0  B10R1.66  CC(C)CCN1C=CC=N1 MC107613 [0,0,0,0,0,0|3,0,0]=3
1  B10R1.66  CC(C)NCC1=CSC=C1 MC112514 [0,0,0,0,0,0|3,0,0]=3
2  B10R1.66  O=C(O)CCC1=CC=CO1 MC41688 [0,0,0,0,0,0|3,0,1]=4
3  B9R1.12  CCCCC1C=CC=C1 MC114482 [1,0,0,0,0,0|2,0,1]=4
4  B9R1.12  CCOCC1=CC=CO1 CS17009 [1,0,0,0,0,0|0,1,0]=2
5  B9R1.13  CC(Br)CC1=NC=CS1 MC106092 [0,0,0,0,1,0|2,1,0]=4
6  B9R1.13  CC(C)CC1=NC=CS1 CS10134 [0,0,0,0,1,0|1,1,0]=3
7  B9R1.13  CC(C)CC1=NNC=N1 MC106297 [0,0,0,0,1,0|3,0,0]=4
8  B9R1.13  CC(N)CC1=CC=CO1 MC431346 [0,0,0,0,1,0|1,0,0]=2
9  B11R1.91  CN(C)CCC1=CC=CC=C1 MC446671 [0,0,0,0,0,1|3,0,0]=4
10  B8R1.8  CCCC1=NC=CN1 CS14621 [2,0,0,0,0,0|2,0,0]=4
11  B8R1.8  OCCC1=CC=CS1 CS14939 [2,0,0,0,0,0|1,1,0]=4
12  B10R1.11  CCOC(=O)C1=CC=CO1 MC10319 [1,1,0,0,0,0|0,1,1]=4
13  B10R1.54  CC(C)CC1=NC=C(Br)S1 MC102513 [0,1,0,0,1,0|1,1,0]=4
14  B10R1.54  CC(C)CN1C=C(N)C=N1 MC107231 [0,1,0,0,1,0|2,0,0]=4
15  B12R1.27  CC(CO)NCC1=CC=CC=C1 CS11754 [0,1,0,0,0,1|2,0,0]=4
16  B12R1.27  CC(CO)OCC1=CC=CC=C1 MC106974 [0,1,0,0,0,1|1,1,0]=4
17  B10R2.7  C1=CC2=C(CCNC2)O1 MC442759 [1,0,0,1,0,0|2,0,0]=4
18  B10R2.7  C1=CC2=C(CNCC2)O1 MC442758 [1,0,0,1,0,0|1,0,0]=3
19  B10R2.7  C1=CC2=C(CNCC2)S1 CS22489 [1,0,0,1,0,0|1,1,0]=4
20  B12R2.2403  CC1(C)NCC2=CC=CC=C21 MC101956 [0,0,0,1,0,1|2,0,0]=4
21  B8R1.7  CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,2,0|1,0,1]=4
22  B8R1.7  CC(C)C1=CC=CO1 MC428131 [0,0,0,0,2,0|0,0,0]=2
23  B8R1.7  CC(C)C1=NC=CN1 CS21624 [0,0,0,0,2,0|2,0,0]=4