0  B4R0.1  C[C@H](N)CF AC1331 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  NC(=S)CF E70025 [0,0,0,0,0,0|2,1,0]=3
2  B5R0.4  CC(C)(F)CN 85780 [0,1,0,0,0,0|2,0,1]=4
3  B5R0.4  O=S(=O)(Cl)CBr AT12635 [0,1,0,0,0,0|2,0,1]=4
4  B5R0.5  CC(N)C(C)O Y13729 [0,1,0,0,0,0|1,0,1]=3
5  B5R0.5  C[C@H](N)[C@H](C)O F16993 [0,1,0,0,0,0|1,0,1]=3
6  B5R1.4  N[C@H]1C[C@@H]1F D78842 [0,0,0,1,0,0|2,0,1]=4
7  B5R1.4  N[C@H]1C[C@@H]1O C93527 [0,0,0,1,0,0|1,0,1]=3
8  B5R1.4  N[C@H]1C[C@H]1N P19582 [0,0,0,1,0,0|2,0,1]=4
9  B5R1.5  NC1(O)CC1 92034 [0,0,0,1,0,0|2,0,1]=4
10  B4R0.2  CNCCF AC6046 [1,1,0,0,0,0|1,0,1]=4
11  B6R0.2  C[C@H](O)CN(C)C AT22519 [0,2,0,0,0,0|1,0,1]=4
12  B6R0.2  O=C(O)CC(F)F P18472 [0,2,0,0,0,0|1,0,0]=3
13  B6R0.3  C=CC(=O)C(=O)O AC9460 [0,2,0,0,0,0|1,0,1]=4
14  B6R0.3  C=C[C@H](N)C(=O)O F31036 [0,2,0,0,0,0|0,0,0]=2
15  B6R0.3  CC(C)C(=O)CN AT23528 [0,2,0,0,0,0|1,0,0]=3
16  B6R0.3  C[C@@H](CN)C(=O)O 31999 [0,2,0,0,0,0|0,0,0]=2
17  B6R0.3  N[C@H](CS)S(=O)O D72263 [0,2,0,0,0,0|1,0,0]=3
18  B6R0.3  O=C(CBr)C(F)F AT12824 [0,2,0,0,0,0|2,0,0]=4
19  B6R0.4  O=C(O)\C=C\CF AT12709 [0,2,0,0,0,0|1,0,0]=3
20  B6R0.4  O=C(O)\C=C\CO AT11505 [0,2,0,0,0,0|1,0,0]=3
21  B6R0.9  C\C=C(\C=O)CC AC9866 [0,2,0,0,0,0|2,0,0]=4
22  B6R1.2  O=C1NN=CO1 D96956 [0,1,0,1,0,0|1,0,1]=4
23  B6R1.5  O=C1CC(F)C1 P13807 [0,1,0,1,0,0|2,0,0]=4
24  B6R1.8  CO[C@H]1C[C@@H]1N P20153 [0,1,0,1,0,0|1,0,1]=4
25  B6R1.8  CO[C@H]1C[C@@H]1N P20155 [0,1,0,1,0,0|1,0,1]=4
26  B6R1.8  CO[C@H]1C[C@H]1N P20154 [0,1,0,1,0,0|1,0,1]=4
27  B6R1.8  CO[C@H]1C[C@H]1N P20156 [0,1,0,1,0,0|1,0,1]=4
28  B6R1.4  C[C@@H]1NC[C@@H]1O P18431 [0,1,0,1,0,0|1,0,1]=4
29  B6R1.4  C[C@@H]1NC[C@@H]1O P18432 [0,1,0,1,0,0|1,0,1]=4
30  B6R1.4  C[C@@H]1NC[C@@H]1O P18433 [0,1,0,1,0,0|1,0,1]=4
31  B6R1.4  N[C@H]1CC[C@@H]1O D72719 [0,1,0,1,0,0|1,0,1]=4
32  B6R1.4  N[C@H]1CC[C@@H]1O P20951 [0,1,0,1,0,0|1,0,1]=4
33  B6R1.4  N[C@H]1CC[C@@H]1O P20952 [0,1,0,1,0,0|1,0,1]=4
34  B6R1.4  N[C@H]1CNC1=O P11921 [0,1,0,1,0,0|1,0,0]=3
35  B6R1.6  NC[C@H]1CCO1 P21081 [0,1,0,1,0,0|1,0,1]=4