0  B5R0.5  CC(=O)C(N)=O BB32-3571 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.3  CC(C#N)C(=O)O BB32-3033 [0,1,0,0,0,0|2,0,1]=4
2  B6R0.3  CC[C@@H](C)C(=O)O BB31-4656 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.3  CC[C@@H](O)C(=O)O BB31-3920 [0,1,0,0,0,0|1,0,2]=4
4  B6R0.3  CN(C)C(=O)CI BB31-8712 [0,1,0,0,0,0|2,0,0]=3
5  B6R0.3  NC[C@@H](N)C(=O)O BB31-4003 [0,1,0,0,0,0|2,0,1]=4
6  B6R1.11  O=C(O)C1CO1 BB31-6282 [0,0,0,1,0,0|1,0,2]=4
7  B6R1.11  O=C([O-])[C@H]1CO1 BB31-6739 [0,0,0,1,0,0|1,0,2]=4
8  B5R0.1  CC(=O)CCBr BB31-4479 [1,1,0,0,0,0|0,0,1]=3
9  B5R0.1  COCC(N)=O BB31-3207 [1,1,0,0,0,0|1,0,1]=4
10  B5R0.1  O=C(O)CCF BB32-2513 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.1  O=C(O)\C=C\Br BB31-5400 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.3  CCC(=O)CN BB31-8248 [1,1,0,0,0,0|0,0,1]=3
13  B5R0.3  O=C[C@H](O)CO BB31-6122 [1,1,0,0,0,0|0,0,2]=4
14  B7R0.10  COC(=O)C(C)CN BB31-6417 [0,2,0,0,0,0|1,0,1]=4
15  B7R0.10  COC(=O)[C@@H](C)CBr BB31-6195 [0,2,0,0,0,0|1,0,1]=4
16  B7R0.10  C\C=C(/Br)C(=O)OC BB31-3618 [0,2,0,0,0,0|1,0,0]=3
17  B7R0.13  CC(=O)C(C)(C)CO BB32-0806 [0,2,0,0,0,0|0,0,2]=4
18  B7R0.14  CC(C)(C)C(=O)CO BB32-2137 [0,2,0,0,0,0|1,0,1]=4
19  B7R1.2  C[C@@H]1CCC(=O)N1 BB31-7724 [0,0,0,1,0,1|1,0,1]=4
20  B7R1.2  C[C@H]1CCC(=O)N1 BB31-2966 [0,0,0,1,0,1|1,0,1]=4
21  B7R1.2  NC1=CC(=O)CC1 BB31-4485 [0,0,0,1,0,1|1,0,0]=3
22  B7R1.2  O=C1CCC(O)C1 BB31-4994 [0,0,0,1,0,1|0,0,2]=4
23  B7R1.2  O=C1CNC(=O)C1 BB58-3126 [0,0,0,1,0,1|1,0,0]=3
24  B7R1.2  O=C1CSC(=S)N1 BB52-8577 [0,0,0,1,0,1|1,1,0]=4
25  B7R1.16  CC1(C)CC(=O)N1 BB32-2836 [0,0,0,1,0,1|1,0,1]=4
26  B7R1.4  CC1=C(C)OC=N1 BB31-4084 [0,1,0,1,0,0|1,0,1]=4
27  B7R1.4  NC1CCNC1=O BB31-0754 [0,1,0,1,0,0|1,0,1]=4
28  B7R1.4  NC1CCOC1=O BB52-6516 [0,1,0,1,0,0|1,0,1]=4
29  B7R1.18  CC(=O)N1CCC1 BB32-2755 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.18  O=C(O)C1=CCC1 BB32-1171 [0,1,0,1,0,0|2,0,0]=4
31  B7R0.6  CC(=O)NCC(C)O BB31-7690 [0,0,0,0,0,2|0,0,2]=4
32  B7R0.6  CC(=O)NNC(C)C BB32-2318 [0,0,0,0,0,2|1,0,1]=4
33  B7R0.6  CC(=O)\C=C\C(=O)O BB31-4699 [0,0,0,0,0,2|1,0,0]=3