0  B9R1.23  CC1=C(C)SC(C=O)=N1 8H15-1-0K [0,0,0,0,0,0|1,0,3]=4
1  B9R1.23  CC1=C(C)SC(CO)=N1 8H01-1-0D [0,0,0,0,0,0|1,0,2]=3
2  B9R1.23  CNC1=NC(C)=C(C)S1 7H70-9-0M [0,0,0,0,0,0|1,0,2]=3
3  B8R1.1  CC1=CN=C(CN)S1 7H70-1-4B [1,0,0,0,0,0|1,0,2]=4
4  B8R1.1  CC1=CN=C(CO)S1 8H70-1-N9 [1,0,0,0,0,0|1,0,2]=4
5  B8R1.1  CCC1=NC(Br)=CS1 7H70-9-53 [1,0,0,0,0,0|1,0,2]=4
6  B8R1.1  CCC1=NC(C)=CN1 3H32-1-2Q [1,0,0,0,0,0|1,0,2]=4
7  B8R1.1  CCC1=NC(C)=CS1 7H70-1-26 [1,0,0,0,0,0|0,0,2]=3
8  B8R1.1  CCC1CCC(=O)O1 2H25-1-20 [1,0,0,0,0,0|3,0,0]=4
9  B8R1.1  CCC1OCC(C)O1 2H10-1-39 [1,0,0,0,0,0|1,1,1]=4
10  B8R1.1  CNC1=NC(C)=CS1 7H31-1-0G [1,0,0,0,0,0|1,0,2]=4
11  B8R1.1  CSC1=NC(=O)CS1 8H70-1-2C [1,0,0,0,0,0|2,0,1]=4
12  B8R1.18  CC1=C(C)SC(Br)=N1 7H70-9-0U [1,0,0,0,0,0|1,0,2]=4
13  B8R1.18  CC1=NC(C)=C(C)S1 7H70-1-6D [1,0,0,0,0,0|0,0,2]=3
14  B10R1.34  CCC1OC(C)C(=O)C1=O 2H18-1-0F [0,1,0,0,0,0|2,1,0]=4
15  B10R1.58  CC(=O)C1=NC(C)=C(C)S1 8H17-1-04 [0,1,0,0,0,0|0,0,3]=4
16  B8R0.8  CCCCC(=O)C(C)C 2117-1-0A [0,0,1,0,0,0|3,0,0]=4
17  B8R0.8  CCCCC(C)C(=O)O 2121-1-0S [0,0,1,0,0,0|3,0,0]=4
18  B8R0.8  CCCOC(=O)C(C)O 2129-1-1G [0,0,1,0,0,0|2,1,0]=4
19  B8R0.19  CCC(C)NC(C)CC 3131-1-19 [0,0,1,0,0,0|1,0,2]=4
20  B10R1.176  CCC1=NC(C)=C(C)N=C1 3H32-1-HB [0,0,0,0,0,1|1,0,2]=4
21  B7R0.3  CCCCC(=O)CC 2117-1-03 [1,0,1,0,0,0|2,0,0]=4
22  B7R0.3  CCCCC(C)CC 1100-1-00 [1,0,1,0,0,0|1,0,1]=4
23  B7R0.3  CCCNC(C)CC 3131-1-0D [1,0,1,0,0,0|0,0,2]=4
24  B7R0.3  CC\C(C)=C\CCBr 1300-9-11 [1,0,1,0,0,0|2,0,0]=4
25  B7R0.4  C=C(C)CCCCC 1300-1-36 [1,0,1,0,0,0|2,0,0]=4
26  B7R0.4  CCCCCC(C)=O 2117-1-14 [1,0,1,0,0,0|2,0,0]=4
27  B7R0.5  CCCC(=O)C(C)C 2117-1-0L [1,0,1,0,0,0|2,0,0]=4
28  B7R0.5  CCCC(C)C(=O)O 2121-1-0R [1,0,1,0,0,0|2,0,0]=4
29  B7R0.2  CCC(C)CC(C)C 1100-1-24 [1,0,1,0,0,0|2,0,0]=4
30  B7R1.1  CCC1=NC=CS1 8H70-1-8U [2,0,0,0,0,0|0,0,2]=4
31  B7R1.4  CC1=C(C)SC=N1 7H70-1-2F [2,0,0,0,0,0|0,0,2]=4
32  B7R1.4  CC1SCCC1=O 6H66-1-68 [2,0,0,0,0,0|2,0,0]=4
33  B9R1.35  CC1=NC(C(C)C)CO1 4H44-1-29 [1,1,0,0,0,0|2,0,0]=4
34  B11R1.80  CC1=C(C)SC(CC(C)C)=N1 7H70-1-1J [0,2,0,0,0,0|0,0,2]=4
35  B11R1.80  CC1=NC(CC(C)C)SC1C 7H70-1-6A [0,2,0,0,0,0|0,0,0]=2
36  B9R1.6  CC(=O)C1CCCCC1 2217-1-X2 [0,0,1,1,0,0|2,0,0]=4
37  B9R1.6  CC(=O)C1CCCCN1 4H17-1-9U [0,0,1,1,0,0|2,0,0]=4
38  B9R1.6  N=C(N)C1CCCCC1 3241-5-03 [0,0,1,1,0,0|2,0,0]=4