0  B7R0.16  CC(C)C(=C)C(=O)O A2Z00049593 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.2  C(C(=O)O)C(=O)O A2Z00038640 [1,0,0,0,0,0|1,0,1]=3
2  B6R0.3  C(C(C(=O)N)N)O A2Z00085566 [1,0,0,0,0,0|1,0,0]=2
3  B6R0.3  C(C(C(=O)O)N)O A2Z00096658 [1,0,0,0,0,0|0,0,0]=1
4  B6R0.3  CC(C)C(C#N)N A2Z00094740 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.3  CC(CO)[N+](=O)[O-] A2Z00048273 [1,0,0,0,0,0|2,0,1]=4
6  B8R0.2  CC(C(C(=O)O)Br)OC A2Z00049624 [0,1,0,0,0,0|1,0,0]=2
7  B8R1.54  CC(C1CC1)C(=O)O A2Z00047916 [0,0,0,1,0,0|2,0,0]=3
8  B8R0.23  CC(=O)CC(C(=O)O)N A2Z00050345 [0,0,0,0,0,1|0,0,2]=3
9  B8R0.23  CC(C)C(CC(=O)O)O A2Z00049174 [0,0,0,0,0,1|2,0,0]=3
10  B5R0.1  C(C#N)C(=O)O A2Z00093469 [2,0,0,0,0,0|1,0,1]=4
11  B5R0.1  C(CBr)C(=O)N A2Z00070352 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.1  CC(=O)CCN A2Z00069826 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.1  CC(CNN)O A2Z00062183 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.1  CCCC(=O)O A2Z00093490 [2,0,0,0,0,0|0,0,0]=2
15  B5R0.1  CNCC(=O)O A2Z00095987 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.1  COCC(=O)Cl A2Z00094312 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.3  C(C(=O)C=O)O A2Z00050060 [2,0,0,0,0,0|1,0,1]=4
18  B5R0.5  CC(=O)N(C)N A2Z00094878 [2,0,0,0,0,0|2,0,0]=4
19  B5R0.5  CC(C(=O)C)Cl A2Z00093500 [2,0,0,0,0,0|2,0,0]=4
20  B5R0.5  CC(C(=O)N)Cl A2Z00098040 [2,0,0,0,0,0|1,0,1]=4
21  B7R0.2  CC(=O)CC(=O)OC A2Z00093511 [1,1,0,0,0,0|0,0,2]=4
22  B7R0.2  CC(CO)NC(=O)C A2Z00047992 [1,1,0,0,0,0|2,0,0]=4
23  B7R0.2  CCC(CC(=O)O)N A2Z00050458 [1,1,0,0,0,0|1,0,0]=3
24  B7R0.10  CCC(C(=O)OC)Br A2Z00096125 [1,1,0,0,0,0|1,0,0]=3
25  B7R0.10  CCC(C(=O)OC)N A2Z00098004 [1,1,0,0,0,0|0,0,0]=2
26  B7R0.10  COC(=O)C(CO)N A2Z00085507 [1,1,0,0,0,0|0,0,0]=2
27  B7R0.10  COC(=O)C(CS)N A2Z00096121 [1,1,0,0,0,0|0,1,0]=3
28  B9R0.39  C(C(CN)C(=O)O)C(=O)O A2Z00096527 [0,1,0,0,0,1|1,0,1]=4
29  B9R0.42  CCC(=O)CC(C(=O)O)N A2Z00096363 [0,1,0,0,0,1|0,0,2]=4
30  B9R0.42  COC(=O)CC(C(=O)O)N A2Z00070351 [0,1,0,0,0,1|0,0,2]=4
31  B7R1.2  C1CC(=O)OC1O A2Z00096558 [1,0,0,1,0,0|2,0,0]=4
32  B7R1.4  C1CC(C(C1)O)N A2Z00095968 [1,0,0,1,0,0|1,0,1]=4
33  B7R0.6  CC(C)COC(=O)Cl A2Z00093541 [1,0,0,0,0,1|2,0,0]=4
34  B7R0.6  CC(C)SCC(=O)O A2Z00055812 [1,0,0,0,0,1|1,0,0]=3
35  B7R0.6  CN(C)CCC(=O)O A2Z00094718 [1,0,0,0,0,1|2,0,0]=4
36  B9R0.53  CC(C)CC(CC(=O)O)O A2Z00049177 [0,0,0,0,0,2|2,0,0]=4