0  B8R0.19  CCC(=O)CC(=O)OC 10093 [0,0,1,0,0,0|2,0,0]=3
1  B8R1.4  C1CC(=CC(=O)C1)N 8165 [0,0,0,0,1,0|2,0,0]=3
2  B8R1.4  C1CC(=O)CC(=O)C1 10153 [0,0,0,0,1,0|1,0,0]=2
3  B8R1.4  C1CNC(=O)CC1=O 9532 [0,0,0,0,1,0|2,0,0]=3
4  B7R0.3  COC(=O)CCCBr 9868 [1,0,1,0,0,0|1,0,1]=4
5  B7R0.3  COC(=O)CCCN 8415 [1,0,1,0,0,0|1,0,1]=4
6  B7R0.7  CCOC(=O)CCN 8696 [1,0,1,0,0,0|1,0,1]=4
7  B7R0.4  CCCC=CC(=O)[O-] 6126 [1,0,1,0,0,0|2,0,0]=4
8  B9R0.6  CCOC(=O)C(C(=O)C)Cl 10560 [0,1,1,0,0,0|2,0,0]=4
9  B9R0.6  CCOC(=O)C(C(=O)C)F 9673 [0,1,1,0,0,0|2,0,0]=4
10  B9R0.47  C(CCN)CC(C(=O)O)N 6866 [0,1,1,0,0,0|1,0,1]=4
11  B9R0.47  C(CCN)C[C@@H](C(=O)O)N 6772 [0,1,1,0,0,0|1,0,1]=4
12  B9R0.47  CCCCCC(C)C(=O)O 8193 [0,1,1,0,0,0|1,0,1]=4
13  B9R0.55  CC(=O)NCCCC(=O)O 9971 [0,1,1,0,0,0|1,0,0]=3
14  B9R1.69  C1CC(=O)NC(=O)C1N 10503 [0,1,0,0,1,0|1,0,0]=3
15  B9R1.6  C1CC(CC=C1)C(=O)O 5455 [0,0,1,1,0,0|1,0,1]=4
16  B9R1.6  C1CC(CC=C1)C(=O)O 8425 [0,0,1,1,0,0|1,0,1]=4
17  B9R1.6  C1CC(CNC1)C(=O)O 5653 [0,0,1,1,0,0|2,0,0]=4
18  B9R1.6  C1CCNC(C1)C(=O)O 5668 [0,0,1,1,0,0|1,0,1]=4
19  B9R1.6  C1CCNC(C1)C(=O)O 9852 [0,0,1,1,0,0|1,0,1]=4
20  B7R1.3  C1CCC(=O)CC1 5327 [1,0,0,0,1,0|0,0,1]=3
21  B7R1.3  C1CNC(=O)CN1 8468 [1,0,0,0,1,0|2,0,0]=4
22  B7R1.3  C1CNCCC1=O 10646 [1,0,0,0,1,0|1,0,1]=4
23  B7R1.3  C1CNCCC1=O 8608 [1,0,0,0,1,0|1,0,1]=4
24  B7R1.3  C1COCCC1=O 9746 [1,0,0,0,1,0|1,0,1]=4
25  B7R1.2  C1C(=O)NC(=O)S1 9422 [0,0,0,0,2,0|2,0,0]=4
26  B7R1.2  C1CC(=O)CC1=O 5093 [0,0,0,0,2,0|1,0,0]=3
27  B7R1.4  CN1CCCC1=O 5092 [0,0,0,0,2,0|2,0,0]=4
28  B7R1.4  CN1CCCC1=O M0011 [0,0,0,0,2,0|2,0,0]=4