0  B4R0.1  C=C[C@H](C)N N11431 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  C[C@H](N)C#N 96735 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  C[C@H](N)CF AC1331 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  NC(=S)CF E70025 [0,0,0,0,0,0|3,1,0]=4
4  B5R0.5  CC(N)C(C)O Y13729 [0,1,0,0,0,0|1,0,2]=4
5  B5R0.5  C[C@H](N)[C@H](C)O F16993 [0,1,0,0,0,0|1,0,2]=4
6  B4R0.2  CNCCF AC6046 [1,1,0,0,0,0|1,0,1]=4
7  B6R0.2  O=C(O)CC(F)F P18472 [0,2,0,0,0,0|2,0,0]=4
8  B6R0.3  CC(C)C(=O)CN AT23528 [0,2,0,0,0,0|1,0,0]=3
9  B6R0.3  C[C@@H](CN)C(=O)O 31999 [0,2,0,0,0,0|2,0,0]=4
10  B6R0.3  O=C(CBr)C(F)F AT12824 [0,2,0,0,0,0|2,0,0]=4
11  B6R0.4  O=C(O)\C=C\CF AT12709 [0,2,0,0,0,0|2,0,0]=4
12  B6R0.4  O=C(O)\C=C\CO AT11505 [0,2,0,0,0,0|2,0,0]=4
13  B6R0.9  C\C=C(\C=O)CC AC9866 [0,2,0,0,0,0|1,0,0]=3
14  B6R1.2  O=C1NN=CO1 D96956 [0,1,0,1,0,0|1,0,1]=4
15  B6R1.5  O=C1CC(F)C1 P13807 [0,1,0,1,0,0|1,0,0]=3
16  B6R1.8  CO[C@H]1C[C@@H]1N P20153 [0,1,0,1,0,0|1,0,1]=4
17  B6R1.8  CO[C@H]1C[C@@H]1N P20155 [0,1,0,1,0,0|1,0,1]=4
18  B6R1.8  CO[C@H]1C[C@H]1N P20154 [0,1,0,1,0,0|1,0,1]=4
19  B6R1.8  CO[C@H]1C[C@H]1N P20156 [0,1,0,1,0,0|1,0,1]=4
20  B6R1.4  N[C@H]1CNC1=O P11921 [0,1,0,1,0,0|1,0,0]=3
21  B6R1.6  NC[C@H]1CCO1 P21081 [0,1,0,1,0,0|1,0,1]=4