0  B6R0.4  CC(C)NCC#N 78909 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  C=CC[C@H](C)N D84793 [1,0,0,0,0,0|1,0,1]=3
2  B5R0.1  CN(C)NC=O 20013 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.2  NC\C=C/CN C13830 [1,0,0,0,0,0|2,0,1]=4
4  B7R1.2  C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,0|1,0,1]=3
5  B7R1.2  C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,0|1,0,1]=3
6  B7R1.2  N[C@@H]1CNC(=O)C1 P12719 [0,0,0,1,0,0|2,0,1]=4
7  B7R1.2  O=C1C=C[C@@H](O)C1 86273 [0,0,0,1,0,0|1,0,0]=2
8  B4R0.1  C=C[C@H](C)N N11431 [2,0,0,0,0,0|1,0,0]=3
9  B6R0.3  CC(C)C(=O)CN AT23528 [1,1,0,0,0,0|1,0,1]=4
10  B8R0.23  C=C(CC(C)C)C(=O)O W18790 [0,2,0,0,0,0|0,0,1]=3
11  B8R0.23  CC(=O)\C=C(/C)N(C)C D80987 [0,2,0,0,0,0|1,0,0]=3
12  B6R1.5  O=C1CC(F)C1 P13807 [1,0,0,1,0,0|1,0,1]=4
13  B8R1.1  CN[C@@H]1CNC(=O)C1 P19248 [0,1,0,1,0,0|1,0,1]=4
14  B8R1.1  NC[C@@H]1CNC(=O)C1 38946 [0,1,0,1,0,0|1,0,1]=4
15  B8R1.1  NC[C@@H]1CNC(=O)C1 P14159 [0,1,0,1,0,0|1,0,1]=4
16  B8R1.1  O=C1C[C@H](CO)CO1 72726 [0,1,0,1,0,0|1,0,1]=4
17  B8R1.4  CC1=CCCC(=O)C1 D79894 [0,1,0,1,0,0|0,0,2]=4
18  B8R1.4  C[C@H]1CC(=O)CCO1 P13205 [0,1,0,1,0,0|0,0,2]=4
19  B8R1.4  O=C1C=COC(=O)C1 A11284 [0,1,0,1,0,0|1,0,1]=4
20  B8R1.3  C[C@H]1CCC(=O)CN1 P20466 [0,1,0,1,0,0|0,0,2]=4
21  B8R1.3  C[C@H]1CCC(=O)CN1 P20467 [0,1,0,1,0,0|0,0,2]=4
22  B8R1.5  [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,1,0,0|1,0,1]=4
23  B8R1.50  CC1=CNC(=O)N1C AT20167 [0,1,0,1,0,0|1,0,1]=4
24  B8R1.7  C[C@H](N)C1=CC=CO1 Y14798 [0,1,0,1,0,0|1,0,1]=4
25  B8R1.7  C[C@H](N)C1=CC=CS1 Y14840 [0,1,0,1,0,0|1,1,0]=4
26  B8R1.7  C[C@H](N)C1=COC=C1 D81573 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.7  C[C@H](N)C1=NNC=C1 AT26569 [0,1,0,1,0,0|2,0,0]=4
28  B8R1.23  C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,1,0,1,0,0|1,0,1]=4
29  B8R1.23  C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,1,0,1,0,0|1,0,1]=4
30  B8R1.77  CC1(C)C[C@@H]1C(N)=O P18982 [0,1,0,1,0,0|0,0,2]=4
31  B8R2.4  O=C1CC2CC1C2 P20286 [0,0,0,2,0,0|0,0,2]=4
32  B8R2.18  O=C1CC2CC2N1 P20381 [0,0,0,2,0,0|1,0,1]=4
33  B8R2.38  O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,2,0,0|0,0,2]=4
34  B8R2.38  O=C1NCC2CC12 AT10538 [0,0,0,2,0,0|1,0,1]=4