0  B13R1.876  CC(O)CC1=CC(O)C(C)OC1=O Amb24672688 [0,0,0,0,0,0|0,0,0]=0
1  B13R1.876  C[C@@H](O)CC1=C[C@@H](O)[C@H](C)OC1=O Amb24324888 [0,0,0,0,0,0|0,0,0]=0
2  B12R1.233  CC1CCN(CC(C)O)C(=O)C1 Amb24412377 [1,0,0,0,0,0|2,0,1]=4
3  B12R1.233  CC1CCN(C[C@H](C)O)C(=O)C1 Amb24711686 [1,0,0,0,0,0|2,0,1]=4
4  B14R1.2284  CC(=O)NC1=CC(O)C(CO)OC1=O Amb24360389 [0,1,0,0,0,0|1,0,2]=4
5  B12R0.284  CCCC(=O)N(CC(O)C)CCO Amb17234665 [0,0,1,0,0,0|2,0,1]=4
6  B14R2.29996  CC1O[C@H]1C2=C[C@H](O)C(C)OC2=O Amb25234746 [0,0,0,1,0,0|0,0,0]=1
7  B14R2.29996  C[C@@H]1OC1C2=C[C@H](O)[C@@H](C)OC2=O Amb24572906 [0,0,0,1,0,0|0,0,0]=1
8  B14R2.29996  C[C@H]1O[C@H]1C2=C[C@H](O)[C@@H](C)OC2=O Amb25256630 [0,0,0,1,0,0|0,0,0]=1
9  B12R1.232  CC(C)C1=CC(O)C(C)CC1=O Amb25689528 [0,0,0,0,1,0|2,0,0]=3
10  B12R1.854  CC1C(C)NC(=O)N1CC(C)O Amb24716804 [0,0,0,0,1,0|3,0,0]=4
11  B12R1.1276  CC1CN(C[C@@H](C)O)C(=O)C1C Amb24566351 [0,0,0,0,1,0|2,0,1]=4
12  B12R1.1276  CC1CN(C[C@H](C)O)C(=O)C1C Amb24560696 [0,0,0,0,1,0|2,0,1]=4
13  B11R0.61  CCC\C(=C/CC)\C(=O)OCC Amb17619618 [1,0,1,0,0,0|1,0,0]=3
14  B11R1.277  CC1NC(=O)C(=CC1O)OC Amb24424025 [2,0,0,0,0,0|2,0,0]=4
15  B13R1.2808  CC1CC(=O)N(CC(C)O)C(=O)C1 Amb18319018 [1,1,0,0,0,0|2,0,0]=4
16  B13R1.2808  CC1CC(=O)N(C[C@@H](C)O)C(=O)C1 Amb25803966 [1,1,0,0,0,0|2,0,0]=4
17  B13R1.2808  CC1CC(=O)N(C[C@H](C)O)C(=O)C1 Amb24653395 [1,1,0,0,0,0|2,0,0]=4
18  B13R1.7913  CC(C)C1=C[C@@H](O)C(C)(O)CC1=O Amb24495551 [0,1,0,0,1,0|2,0,0]=4
19  B13R1.4697  CCC(C)C[C@@H]1[C@@H](O)[C@H](C)OC1=O Amb24581758 [0,1,0,0,1,0|1,0,1]=4
20  B13R1.165  CC(=C)C1CCC(O)C=C1C(O)=O Amb25690785 [0,0,1,1,0,0|1,0,1]=4
21  B13R1.450  CC1CC(O)OC(=C1)C(=O)OCC Amb25787305 [0,0,1,1,0,0|2,0,0]=4
22  B13R1.450  CCOC(=O)[C@@H]1C[C@H](O)C[C@H](O)C1 Amb24495920 [0,0,1,1,0,0|0,0,2]=4
23  B13R1.450  C[C@@H]1CC(O)OC(=C1)C(=O)OCC Amb24420809 [0,0,1,1,0,0|2,0,0]=4
24  B13R2.5397  CC1CC=2OC(C)CC2C(=O)C1 Amb25086578 [1,0,0,1,0,0|1,0,0]=3
25  B11R1.80  C[C@@H]1OC(CN(C)C)=C[C@@H]1O Amb25271957 [1,0,0,0,1,0|2,0,0]=4
26  B11R1.80  C[C@H]1OC(CN(C)C)=C[C@@H]1O Amb25226341 [1,0,0,0,1,0|2,0,0]=4
27  B11R1.645  CC(O)CN1CC(O)CC1=O Amb25785438 [1,0,0,0,1,0|1,0,1]=4
28  B11R1.645  CC1C=C(CC(C)O)C(=O)O1 Amb25369355 [1,0,0,0,1,0|1,0,0]=3
29  B11R1.645  C[C@H]1C=C(C[C@@H](C)O)C(=O)O1 Amb24605039 [1,0,0,0,1,0|1,0,0]=3
30  B11R1.645  OC(=O)CC1=CC(O)CC1=O Amb18644778 [1,0,0,0,1,0|1,0,1]=4
31  B11R1.166  CC(C)C1=CCC(C)CC1=O Amb24724531 [1,0,0,0,1,0|2,0,0]=4
32  B11R1.166  CC(C)C1=CC[C@H](C)CC1=O Amb25044289 [1,0,0,0,1,0|2,0,0]=4
33  B11R1.166  CC1CC=C(C(C)O)C(=O)C1 Amb25150282 [1,0,0,0,1,0|1,0,0]=3
34  B11R1.166  C[C@@H]1CC=C(C(C)O)C(=O)C1 Amb25092929 [1,0,0,0,1,0|1,0,0]=3
35  B11R1.598  CCCC1=C(O)C(C)SC1=O Amb25142398 [1,0,0,0,1,0|0,1,1]=4