0  B4R0.1  CC(=O)CN SPC-t886 [1,0,0,0,0,0|1,0,1]=3
1  B4R0.1  NC(=O)CI SPC-s873 [1,0,0,0,0,0|2,0,1]=4
2  B4R0.2  C=CCCO SPC-t137 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.1  CCOC(=O)C#N SPC-g163 [0,1,0,0,0,0|0,0,3]=4
4  B6R0.3  CON(C)C(C)=O SPC-t100 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.4  CC\C=C\C(=O)O SPC-t510 [0,1,0,0,0,0|2,0,1]=4
6  B6R1.2  CC1=CNC=C1 SPC-m068 [0,0,0,1,0,0|3,0,0]=4
7  B6R1.2  CC1=COC=N1 SPC-n151 [0,0,0,1,0,0|3,0,0]=4
8  B6R1.2  CC1=CSC=N1 SPC-g112 [0,0,0,1,0,0|3,0,0]=4
9  B6R1.2  IC1=NC=CO1 SPC-m994 [0,0,0,1,0,0|2,0,0]=3
10  B6R1.2  NC1=NC=CN1 SPC-g069 [0,0,0,1,0,0|3,0,0]=4
11  B6R1.2  O=C1C=CCC1 SPC-g207 [0,0,0,1,0,0|1,0,1]=3
12  B6R1.2  O=C1C=CCO1 SPC-t619 [0,0,0,1,0,0|0,0,2]=3
13  B6R1.2  O=C1C=CNN1 SPC-p382 [0,0,0,1,0,0|2,0,1]=4
14  B6R1.2  O=C1CCNC1 SPC-g182 [0,0,0,1,0,0|2,0,1]=4
15  B6R1.2  O=C1CCOC1 SPC-g234 [0,0,0,1,0,0|2,0,1]=4
16  B6R1.2  OC1CC=CC1 SPC-n355 [0,0,0,1,0,0|1,0,2]=4
17  B6R1.5  CC1CC(=O)C1 SPC-n075 [0,0,0,1,0,0|1,0,2]=4
18  B6R1.5  CN1CC(=O)C1 SPC-i955 [0,0,0,1,0,0|2,0,1]=4
19  B6R1.5  CN1CC(=O)C1 SPC-p044 [0,0,0,1,0,0|2,0,1]=4
20  B6R1.5  NC1CC(=O)C1 SPC-g768 [0,0,0,1,0,0|2,0,1]=4
21  B6R1.5  O=C1CC(Br)C1 SPC-i596 [0,0,0,1,0,0|2,0,1]=4
22  B3R0.2  CB(O)O SPC-j988 [2,0,0,0,0,0|1,0,1]=4
23  B5R0.4  C=C[Si](C)(C)C SPC-t167 [1,1,0,0,0,0|1,1,0]=4
24  B7R0.5  CC(C)C(=O)OCCl SPC-n339 [0,2,0,0,0,0|1,0,1]=4
25  B7R0.7  [C-]#[N+]CC(=O)OCC SPC-q003 [0,2,0,0,0,0|0,0,2]=4
26  B5R1.2  O=C1CCN1 SPC-t120 [1,0,0,1,0,0|1,0,1]=4
27  B5R1.2  O=C1CNC1 SPC-h722 [1,0,0,1,0,0|1,0,1]=4
28  B5R1.2  O=C1CSC1 SPC-a100 [1,0,0,1,0,0|1,0,1]=4
29  B5R1.1  C1=COC=N1 SPC-m896 [1,0,0,1,0,0|1,0,0]=3
30  B7R1.1  NCC1=CN=CO1 SPC-u502 [0,1,0,1,0,0|2,0,0]=4
31  B7R1.1  NCC1=NC=CS1 SPC-m756 [0,1,0,1,0,0|1,1,0]=4
32  B7R1.1  O=CC1=NC=CN1 SPC-n997 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.1  O=CC1=NC=CS1 SPC-s112 [0,1,0,1,0,0|1,1,0]=4
34  B7R1.2  CC1=NC(Br)=CS1 SPC-r369 [0,1,0,1,0,0|1,1,0]=4
35  B7R1.2  O=C1CCC(=O)C1 SPC-h715 [0,1,0,1,0,0|1,0,1]=4
36  B7R1.2  O=C1CNC(=O)C1 SPC-n497 [0,1,0,1,0,0|1,0,1]=4
37  B7R1.3  CC1=CC=CN=N1 SPC-g427 [0,1,0,1,0,0|2,0,0]=4
38  B7R1.3  CC1=NC=CC=N1 SPC-u374 [0,1,0,1,0,0|2,0,0]=4
39  B7R1.3  CC1=NC=NC=C1 SPC-g053 [0,1,0,1,0,0|2,0,0]=4
40  B7R1.3  O=C1C=CC=NN1 SPC-g446 [0,1,0,1,0,0|1,0,1]=4
41  B7R1.3  O=C1C=CCOC1 SPC-s270 [0,1,0,1,0,0|0,0,2]=4
42  B7R1.3  O=C1C=CN=CN1 SPC-n087 [0,1,0,1,0,0|1,0,1]=4
43  B7R1.3  O=C1CCCOC1 SPC-g865 [0,1,0,1,0,0|0,0,2]=4
44  B7R1.4  N[C@H]1CCOC1=O SPC-s908 [0,1,0,1,0,0|0,0,2]=4