0  B10R1.4  CCOC1=C(N)N=CC=C1 B050894 [1,0,0,0,0,0|3,0,0]=4
1  B10R1.18  CC(N)CC1=CC=CC=N1 B037029 [1,0,0,0,0,0|2,0,0]=3
2  B12R1.75  CN(C)CC1=C(CN)C=CC=C1 B059689 [0,1,0,0,0,0|3,0,0]=4
3  B10R1.64  CC(=O)CN1N=CC=C1C B021106 [0,0,0,0,1,0|2,0,1]=4
4  B10R1.64  CC(C)CN1N=CC=C1Br B051944 [0,0,0,0,1,0|2,0,0]=3
5  B10R1.64  CC(C)CN1N=CC=C1I B052013 [0,0,0,0,1,0|2,0,0]=3
6  B10R1.64  CC(C)CN1N=CC=C1N B024272 [0,0,0,0,1,0|2,0,0]=3
7  B10R1.64  CC(N)CC1=CC=NN1C B051165 [0,0,0,0,1,0|2,0,0]=3
8  B10R1.64  CC1=CC=NN1CC(C)C B036506 [0,0,0,0,1,0|1,0,0]=2
9  B10R1.64  CC1=CC=NN1CC(F)F B035862 [0,0,0,0,1,0|3,0,0]=4
10  B12R1.125  CC1=C(CNC(C)C)C=CC=C1 B059710 [0,0,0,0,0,1|2,0,0]=3
11  B9R1.8  BrCCC1=NC=CC=C1 B050856 [2,0,0,0,0,0|2,0,0]=4
12  B9R1.8  CNCC1=CC=CC=N1 B059678 [2,0,0,0,0,0|2,0,0]=4
13  B9R1.8  CNCC1=NC=CN=C1 B050431 [2,0,0,0,0,0|1,0,0]=3
14  B9R1.8  ClCCC1=NC=CC=C1 B050813 [2,0,0,0,0,0|2,0,0]=4
15  B9R1.15  CC1=C(CBr)N=CC=C1 B016007 [2,0,0,0,0,0|2,0,0]=4
16  B9R1.15  CC1=C(CBr)N=CC=C1 B062311 [2,0,0,0,0,0|2,0,0]=4
17  B11R1.40  CNC(C)CC1=CN=CC=N1 B037035 [1,1,0,0,0,0|0,0,0]=2
18  B11R1.57  CC(C)CN1N=CC=C1C=O B052388 [0,1,0,0,1,0|1,0,1]=4
19  B11R1.57  CC(C)CN1N=CC=C1CO B062162 [0,1,0,0,1,0|1,0,0]=3
20  B11R1.228  CC1=CC=NN1CC(C)CN B024101 [0,1,0,0,1,0|1,0,0]=3
21  B11R1.313  CC1=C(I)C=NN1CC(C)C B047789 [0,1,0,0,1,0|1,0,0]=3
22  B11R1.495  CC1=C(CC(C)N)N(C)N=C1 B051169 [0,1,0,0,1,0|2,0,0]=4
23  B11R1.645  CC(C)CN1N=C(Br)C=C1N B062326 [0,1,0,0,1,0|2,0,0]=4
24  B11R1.645  CC(C)CN1N=C(I)C=C1N B062333 [0,1,0,0,1,0|2,0,0]=4
25  B11R1.645  CC(C)CN1N=C(N)C=C1Br B062351 [0,1,0,0,1,0|2,0,0]=4
26  B11R1.645  CC(C)CN1N=C(N)C=C1I B062369 [0,1,0,0,1,0|2,0,0]=4
27  B11R1.645  CC1=C(CC(C)C)NC(=S)N1 B049510 [0,1,0,0,1,0|0,0,2]=4
28  B11R1.645  CC1=CC(C)=NN1CC(C)N B021101 [0,1,0,0,1,0|2,0,0]=4
29  B11R1.645  CC1=CC(N)=NN1CC(C)C B024278 [0,1,0,0,1,0|1,0,0]=3
30  B11R1.645  CC1=NN(C)C=C1CC(C)N B006611 [0,1,0,0,1,0|2,0,0]=4
31  B11R1.645  CC1=NN(CC(C)C)C(N)=C1 B024299 [0,1,0,0,1,0|2,0,0]=4
32  B11R1.645  CN(C)CC1=CC(N)=NN1C B058258 [0,1,0,0,1,0|2,0,0]=4
33  B9R1.33  CC1=CC=NN1CCF B051641 [1,0,0,0,1,0|2,0,0]=4
34  B9R1.33  CC1=CC=NN1CCN B023879 [1,0,0,0,1,0|2,0,0]=4
35  B9R1.33  CCCN1N=CC=C1Br B052586 [1,0,0,0,1,0|2,0,0]=4
36  B9R1.33  CCCN1N=CC=C1C B030312 [1,0,0,0,1,0|1,0,0]=3
37  B9R1.33  CCCN1N=CC=C1I B051811 [1,0,0,0,1,0|2,0,0]=4
38  B9R1.33  CN1C=CN=C1CCN B059762 [1,0,0,0,1,0|2,0,0]=4
39  B9R1.33  CN1N=CC=C1CCN B047655 [1,0,0,0,1,0|2,0,0]=4
40  B9R1.33  CNCC1=C(C)N=CS1 B059739 [1,0,0,0,1,0|2,0,0]=4
41  B9R1.33  CNCC1=CC=NN1C B007412 [1,0,0,0,1,0|2,0,0]=4
42  B9R1.33  CNCC1=NON=C1C B049078 [1,0,0,0,1,0|2,0,0]=4
43  B9R1.33  COCC1=CC=NN1C B057755 [1,0,0,0,1,0|2,0,0]=4
44  B9R1.13  CC(C)CN1C=CC=N1 B034864 [1,0,0,0,1,0|1,0,0]=3
45  B9R1.13  CC(N)CC1=CC=CO1 B030489 [1,0,0,0,1,0|2,0,0]=4
46  B9R1.13  CC(N)CN1C=CC=N1 B021100 [1,0,0,0,1,0|2,0,0]=4
47  B9R1.13  CC(N)CN1C=CN=C1 B049820 [1,0,0,0,1,0|2,0,0]=4
48  B9R1.13  CC(N)CN1C=NC=N1 B050434 [1,0,0,0,1,0|2,0,0]=4
49  B9R1.13  CC(O)CN1C=CC=N1 B022021 [1,0,0,0,1,0|2,0,0]=4
50  B9R1.41  CC(C)C1=CC=NN1C B063577 [0,0,0,0,2,0|1,0,0]=3
51  B9R1.41  CC(C)C1=NNC=C1Br B063589 [0,0,0,0,2,0|2,0,0]=4
52  B9R1.41  CC(C)C1=NNC=C1I B047692 [0,0,0,0,2,0|2,0,0]=4
53  B9R1.41  CC(C)N1N=CC=C1Br B051192 [0,0,0,0,2,0|2,0,0]=4
54  B9R1.41  CC(C)N1N=CC=C1I B051208 [0,0,0,0,2,0|2,0,0]=4
55  B9R1.41  CC(C)N1N=CC=C1N B024270 [0,0,0,0,2,0|2,0,0]=4
56  B9R1.41  CC(C)N1N=CN=C1Br B051950 [0,0,0,0,2,0|2,0,0]=4
57  B9R1.41  CC(N)C1=CC=NN1C B019556 [0,0,0,0,2,0|2,0,0]=4
58  B9R1.41  CC1=CC=NN1C(C)C B036101 [0,0,0,0,2,0|1,0,0]=3