0  B7R0.6  CC(C)SCC(=O)O F3249-0157 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.6  O=C(O)C#CC(=O)O F0001-0497 [0,0,0,0,0,0|0,0,2]=2
2  B6R0.4  C#CCCC(=O)O F1913-1832 [1,0,0,0,0,0|1,0,1]=3
3  B6R0.4  CSCCC(C)=O F0001-0996 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.4  N#CCCC(=O)O F8884-9159 [1,0,0,0,0,0|1,0,1]=3
5  B6R0.4  NC(=O)NCCO F1019-0075 [1,0,0,0,0,0|2,0,1]=4
6  B8R0.9  COC(=O)CCC(=O)O F1107-0326 [0,1,0,0,0,0|0,0,0]=1
7  B8R0.23  CC(C)C(N)CC(=O)O F0913-5477 [0,1,0,0,0,0|2,0,1]=4
8  B8R0.23  CC(C)CC(O)C(=O)O F8882-4328 [0,1,0,0,0,0|2,0,1]=4
9  B8R0.23  NC(CC(=O)O)C(=O)O F2191-0170 [0,1,0,0,0,0|0,0,0]=1
10  B8R1.23  C=C1CC(C(=O)O)C1 F2167-8028 [0,0,0,1,0,0|2,0,0]=3
11  B8R1.23  CC1CC(C(=O)O)C1 F8889-8201 [0,0,0,1,0,0|2,0,1]=4
12  B6R0.2  O=C(Cl)CC(=O)Cl F0001-0606 [0,0,0,0,1,0|2,0,0]=3
13  B5R0.2  CCCCC=O F2190-0583 [2,0,0,0,0,0|1,0,1]=4
14  B7R0.4  C=CCCCC(=O)O F1913-3310 [1,1,0,0,0,0|1,0,0]=3
15  B7R0.5  C#CCC(N)C(=O)O F8881-1986 [1,1,0,0,0,0|1,0,1]=4
16  B7R0.5  C=CCC(N)C(=O)O F8881-3848 [1,1,0,0,0,0|1,0,0]=3
17  B7R0.5  NC(CCO)C(=O)O F2127-0018 [1,1,0,0,0,0|0,0,1]=3
18  B9R0.1  COC(=O)CCC[N+](=O)[O-] F2147-8058 [0,1,0,0,0,1|1,0,1]=4
19  B9R0.23  COC(=O)C(=O)CC(C)=O F0001-0730 [0,2,0,0,0,0|1,0,1]=4
20  B9R0.24  COC(=O)C#CC(=O)OC F0001-1934 [0,2,0,0,0,0|0,0,2]=4
21  B9R0.79  O=C(O)C(O)C(O)C(=O)O F2191-0230 [0,2,0,0,0,0|0,0,0]=2
22  B7R1.2  O=C1CCC(=O)C1 F0001-1098 [1,0,0,1,0,0|1,0,0]=3
23  B7R1.2  O=C1CNC(=O)C1 F2147-2476 [1,0,0,1,0,0|2,0,0]=4
24  B9R1.35  O=C1CC[C@H](C(=O)O)N1 F0001-2478 [0,0,0,1,0,1|1,0,0]=3
25  B5R0.5  O=C(O)C(=O)O F2191-0257 [0,0,0,0,2,0|0,0,0]=2
26  B9R0.55  O=C(Cl)CCCCC(=O)Cl F0001-0243 [0,0,0,0,0,2|2,0,0]=4