0  B5R0.1  CCOC(C)=N BB12-3674 [0,0,0,0,0,0|1,0,2]=3
1  B5R0.1  CNCC(C)=O BB12-3010 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.1  C#CC(=O)OCC BB53-1426 [0,1,0,0,0,0|0,0,3]=4
4  B6R0.1  CNC(=O)CC#N BB12-1423 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.1  CNC(=O)CCCl BB12-1619 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.1  CNC(=O)CCN BB12-1715 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.1  CNC(=O)CCO BB12-3660 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.1  COC(=O)CCN BB12-2761 [0,1,0,0,0,0|2,0,1]=4
9  B6R0.1  COC(=O)CCO BB12-1300 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.2  CC(=O)NC(=N)N BB56-2578 [0,1,0,0,0,0|2,0,0]=3
11  B6R0.4  C=CCNC(C)C BB12-1319 [0,1,0,0,0,0|2,0,1]=4
12  B6R1.2  CC1=CC=NN1 BB56-1939 [0,0,0,1,0,0|3,0,0]=4
13  B6R1.2  CC1=NC=CS1 BB20-4630 [0,0,0,1,0,0|1,1,0]=3
14  B6R1.2  CC1=NNC=N1 BB12-3430 [0,0,0,1,0,0|3,0,0]=4
15  B6R1.2  NC1=NC=CS1 BB17-0298 [0,0,0,1,0,0|2,1,0]=4
16  B3R0.1  NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4
17  B3R0.2  CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4
18  B5R0.2  O=CNNC=O BB12-1708 [1,1,0,0,0,0|2,0,0]=4
19  B7R0.3  C=CCNC(=O)CCl BB17-2019 [0,2,0,0,0,0|1,0,0]=3
20  B7R0.3  CCO\C=C(\C)C=O BB12-3547 [0,2,0,0,0,0|0,0,2]=4
21  B7R0.7  CCOC(=O)CCO BB12-1446 [0,2,0,0,0,0|0,0,2]=4
22  B7R0.4  C=CCSCC(=O)O BB12-3265 [0,2,0,0,0,0|1,1,0]=4
23  B7R0.6  C=C(C)COC(C)=O BB12-2984 [0,2,0,0,0,0|0,0,0]=2
24  B7R0.6  CC(=O)OCC(=O)Cl BB12-3445 [0,2,0,0,0,0|0,0,1]=3
25  B5R1.2  O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,1]=4
26  B7R1.1  NCC1=NC=CN1 BB12-2726 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.2  CC1=CC(C)=NO1 BB01-6357 [0,1,0,1,0,0|1,0,1]=4
28  B7R1.2  CC1=NC(Br)=NO1 BB12-3504 [0,1,0,1,0,0|2,0,0]=4
29  B7R1.2  CC1=NC(N)=NO1 BB12-3450 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.2  CC1=NN=C(O)O1 BB12-2756 [0,1,0,1,0,0|2,0,0]=4
31  B7R1.2  CC1=NN=C(S)O1 BB12-2764 [0,1,0,1,0,0|2,0,0]=4
32  B7R1.2  CC1=NOC(N)=C1 BB12-3489 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.2  CC1=NOC(N)=N1 BB12-3433 [0,1,0,1,0,0|2,0,0]=4
34  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|1,0,1]=4
35  B7R1.2  O=C1CNC(=S)N1 BB20-3124 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.3  CC1=CC=NC=N1 BB17-0193 [0,1,0,1,0,0|2,0,0]=4
37  B7R1.4  CC1=C(Br)SC=C1 BB56-2325 [0,1,0,1,0,0|1,1,0]=4