0  B5R0.1  CC(C)CNN BB58-2806 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  CC(C)N=C=O BB58-3549 [0,0,0,0,0,0|1,1,2]=4
2  B5R0.1  CC(C)N=C=S BB01-6321 [0,0,0,0,0,0|1,0,3]=4
3  B5R0.1  CCCC(=N)N BB01-7895 [0,0,0,0,0,0|3,0,1]=4
4  B5R0.1  CCNC(N)=S BB20-1166 [0,0,0,0,0,0|4,0,0]=4
5  B4R0.1  CC(=O)NN BB01-6190 [1,0,0,0,0,0|3,0,0]=4
6  B4R0.1  CCC(N)=S BB58-4261 [1,0,0,0,0,0|2,0,1]=4
7  B4R0.1  CNC(N)=S BB20-1194 [1,0,0,0,0,0|3,0,0]=4
8  B4R0.1  COC(=S)[S-] BB57-1615 [1,0,0,0,0,0|3,0,0]=4
9  B4R0.1  NC(=O)CO BB58-4485 [1,0,0,0,0,0|2,1,0]=4
10  B4R0.2  CNCCO BB53-1758 [1,0,0,0,0,0|1,1,1]=4
11  B4R0.2  COCCBr BB58-3144 [1,0,0,0,0,0|2,0,1]=4
12  B4R0.2  COCCN BB17-0802 [1,0,0,0,0,0|2,0,1]=4
13  B6R0.1  CCNC(=O)CCl BB20-1611 [0,1,0,0,0,0|3,0,0]=4
14  B6R0.1  CNC(=O)CCN BB32-2825 [0,1,0,0,0,0|2,0,1]=4
15  B6R0.2  CC(C)=CC(=O)Cl BB20-1413 [0,1,0,0,0,0|0,1,1]=3
16  B6R0.2  CC(C)CC(C)N BB01-6378 [0,1,0,0,0,0|1,0,2]=4
17  B6R0.3  CN(C)C(=O)CCl BB20-1610 [0,1,0,0,0,0|2,0,0]=3
18  B6R0.4  CC(=O)NCCN BB20-2208 [0,1,0,0,0,0|2,0,1]=4
19  B6R0.4  CC(C)CCC=O BB58-4980 [0,1,0,0,0,0|0,1,2]=4
20  B6R0.4  CC(C)NCCN BB57-0247 [0,1,0,0,0,0|1,0,2]=4
21  B6R0.4  CC(C)OCCO BB01-5911 [0,1,0,0,0,0|0,1,2]=4
22  B6R0.4  CNCCN(C)C BB01-5604 [0,1,0,0,0,0|2,0,1]=4
23  B6R0.5  CC(C)(N)CCO BB01-4028 [0,1,0,0,0,0|0,1,2]=4
24  B6R1.2  CC1=CC=NN1 BB01-4929 [0,0,0,1,0,0|2,0,1]=4
25  B6R1.2  CC1=CNN=C1 BB57-1550 [0,0,0,1,0,0|2,0,1]=4
26  B6R1.2  CC1=NNCC1 BB57-2058 [0,0,0,1,0,0|2,0,1]=4
27  B6R1.2  O=C1CCSC1 BB01-8335 [0,0,0,1,0,0|1,0,1]=3
28  B6R1.11  CC(=O)C1CC1 BB01-6094 [0,0,0,1,0,0|2,0,1]=4
29  B3R0.1  CNNC BB57-2004 [2,0,0,0,0,0|2,0,0]=4
30  B5R0.3  CNC(=O)CCl BB20-1612 [1,1,0,0,0,0|2,0,0]=4
31  B5R0.3  CNC(=O)CN BB58-0122 [1,1,0,0,0,0|2,0,0]=4
32  B5R0.3  COC(=O)CN BB17-0807 [1,1,0,0,0,0|2,0,0]=4
33  B5R0.4  CC(C)(C)C=O BB17-2240 [1,1,0,0,0,0|0,1,1]=4
34  B5R0.5  CC(C)C(N)=O BB01-6147 [1,1,0,0,0,0|0,1,1]=4
35  B5R0.5  CC(C)C(N)=S BB01-7896 [1,1,0,0,0,0|0,0,2]=4
36  B5R0.5  CN(C)C(N)=S BB55-6887 [1,1,0,0,0,0|1,0,1]=4
37  B7R0.2  CC(C)NC(=O)CCl BB01-5507 [0,2,0,0,0,0|1,0,1]=4
38  B7R0.3  COC(=O)CCSC BB01-5905 [0,2,0,0,0,0|1,0,1]=4
39  B7R0.5  C=C(C)C(=O)NCO BB57-4784 [0,2,0,0,0,0|0,1,1]=4
40  B5R1.3  BrCC1CC1 BB58-0270 [1,0,0,1,0,0|1,0,1]=4
41  B5R1.3  NCC1CC1 BB55-3609 [1,0,0,1,0,0|1,0,1]=4
42  B7R1.1  COC1=NCCC1 BB57-3196 [0,1,0,1,0,0|2,0,0]=4
43  B7R1.3  O=C1CCSCC1 BB53-1260 [0,1,0,1,0,0|1,0,1]=4
44  B7R1.4  CC1=CC=NN1C BB55-3441 [0,1,0,1,0,0|1,0,1]=4