0  B5R0.1  CNCC(=O)O CP09001 [1,1,0,0,0,0|1,0,0]=3
1  B5R0.1  CNCC(N)=O CP09005 [1,1,0,0,0,0|1,0,0]=3
2  B5R0.1  NCCC(=O)O CP02301 [1,1,0,0,0,0|1,0,0]=3
3  B5R0.1  NCCC(N)=O CP25964 [1,1,0,0,0,0|1,0,0]=3
4  B5R0.1  O=C(O)CCS CP25144 [1,1,0,0,0,0|1,0,0]=3
5  B7R0.2  CC(C)C[C@H](N)CO CP27433 [0,2,0,0,0,0|0,0,2]=4
6  B7R0.2  NCC(N)CC(=O)O CP05401 [0,2,0,0,0,0|1,0,0]=3
7  B7R0.2  NC[C@@H](N)CC(=O)O CP05403 [0,2,0,0,0,0|1,0,0]=3
8  B7R0.2  NC[C@H](N)CC(=O)O CP05402 [0,2,0,0,0,0|1,0,0]=3
9  B7R0.2  N[C@@H](CO)CC(=O)O CP25431 [0,2,0,0,0,0|1,0,0]=3
10  B7R0.2  N[C@H](CO)CC(=O)O CP25432 [0,2,0,0,0,0|1,0,0]=3
11  B7R0.3  CSCC[C@H](N)CO CP26964 [0,2,0,0,0,0|0,0,2]=4
12  B7R0.5  C#CCC(N)C(=O)O CP08903 [0,2,0,0,0,0|0,0,2]=4
13  B7R0.5  C#CC[C@@H](N)C(=O)O CP08902 [0,2,0,0,0,0|0,0,2]=4
14  B7R0.5  C#CC[C@H](N)C(=O)O CP08901 [0,2,0,0,0,0|0,0,2]=4
15  B7R0.5  C#CC[C@H](N)C(=O)O CP25643 [0,2,0,0,0,0|0,0,2]=4
16  B7R0.5  C=CCC(N)C(=O)O CP02601 [0,2,0,0,0,0|0,0,2]=4
17  B7R0.5  C=CC[C@@H](N)C(=O)O CP02603 [0,2,0,0,0,0|0,0,2]=4
18  B7R0.5  C=CC[C@H](N)C(=O)O CP02602 [0,2,0,0,0,0|0,0,2]=4
19  B7R0.5  C=CC[C@H](N)C(=O)O CP25426 [0,2,0,0,0,0|0,0,2]=4
20  B7R0.5  CCC[C@@H](N)C(=O)O CP25568 [0,2,0,0,0,0|0,0,0]=2
21  B7R0.5  CCC[C@H](N)C(=O)O CP08602 [0,2,0,0,0,0|0,0,0]=2
22  B7R0.5  CCC[C@H](N)C(N)=O CP26135 [0,2,0,0,0,0|0,0,0]=2
23  B7R0.5  CSC[C@H](N)C(=O)O CP08101 [0,2,0,0,0,0|1,0,0]=3
24  B7R0.5  N#CC[C@H](N)C(=O)O CP25947 [0,2,0,0,0,0|1,0,1]=4
25  B7R0.5  NC(CCO)C(=O)O CP06601 [0,2,0,0,0,0|1,0,0]=3
26  B7R0.5  NCCC(N)C(=O)O CP05302 [0,2,0,0,0,0|1,0,0]=3
27  B7R0.5  NCC[C@@H](N)C(=O)O CP05301 [0,2,0,0,0,0|1,0,0]=3
28  B7R0.5  NCC[C@@H](N)C(=O)O CP05304 [0,2,0,0,0,0|1,0,0]=3
29  B7R0.5  N[C@@H](CCO)C(=O)O CP06602 [0,2,0,0,0,0|1,0,0]=3
30  B7R0.5  N[C@@H](CCS)C(=O)O CP06302 [0,2,0,0,0,0|1,0,0]=3
31  B7R0.5  N[C@H](CCO)C(=O)O CP25926 [0,2,0,0,0,0|1,0,0]=3
32  B7R0.10  CC[C@H](C)[C@H](N)CO CP26323 [0,2,0,0,0,0|0,0,2]=4
33  B7R0.4  C#CCNCC(=O)O CP25644 [0,2,0,0,0,0|0,0,2]=4
34  B7R0.4  C=CCNCC(=O)O CP25888 [0,2,0,0,0,0|0,0,2]=4
35  B7R0.4  NCCCCC(=O)O CP04601 [0,2,0,0,0,0|0,0,0]=2
36  B7R0.4  NCCNCC(=O)O CP26849 [0,2,0,0,0,0|1,0,0]=3
37  B7R0.6  CC(=O)NCC(=O)O CP00902 [0,2,0,0,0,0|1,0,1]=4
38  B7R1.3  O=C1CCSCC1 HB00136 [0,1,0,1,0,0|0,0,0]=2
39  B7R1.4  NC1CONC1=O CP21603 [0,1,0,1,0,0|2,0,0]=4
40  B7R1.4  N[C@@H]1CONC1=O CP21601 [0,1,0,1,0,0|2,0,0]=4
41  B7R1.4  N[C@H]1CCOC1=O CP25620 [0,1,0,1,0,0|1,0,0]=3
42  B7R1.4  N[C@H]1CONC1=O CP21602 [0,1,0,1,0,0|2,0,0]=4
43  B7R1.18  O=C(O)C1CNC1 CP20401 [0,1,0,1,0,0|1,0,0]=3
44  B7R1.18  O=C(O)[C@@H]1CCN1 CP20301 [0,1,0,1,0,0|1,0,0]=3