0  B9R1.23  CC1=C(C)SC(NN)=N1 BB55-6523 [0,0,0,0,0,0|2,1,0]=3
1  B9R1.23  CC1=CC(CO)=NN1C BB20-2297 [0,0,0,0,0,0|3,0,0]=3
2  B9R1.23  CCN1C=C(N)C(C)=N1 BB05-2381 [0,0,0,0,0,0|3,0,0]=3
3  B8R1.1  CC1=CC(CO)=NO1 BB05-4135 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.1  CC1=CC=C(CN)O1 BB55-3608 [1,0,0,0,0,0|2,0,0]=3
5  B8R1.1  CC1=NC(CCl)=CS1 BB58-0514 [1,0,0,0,0,0|3,0,0]=4
6  B8R1.1  CCC1=NC(Cl)=NN1 BB55-7509 [1,0,0,0,0,0|3,0,0]=4
7  B8R1.1  CCC1=NC(N)=NN1 BB55-5148 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.1  CCN1C=C(N)C=N1 BB05-4405 [1,0,0,0,0,0|3,0,0]=4
9  B8R1.1  CCN1C=CC(N)=N1 BB05-1353 [1,0,0,0,0,0|3,0,0]=4
10  B8R1.1  COC1=NC(C)=CS1 BB58-3260 [1,0,0,0,0,0|1,1,0]=3
11  B8R1.18  CC1=CC(C)=NN1C BB55-3446 [1,0,0,0,0,0|2,0,0]=3
12  B8R1.18  CC1=NN(C)C(N)=C1 BB01-4188 [1,0,0,0,0,0|3,0,0]=4
13  B8R1.18  CC1=NN(C)C(N)=C1 BB05-2497 [1,0,0,0,0,0|3,0,0]=4
14  B10R1.35  CCN1C=C(C=O)C(C)=N1 BB05-0132 [0,1,0,0,0,0|2,0,1]=4
15  B10R1.8  COC1=NC(N)=NC(C)=N1 BB01-4076 [0,0,0,0,0,1|3,0,0]=4
16  B10R1.8  CSC1=NC(N)=NC(C)=N1 BB52-6938 [0,0,0,0,0,1|3,0,0]=4
17  B10R1.176  CC1=C(C)C=C(CN)C=C1 BB55-3607 [0,0,0,0,0,1|3,0,0]=4
18  B7R1.1  CCN1C=CC=N1 BB01-5044 [2,0,0,0,0,0|2,0,0]=4
19  B7R1.1  OCC1=NC=CS1 BB17-2991 [2,0,0,0,0,0|1,1,0]=4
20  B7R1.2  CC1=CN=C(N)S1 BB01-6075 [2,0,0,0,0,0|1,1,0]=4
21  B7R1.2  CC1=CNC(C)=N1 BB58-1932 [2,0,0,0,0,0|1,0,0]=3
22  B7R1.2  CC1=COC(N)=N1 BB01-7949 [2,0,0,0,0,0|1,0,0]=3
23  B7R1.2  CC1=CSC(N)=N1 BB01-6255 [2,0,0,0,0,0|1,1,0]=4
24  B7R1.2  CC1=NN(C)C=C1 BB01-5082 [2,0,0,0,0,0|2,0,0]=4
25  B7R1.4  CC1=C(C)NC=N1 BB58-2823 [2,0,0,0,0,0|1,0,0]=3
26  B7R1.4  CC1=CC=NN1C BB55-3441 [2,0,0,0,0,0|2,0,0]=4
27  B7R1.4  CC1=NC=CN1C BB58-1097 [2,0,0,0,0,0|2,0,0]=4
28  B9R1.7  CC1=CSC(CCN)=N1 BB58-4488 [1,1,0,0,0,0|0,1,0]=3
29  B9R1.7  CNCC1=CC=C(C)S1 BB55-8316 [1,1,0,0,0,0|1,1,0]=4
30  B9R1.21  CCC1=CC=C(C=O)O1 BB01-6282 [1,1,0,0,0,0|1,0,1]=4
31  B9R1.21  CCC1=NC(CO)=NO1 BB58-5061 [1,1,0,0,0,0|1,0,0]=3
32  B9R1.21  CCN1C=C(CN)C=N1 BB05-0825 [1,1,0,0,0,0|2,0,0]=4
33  B9R1.21  CCN1C=C(CO)C=N1 BB05-0302 [1,1,0,0,0,0|2,0,0]=4
34  B9R1.22  CCN1N=C(C)C=C1C BB01-4928 [1,1,0,0,0,0|2,0,0]=4
35  B9R1.35  CC(=O)C1=CC=C(C)O1 BB55-2250 [1,1,0,0,0,0|1,0,1]=4
36  B9R1.35  CC(C)C1=NC(I)=CN1 BB58-4144 [1,1,0,0,0,0|2,0,0]=4
37  B9R1.35  CC(C)C1=NC(N)=NO1 BB58-5052 [1,1,0,0,0,0|2,0,0]=4
38  B9R1.37  CC1=NN(C)C(C)=C1Br BB55-3447 [1,1,0,0,0,0|2,0,0]=4
39  B9R1.37  CC1=NN(C)C(C)=C1I BB57-7226 [1,1,0,0,0,0|2,0,0]=4
40  B11R1.34  CCNC1=CC(C)=CC(C)=C1 BB01-3193 [0,1,0,0,0,1|2,0,0]=4
41  B11R1.21  CC1=C(C)C=C(C(C)N)C=C1 BB01-4883 [0,1,0,0,0,1|2,0,0]=4
42  B11R1.978  CCN1N=C(C)C(CN)=C1C BB01-4710 [0,2,0,0,0,0|2,0,0]=4
43  B11R1.185  CCN1C=C(CNC)C(C)=N1 BB01-6842 [0,2,0,0,0,0|2,0,0]=4
44  B11R1.231  CC1=C(C)SC(CCCN)=N1 BB58-3613 [0,2,0,0,0,0|0,1,0]=3
45  B9R1.69  CC1=CC=C(C)C(C)=N1 BB01-6542 [0,0,1,1,0,0|1,0,1]=4
46  B9R1.1  CCC1=CC=C(C)N=C1 BB01-6153 [1,0,0,0,0,1|1,0,0]=3
47  B9R1.34  CC1=CC(C)=NC(Cl)=N1 BB01-3989 [1,0,0,0,0,1|2,0,0]=4
48  B9R1.34  CC1=CC(C)=NC(N)=N1 BB01-6193 [1,0,0,0,0,1|2,0,0]=4
49  B9R1.34  CC1=CC(N)=NC(C)=N1 BB01-7928 [1,0,0,0,0,1|2,0,0]=4