0  B6R0.3  CC(CO)[N+](=O)[O-] BB12-1675 [0,0,0,0,0,0|2,1,1]=4
1  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.3  NC(=O)\C(N)=N\O BB12-3387 [0,0,0,0,0,0|2,1,1]=4
3  B5R0.1  CNCC(C)=O BB12-3010 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.3  CC\C(N)=N\O BB12-3467 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.5  CC(Cl)C(N)=O BB12-1307 [1,0,0,0,0,0|2,0,0]=3
6  B7R0.5  CC(NC=O)C(=O)O BB12-1345 [0,1,0,0,0,0|1,1,1]=4
7  B7R0.5  CCSC(C)C(=O)O BB12-3261 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.5  CNCC(C)C(=O)O BB12-1637 [0,1,0,0,0,0|2,0,0]=3
9  B7R0.13  CCC(C)(N)C(=O)O BB56-0974 [0,1,0,0,0,0|1,0,0]=2
10  B7R0.16  CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,0,0|1,1,1]=4
11  B7R0.16  CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,0|3,0,0]=4
12  B7R1.4  NC1CCNC1=O BB12-2184 [0,0,0,1,0,0|2,0,0]=3
13  B7R1.18  NC(=O)C1CCC1 BB12-3033 [0,0,0,1,0,0|3,0,0]=4
14  B7R0.2  CCN(C)CC(=O)O BB12-1321 [0,0,0,0,0,1|3,0,0]=4
15  B7R0.2  CNC(C)CC(=O)O BB12-1285 [0,0,0,0,0,1|3,0,0]=4
16  B4R0.1  C\C(N)=N\O BB53-1937 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.1  CCC\C(N)=N\O BB10-0037 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.1  CNC(=O)CCCl BB12-1619 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.1  CNC(=O)CCN BB12-1715 [1,1,0,0,0,0|2,0,0]=4
20  B6R0.1  CNC(=O)CCO BB12-3660 [1,1,0,0,0,0|1,1,0]=4
21  B6R0.1  COC(=O)CCN BB12-2761 [1,1,0,0,0,0|1,0,0]=3
22  B6R0.1  COC(=O)CCO BB12-1300 [1,1,0,0,0,0|0,1,0]=3
23  B6R0.1  N\C(CCO)=N/O BB12-3471 [1,1,0,0,0,0|1,1,0]=4
24  B6R0.2  CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|1,0,0]=3
25  B6R0.4  CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|1,0,0]=3
26  B6R0.4  CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|1,0,0]=3
27  B6R0.4  COCCC(=O)Cl BB20-1617 [1,1,0,0,0,0|1,1,0]=4
28  B6R0.4  CSCCC(=N)N BB12-3715 [1,1,0,0,0,0|2,0,0]=4
29  B6R0.8  CCC(C)(N)CO BB56-2220 [1,1,0,0,0,0|1,0,1]=4
30  B8R0.5  CCCC(N)CC(=O)O BB12-1701 [0,1,0,0,0,1|1,0,0]=3
31  B8R0.8  C=CCSC(C)C(=O)O BB12-3266 [0,2,0,0,0,0|2,0,0]=4
32  B8R0.8  CCCC[C@H](N)C(=O)O BB12-2277 [0,2,0,0,0,0|1,0,0]=3
33  B8R0.13  CCC(C)(N)C(=O)OC BB56-0964 [0,2,0,0,0,0|1,0,0]=3
34  B8R0.18  CCC(C(=O)O)N(C)C BB12-3549 [0,2,0,0,0,0|1,0,0]=3
35  B8R1.5  O=C1OCCCC1Br BB17-3008 [0,1,0,1,0,0|2,0,0]=4
36  B8R1.7  NC(=O)[C@@H]1CCCN1 BB12-3488 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.38  COC(=O)C1CCC1 BB12-2967 [0,1,0,1,0,0|2,0,0]=4