0  B8R1.50  CN1CCN(C)C1=O 12724 [1,0,0,0,0,0|3,0,0]=4
1  B8R1.50  O=C1OC[C@@H](O)[C@H]1O 32193 [1,0,0,0,0,0|3,0,0]=4
2  B8R0.2  CC(C)[C@H](N)C(=O)CCl 14401 [0,0,1,0,0,0|2,0,1]=4
3  B8R0.2  CC[C@@H](C)[C@@H](N)C(=O)O 03252 [0,0,1,0,0,0|2,0,1]=4
4  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O 05844 [0,0,1,0,0,0|2,0,1]=4
5  B8R0.2  CC[C@H](C)[C@@H](N)C(=O)O 05935 [0,0,1,0,0,0|2,0,1]=4
6  B8R0.2  CC[C@H](C)[C@@H](N)C(=O)O 06031 [0,0,1,0,0,0|2,0,1]=4
7  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O 00263 [0,0,1,0,0,0|2,0,1]=4
8  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O 12377 [0,0,1,0,0,0|2,0,1]=4
9  B8R0.2  CC[C@H](C)[C@H](N)C(N)=O 06110 [0,0,1,0,0,0|2,0,1]=4
10  B8R0.2  COC(=O)C(N)C(C)C 12374 [0,0,1,0,0,0|3,0,0]=4
11  B8R0.2  COC(=O)[C@@H](N)C(C)C 01826 [0,0,1,0,0,0|3,0,0]=4
12  B8R0.2  COC(=O)[C@H](N)C(C)C 06014 [0,0,1,0,0,0|3,0,0]=4
13  B8R0.3  CCCC(N)C(=O)OC 06036 [0,0,1,0,0,0|2,0,1]=4
14  B8R0.3  CCC[C@H](N)C(=O)OC 06144 [0,0,1,0,0,0|2,0,1]=4
15  B8R0.3  CCOC(=O)C(O)CC 21169 [0,0,1,0,0,0|1,0,2]=4
16  B7R0.5  CCCC(=O)C(=O)[O-] 20956 [1,0,1,0,0,0|1,0,0]=3
17  B7R0.5  CCOC(=O)C(C)=O 21912 [1,0,1,0,0,0|1,0,0]=3
18  B7R0.10  CN[C@@H](C)C(=O)OC 16403 [1,0,1,0,0,0|2,0,0]=4
19  B7R0.16  CC(C)C(N)C(=O)O 00627 [1,0,1,0,0,0|1,0,1]=4
20  B7R0.16  CC(C)[C@@H](N)C(=O)O 00316 [1,0,1,0,0,0|1,0,1]=4
21  B7R0.16  CC(C)[C@@H](N)C(N)=O 04459 [1,0,1,0,0,0|2,0,0]=4
22  B7R0.16  CC(C)[C@@H](O)C(=O)O 05646 [1,0,1,0,0,0|1,0,1]=4
23  B7R0.16  CC(C)[C@H](N)C(=O)O 00317 [1,0,1,0,0,0|1,0,1]=4
24  B7R0.16  CC(C)[C@H](N)C(N)=O 03166 [1,0,1,0,0,0|2,0,0]=4
25  B7R0.16  CC(C)[C@H](N)C(N)=O 06265 [1,0,1,0,0,0|2,0,0]=4
26  B7R0.16  CC(C)[C@H](O)C(=O)O 06278 [1,0,1,0,0,0|1,0,1]=4
27  B7R0.7  CCOC(=O)CCBr 26742 [1,0,1,0,0,0|2,0,0]=4
28  B7R0.7  CCOC(=O)CCN 06221 [1,0,1,0,0,0|2,0,0]=4
29  B7R0.7  CCOC(=O)CNC 12102 [1,0,1,0,0,0|2,0,0]=4
30  B7R1.4  CC1OCCC1=O 29783 [2,0,0,0,0,0|1,0,1]=4
31  B7R1.4  CN1CCCC1=O 00741 [2,0,0,0,0,0|1,0,1]=4
32  B7R1.4  CN1CCCC1=O 30063 [2,0,0,0,0,0|1,0,1]=4
33  B9R0.27  CC[C@H](C)[C@H](N)C(=O)CCl 24637 [0,1,1,0,0,0|1,0,1]=4
34  B9R0.27  CC[C@H](C)[C@H](N)C(=O)OC 03086 [0,1,1,0,0,0|1,0,1]=4
35  B9R0.29  CN[C@H](C(=O)OC)C(C)C 09620 [0,1,1,0,0,0|2,0,0]=4
36  B9R0.23  COC(=O)C(=O)CC(C)=O 24913 [0,1,1,0,0,0|1,0,1]=4
37  B9R0.35  CCC[C@H](N)C(=O)OCC 16306 [0,1,1,0,0,0|1,0,1]=4
38  B9R0.35  CCOC(=O)C(=O)OCC 27207 [0,1,1,0,0,0|1,0,0]=3
39  B9R1.3  CC1CCCC(C)C1=O 22403 [0,0,1,1,0,0|1,0,1]=4