0  B3R0.2  CB(O)O SPC-j988 [0,0,0,0,0,0|1,0,1]=2
1  B4R0.1  C#C[C@H](C)O SPC-s670 [0,1,0,0,0,0|1,0,1]=3
2  B4R0.1  C#C[C@H](C)O SPC-t138 [0,1,0,0,0,0|1,0,1]=3
3  B4R0.1  CC(=O)CN SPC-t886 [0,1,0,0,0,0|1,0,0]=2
4  B4R0.1  FC(F)CBr SPC-p180 [0,1,0,0,0,0|2,0,1]=4
5  B4R0.1  NC(=O)CI SPC-s873 [0,1,0,0,0,0|1,0,0]=2
6  B4R0.3  C[N+](C)(C)C SPC-w001 [0,1,0,0,0,0|3,0,0]=4
7  B4R1.2  OC1CC1 SPC-h306 [0,0,0,1,0,0|1,0,1]=3
8  B3R0.1  N#CCF SPC-v280 [1,1,0,0,0,0|1,0,1]=4
9  B5R0.1  C[C@@H](N)CCO SPC-g658 [0,2,0,0,0,0|1,0,1]=4
10  B5R0.1  C[C@H](N)CCO SPC-n760 [0,2,0,0,0,0|1,0,1]=4
11  B5R0.3  C=C(CCl)CCl SPC-g310 [0,2,0,0,0,0|2,0,0]=4
12  B5R0.3  C=C(CO)CO SPC-g493 [0,2,0,0,0,0|1,0,0]=3
13  B5R0.3  NC[C@@H](F)CO SPC-s654 [0,2,0,0,0,0|1,0,1]=4
14  B5R0.3  NC[C@H](F)CO SPC-s667 [0,2,0,0,0,0|1,0,1]=4
15  B5R0.4  CC(C)(F)CO SPC-t593 [0,2,0,0,0,0|1,0,1]=4
16  B5R0.4  CC(C)(O)CN SPC-g498 [0,2,0,0,0,0|1,0,1]=4
17  B5R0.4  CNS(N)(=O)=O SPC-u184 [0,2,0,0,0,0|1,0,1]=4
18  B5R1.2  BrC1COC1 SPC-g331 [0,1,0,1,0,0|1,0,1]=4
19  B5R1.2  ClC1COC1 SPC-s928 [0,1,0,1,0,0|1,0,1]=4
20  B5R1.2  IC1COC1 SPC-a300 [0,1,0,1,0,0|1,0,1]=4
21  B5R1.2  NC1COC1 SPC-a019 [0,1,0,1,0,0|1,0,1]=4
22  B5R1.2  O=C1CCN1 SPC-t120 [0,1,0,1,0,0|1,0,0]=3
23  B5R1.2  O=C1CNC1 SPC-h722 [0,1,0,1,0,0|1,0,0]=3
24  B5R1.2  O=C1CSC1 SPC-a100 [0,1,0,1,0,0|0,1,0]=3
25  B5R1.2  OC1CNC1 SPC-a234 [0,1,0,1,0,0|1,0,1]=4
26  B5R1.2  OC1COC1 SPC-a002 [0,1,0,1,0,0|0,0,2]=4
27  B5R1.2  OC1CSC1 SPC-t361 [0,1,0,1,0,0|0,1,1]=4
28  B5R1.2  SC1COC1 SPC-h701 [0,1,0,1,0,0|0,1,1]=4
29  B5R1.3  OC[C@H]1CO1 SPC-t630 [0,1,0,1,0,0|0,0,2]=4
30  B5R1.5  CC1(C)CO1 SPC-p106 [0,1,0,1,0,0|1,0,1]=4
31  B5R1.5  CC1(O)CC1 SPC-m882 [0,1,0,1,0,0|1,0,1]=4