0  B5R0.3  CNC(=O)CBr BB0220603 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.3  CO[C@@H](C)CN BB0220352 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.3  CO[C@@H](C)CN BB0290080 [0,0,0,0,0,0|2,0,2]=4
3  B5R0.3  CO[C@@H](C)CO BB0262966 [0,0,0,0,0,0|2,0,2]=4
4  B4R0.1  CCC(=N)N BB0263021 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  C\C(N)=N\O BB0241915 [1,0,0,0,0,0|3,0,0]=4
6  B4R0.1  NCC(=O)O BB0265974 [1,0,0,0,0,0|1,0,1]=3
7  B4R0.2  C=CCNC BB0263010 [1,0,0,0,0,0|1,0,1]=3
8  B4R0.2  COCCO BB0268028 [1,0,0,0,0,0|1,0,2]=4
9  B6R0.1  CCCC(=O)NN BB0240969 [0,1,0,0,0,0|3,0,0]=4
10  B6R0.1  CCNC(=O)CBr BB0258309 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.1  CNC(=O)CC#N BB0240860 [0,1,0,0,0,0|1,0,2]=4
12  B6R0.3  CN(C)C(=O)CBr BB0254000 [0,1,0,0,0,0|2,0,1]=4
13  B6R0.3  CO[C@@H](C)C(N)=O BB0287968 [0,1,0,0,0,0|2,0,1]=4
14  B6R1.2  BrC1=CC=NN1 BB0269359 [0,0,0,1,0,0|3,0,0]=4
15  B6R1.2  NC1=CC=CS1 BB0248296 [0,0,0,1,0,0|1,1,1]=4
16  B6R1.2  NC1=CC=NN1 BB0219775 [0,0,0,1,0,0|3,0,0]=4
17  B6R1.2  NC1=NNC=C1 BB0241798 [0,0,0,1,0,0|3,0,0]=4
18  B6R1.2  O=C1CCOC1 BB0268417 [0,0,0,1,0,0|2,0,1]=4
19  B6R1.2  O=C1NC=CN1 BB0265892 [0,0,0,1,0,0|2,0,1]=4
20  B3R0.1  O=CC=O BB0268084 [2,0,0,0,0,0|1,0,0]=3
21  B3R0.2  C=C(C)Br BB0272402 [2,0,0,0,0,0|1,0,0]=3
22  B3R0.2  C=[N+](C)C BB0263006 [2,0,0,0,0,0|2,0,0]=4
23  B3R0.2  NC(N)=O BB0269740 [2,0,0,0,0,0|2,0,0]=4
24  B5R0.1  C\C=C\C(N)=O BB0256989 [1,1,0,0,0,0|1,0,0]=3
25  B5R0.2  C=CCCCN BB0270548 [1,1,0,0,0,0|1,0,1]=4
26  B7R0.3  CCOCC(=O)NN BB0289859 [0,2,0,0,0,0|2,0,0]=4
27  B7R0.5  CCOC(=O)[C@H](C)Cl BB0268048 [0,2,0,0,0,0|0,0,2]=4
28  B7R0.5  CCOC(=O)[C@H](C)N BB0265943 [0,2,0,0,0,0|0,0,2]=4
29  B7R0.7  [C-]#[N+]CC(=O)OCC BB0262985 [0,2,0,0,0,0|0,0,2]=4
30  B7R0.10  CO[C@@H](C)C(=O)NN BB0289129 [0,2,0,0,0,0|2,0,0]=4
31  B5R1.2  O=C1COC1 BB0263332 [1,0,0,1,0,0|1,0,1]=4
32  B5R1.1  C1=CON=C1 BB0267789 [1,0,0,1,0,0|1,0,0]=3
33  B7R1.1  O=CC1=CC=CN1 BB0269480 [0,1,0,1,0,0|1,0,1]=4
34  B7R1.1  O=CC1=CC=CS1 BB0268058 [0,1,0,1,0,0|0,1,1]=4
35  B7R1.1  O=CC1=NNC=C1 BB0267966 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.2  BrC1=CC=C(Br)O1 BB0267741 [0,1,0,1,0,0|1,0,1]=4
37  B7R1.2  C=C1C=CC(=O)O1 BB0268541 [0,1,0,1,0,0|0,0,1]=3
38  B7R1.2  CC1=CC=C(N)S1 BB0260663 [0,1,0,1,0,0|1,1,0]=4
39  B7R1.2  CC1=NN(C)C=C1 BB0253271 [0,1,0,1,0,0|2,0,0]=4
40  B7R1.2  CC1=NOC(N)=C1 BB0269424 [0,1,0,1,0,0|2,0,0]=4
41  B7R1.2  CN1C=CC(N)=N1 BB0269627 [0,1,0,1,0,0|2,0,0]=4
42  B7R1.2  O=C1CSC(=O)N1 BB0255316 [0,1,0,1,0,0|1,1,0]=4
43  B7R1.3  O=C1COCCN1 BB0261379 [0,1,0,1,0,0|1,0,1]=4
44  B7R1.4  CC1=CC=NN1C BB0254793 [0,1,0,1,0,0|2,0,0]=4
45  B7R1.22  COC(=O)C1CC1 BB0268032 [0,1,0,1,0,0|0,0,2]=4