0  B7R0.9  CC(C)(C)OC(N)=O SPC-g052 [0,1,0,0,0,0|1,0,2]=4
1  B7R1.2  CC1=CN(C)N=C1 SPC-s115 [0,0,0,1,0,0|3,0,0]=4
2  B7R1.2  CC1=NC(Br)=CS1 SPC-r369 [0,0,0,1,0,0|2,1,0]=4
3  B7R1.2  CC1=NN(C)C=C1 SPC-g247 [0,0,0,1,0,0|3,0,0]=4
4  B7R1.2  CC1=NNC(C)=N1 SPC-j293 [0,0,0,1,0,0|3,0,0]=4
5  B7R1.2  O=C1CCC(=O)C1 SPC-h715 [0,0,0,1,0,0|2,0,0]=3
6  B7R1.2  O=C1CC[C@H](O)C1 SPC-q537 [0,0,0,1,0,0|2,0,1]=4
7  B7R1.2  O=C1CNC(=O)C1 SPC-n497 [0,0,0,1,0,0|3,0,0]=4
8  B7R1.16  CC1(C)CC(=O)C1 SPC-q743 [0,0,0,1,0,0|1,0,2]=4
9  B7R1.16  CC1(N)CC(=O)C1 SPC-s904 [0,0,0,1,0,0|2,0,1]=4
10  B4R0.1  CC(=O)CN SPC-t886 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.1  CCOC(=O)C#N SPC-g163 [1,1,0,0,0,0|0,0,2]=4
12  B6R0.3  CON(C)C(C)=O SPC-t100 [1,1,0,0,0,0|2,0,0]=4
13  B6R0.4  CC\C=C\C(=O)O SPC-t510 [1,1,0,0,0,0|2,0,0]=4
14  B6R1.2  CC1=CNC=C1 SPC-m068 [1,0,0,1,0,0|2,0,0]=4
15  B6R1.2  CC1=COC=N1 SPC-n151 [1,0,0,1,0,0|1,0,1]=4
16  B6R1.2  CC1=CSC=N1 SPC-g112 [1,0,0,1,0,0|1,1,0]=4
17  B6R1.2  IC1=NC=CO1 SPC-m994 [1,0,0,1,0,0|2,0,0]=4
18  B6R1.2  O=C1C=CCC1 SPC-g207 [1,0,0,1,0,0|1,0,0]=3
19  B6R1.2  O=C1C=CCO1 SPC-t619 [1,0,0,1,0,0|0,0,2]=4
20  B6R1.2  O=C1CCNC1 SPC-g182 [1,0,0,1,0,0|2,0,0]=4
21  B6R1.2  O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|2,0,0]=4
22  B6R1.5  CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|1,0,1]=4
23  B6R1.5  CN1CC(=O)C1 SPC-i955 [1,0,0,1,0,0|2,0,0]=4
24  B6R1.5  CN1CC(=O)C1 SPC-p044 [1,0,0,1,0,0|2,0,0]=4
25  B6R1.4  C[C@@H]1OCC1=O SPC-p252 [0,0,0,1,1,0|1,0,1]=4
26  B6R1.4  O=C1CC[C@@H]1Br SPC-u765 [0,0,0,1,1,0|1,0,1]=4
27  B8R1.23  C=C1CC(C(=O)O)C1 SPC-g775 [0,0,0,1,0,1|2,0,0]=4
28  B8R1.23  O=C1C[C@@H](C(=O)O)O1 SPC-u889 [0,0,0,1,0,1|2,0,0]=4
29  B8R1.1  CC1=CN=C(CN)O1 SPC-s089 [0,1,0,1,0,0|1,0,0]=3
30  B8R1.1  CC1=CNC(CO)=N1 SPC-q878 [0,1,0,1,0,0|2,0,0]=4
31  B8R1.4  CC1=CC(=O)NN=C1 SPC-t626 [0,1,0,1,0,0|2,0,0]=4
32  B8R1.4  CC1=CC(C)=NC=N1 SPC-n162 [0,1,0,1,0,0|2,0,0]=4
33  B8R1.4  NC1=CC(=O)COC1 SPC-t582 [0,1,0,1,0,0|2,0,0]=4
34  B8R1.4  O=C1CCNC(=O)C1 SPC-g649 [0,1,0,1,0,0|2,0,0]=4
35  B8R1.4  O=C1CNCC(=O)N1 SPC-r025 [0,1,0,1,0,0|2,0,0]=4
36  B8R1.4  O=C1COCC(=O)C1 SPC-k937 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.4  O=C1CSCC(=O)C1 SPC-t654 [0,1,0,1,0,0|2,0,0]=4
38  B8R1.34  CC(=O)C=C1COC1 SPC-a012 [0,1,0,1,0,0|1,0,1]=4
39  B8R1.50  O=C1CCC(=O)N1I SPC-m873 [0,1,0,1,0,0|2,0,0]=4