1,0,0]=3
26  B8R0.23  O=C(O)CC(=O)C(=O)O 328-42-7 [1,1,0,0,0,0|1,0,1]=4
27  B8R0.23  O=C(O)C[C@H](O)C(=O)O 97-67-6 [1,1,0,0,0,0|1,0,0]=3
28  B8R1.18  CN1CC(=O)NC1=O 616-04-6 [0,0,0,1,1,0|2,0,0]=4
29  B6R0.2  CC(=O)CC(=O)[O-] 3483-11-2 [1,0,0,0,1,0|0,0,1]=3
30  B6R0.2  CC(C)=CC(=O)O 541-47-9 [1,0,0,0,1,0|1,0,1]=4
31  B6R0.2  CC(O)CC(=O)O 300-85-6 [1,0,0,0,1,0|0,0,2]=4
32  B6R0.2  CN(C)CC(=O)O 1118-68-9 [1,0,0,0,1,0|2,0,0]=4
33  B6R0.2  C[C@@H](O)CC(=O)O 625-72-9 [1,0,0,0,1,0|0,0,2]=4
34  B6R0.2  O=C(O)CC(=O)O 141-82-2 [1,0,0,0,1,0|1,0,0]=3
35  B6R0.3  CCC(=O)C(=O)O 600-18-0 [0,0,0,0,2,0|2,0,0]=4