0  B8R0.23  CC(C)NC(=O)C(=O)O BB55-4701 [0,0,0,0,0,0|2,0,0]=2
1  B7R0.5  CCNC(C)C(N)=O BB58-3590 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.5  CCOC(=O)C(=O)[O-] BB58-2852 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.6  CC(C)OCC(=O)O BB55-5141 [1,0,0,0,0,0|1,0,1]=3
4  B9R0.23  COC(=O)C(N)CC(C)C BB58-4604 [0,1,0,0,0,0|1,0,2]=4
5  B9R0.42  CCC(C)NC(=O)C(=O)O BB55-4719 [0,1,0,0,0,0|2,0,0]=3
6  B9R1.35  CC1=CC(C(=O)O)=NN1 BB01-2577 [0,0,0,1,0,0|2,0,1]=4
7  B9R1.35  CC1=CC(C(=O)O)=NO1 BB01-4962 [0,0,0,1,0,0|2,0,1]=4
8  B9R1.35  CC1=CC(C(=O)O)=NO1 BB05-1141 [0,0,0,1,0,0|2,0,1]=4
9  B9R1.35  CC1=NNC(C(=O)O)=C1 BB01-2833 [0,0,0,1,0,0|2,0,1]=4
10  B9R1.35  CN1C=C(C(=O)O)C=N1 BB05-0076 [0,0,0,1,0,0|2,0,1]=4
11  B9R1.69  CC1CNC(=O)N(C)C1 BB58-3643 [0,0,0,1,0,0|2,0,1]=4
12  B9R0.7  CC(C)CNC(=O)C(=O)O BB57-0815 [0,0,0,0,0,1|1,0,1]=3
13  B9R0.53  CC(C)CC(N)CC(=O)O BB57-0289 [0,0,0,0,0,1|1,0,2]=4
14  B6R0.2  CC(C)=CC(=O)Cl BB20-1413 [2,0,0,0,0,0|1,0,1]=4
15  B6R0.4  CC(C)CCC=O BB58-4980 [2,0,0,0,0,0|0,0,2]=4
16  B6R0.4  CCNCC(=O)O BB20-0183 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.3  CC(CN)C(=O)O BB58-0275 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.3  CCC(N)C(=O)O BB55-8838 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.3  C\C=C(/Br)C(=O)O BB58-4520 [2,0,0,0,0,0|1,0,0]=3
20  B8R0.8  CCCCC(C)C(=O)O BB58-4619 [1,1,0,0,0,0|0,0,2]=4
21  B8R0.8  CCCNC(=O)C(=O)O BB55-4706 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.12  CCCC(C)(C)C(=O)O BB57-6787 [1,1,0,0,0,0|0,0,2]=4
23  B10R0.93  CC(N)C(=O)NC(C)C(=O)O BB57-4871 [0,1,0,0,0,1|1,0,1]=4
24  B10R0.54  COC(=O)\C(C#N)=C\N(C)C BB57-5145 [0,2,0,0,0,0|1,0,1]=4
25  B10R0.67  CCC(C)(C)NC(=O)C(=O)O BB55-4723 [0,2,0,0,0,0|2,0,0]=4
26  B10R0.72  CCC(CC)NC(=O)C(=O)O BB57-0814 [0,2,0,0,0,0|2,0,0]=4
27  B10R1.13  CC1CCC(C(=O)O)CC1 BB58-4355 [0,0,0,1,0,1|0,0,2]=4
28  B10R1.271  CN1C(=O)NC(C)(C)C1=O BB58-3106 [0,1,0,1,0,0|2,0,0]=4
29  B10R1.113  CC1CCCC(C(=O)O)C1 BB58-4369 [0,1,0,1,0,0|0,0,2]=4
30  B10R1.113  CN1CCC=C(C(=O)O)C1 BB58-4653 [0,1,0,1,0,0|1,0,1]=4