0  B9R0.39  CC(=O)NC(C#N)C(N)=O BB55-6845 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.23  C=C(NC(C)=O)C(=O)O BB01-7568 [1,0,0,0,0,0|0,0,2]=3
2  B8R0.23  CC(CN(C)C)C(=O)O BB12-1434 [1,0,0,0,0,0|3,0,0]=4
3  B10R0.162  CC(=O)N[C@@H](C(=O)O)C(C)C BB12-2923 [0,1,0,0,0,0|1,0,0]=2
4  B10R1.113  CC1CCCC(C(=O)O)N1 BB57-2043 [0,0,0,1,0,0|2,0,1]=4
5  B10R1.113  O=C1CSCC(C(=O)O)N1 BB01-5725 [0,0,0,1,0,0|0,0,0]=1
6  B10R1.359  CC1(C)NC(C(=O)O)CS1 BB57-4281 [0,0,0,1,0,0|1,0,1]=3
7  B8R0.18  CCC(C(=O)O)N(C)C BB12-3549 [0,0,0,0,1,0|3,0,0]=4
8  B7R0.5  CC(NC=O)C(=O)O BB12-1345 [2,0,0,0,0,0|0,0,0]=2
9  B7R0.5  CCSC(C)C(=O)O BB12-3261 [2,0,0,0,0,0|1,0,1]=4
10  B7R0.5  CNCC(C)C(=O)O BB12-1637 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.15  CCC(CN)C(=O)O BB58-3841 [2,0,0,0,0,0|1,0,1]=4
12  B7R0.15  CCC(NC)C(=O)O BB57-2477 [2,0,0,0,0,0|1,0,0]=3
13  B7R0.15  CCC(NC)C(N)=O BB57-1806 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.15  CCC(OC)C(=O)O BB57-2928 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.6  CC(=O)OCC(=O)Cl BB12-3445 [2,0,0,0,0,0|2,0,0]=4
16  B9R0.11  CC(=O)NC(C)(C)C(=O)O BB57-1682 [1,1,0,0,0,0|0,0,0]=2
17  B9R0.23  COC(=O)C(C)NC(N)=O BB01-7618 [1,1,0,0,0,0|1,0,0]=3
18  B11R0.115  COC(=O)C(NC(N)=O)C(C)C BB01-7597 [0,2,0,0,0,0|2,0,0]=4
19  B9R1.35  CC1=NC(C(=O)O)CC1 BB58-2824 [1,0,0,1,0,0|1,0,1]=4
20  B9R1.35  O=C1CC(C(=O)O)CN1 BB57-2160 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.35  O=C1CC(C(=O)O)CS1 BB01-0509 [1,0,0,1,0,0|1,0,0]=3
22  B11R1.497  O=C1CCCCC(C(=O)O)N1 BB20-3012 [0,1,0,1,0,0|1,0,0]=3
23  B11R1.228  O=C(CCl)NC1CCSC1=O BB54-2530 [0,1,0,1,0,0|1,1,0]=4
24  B11R1.866  COC(=O)C1CSC(C)(C)N1 BB57-4282 [0,1,0,1,0,0|1,0,1]=4
25  B11R2.208  O=C1CNC(=O)C2(CC2)N1 BB20-2547 [0,0,0,2,0,0|2,0,0]=4
26  B7R0.16  CC(C(=O)O)C(=O)O BB20-4558 [1,0,0,0,1,0|1,0,0]=3
27  B7R0.16  CC(C(=O)O)N(C)C BB12-1429 [1,0,0,0,1,0|2,0,0]=4
28  B9R0.7  C\C(=N/NC(N)=O)C(=O)O BB55-4652 [1,0,0,0,0,1|1,0,1]=4
29  B9R0.53  CC(=O)NC(C)CC(=O)O BB57-3774 [1,0,0,0,0,1|0,0,0]=2