0  B5R0.1  C=C(C)CCO Amb8513522 [0,0,0,0,0,0|0,0,2]=2
1  B5R0.1  CC(C)=CCO Amb4605830 [0,0,0,0,0,0|0,0,0]=0
2  B5R0.1  CC(C)CC=O Amb3939851 [0,0,0,0,0,0|0,0,4]=4
3  B5R0.1  CC(C)CCO Amb4605831 [0,0,0,0,0,0|0,0,2]=2
4  B5R0.1  CC(C)N=C=S Amb6565430 [0,0,0,0,0,0|1,1,2]=4
5  B5R0.1  CCCC(=O)O Amb3939012 [0,0,0,0,0,0|3,0,1]=4
6  B5R0.1  C\C=C\C(=O)O Amb8385856 [0,0,0,0,0,0|3,0,1]=4
7  B4R0.1  CC(S)CS Amb4034635 [1,0,0,0,0,0|1,1,1]=4
8  B4R0.1  CCC(C)C Amb8513244 [1,0,0,0,0,0|0,0,2]=3
9  B4R0.1  O=CC(=O)O Amb3940872 [1,0,0,0,0,0|2,0,1]=4
10  B4R0.2  CCCCC Amb8513659 [1,0,0,0,0,0|1,0,2]=4
11  B6R0.1  CCCC(=O)CC Amb8513390 [0,1,0,0,0,0|2,0,1]=4
12  B6R0.1  CCCC(=O)OC Amb8516697 [0,1,0,0,0,0|2,0,1]=4
13  B6R0.2  CC(C)CC(=O)O Amb3939848 [0,1,0,0,0,0|0,0,3]=4
14  B6R0.3  CC(C)C(N)CO Amb3939342 [0,1,0,0,0,0|0,0,2]=3
15  B6R0.3  NC(CO)C(=O)O Amb2690463 [0,1,0,0,0,0|2,0,1]=4
16  B6R0.3  NC(CO)C(=O)O Amb6410375 [0,1,0,0,0,0|2,0,1]=4
17  B6R0.3  NC(CO)C(=O)O Amb8387621 [0,1,0,0,0,0|2,0,1]=4
18  B6R0.3  O=C(O)C(O)CO Amb4166319 [0,1,0,0,0,0|2,0,1]=4
19  B6R0.5  C[N+](C)(C)CCO Amb19748170 [0,1,0,0,0,0|1,0,1]=3
20  B5R0.3  NC(CO)CO Amb3939868 [1,1,0,0,0,0|1,0,1]=4
21  B5R0.3  OCC(O)CO Amb6608790 [1,1,0,0,0,0|1,0,1]=4
22  B5R0.5  CC(=O)C(=O)O Amb932807 [1,1,0,0,0,0|1,0,0]=3
23  B5R0.5  CC(=O)N(C)C Amb2793066 [1,1,0,0,0,0|1,0,0]=3
24  B5R0.5  CC(N)C(=O)O Amb3940457 [1,1,0,0,0,0|1,0,1]=4
25  B5R0.5  CC(N)C(=O)O Amb6298336 [1,1,0,0,0,0|1,0,1]=4
26  B5R0.5  CC(O)C(=O)O Amb6600026 [1,1,0,0,0,0|1,0,1]=4
27  B5R0.5  CC(O)C(C)O Amb8514566 [1,1,0,0,0,0|1,0,1]=4
28  B5R0.2  CC#CCCO Amb2721725 [1,1,0,0,0,0|0,0,2]=4
29  B7R0.5  CC\C=C(/C)C(=O)O Amb2689584 [0,2,0,0,0,0|1,0,1]=4
30  B7R0.10  COC(=O)C(C)CO Amb17615445 [0,2,0,0,0,0|1,0,1]=4
31  B7R0.10  COC(=O)C(N)CO Amb8390418 [0,2,0,0,0,0|1,0,1]=4
32  B7R0.6  CC(=O)CCC(=O)O Amb534169 [0,2,0,0,0,0|1,0,1]=4
33  B5R1.3  OCC1CO1 Amb8389331 [1,0,0,1,0,0|1,0,1]=4
34  B7R1.1  COC1=COC=C1 Amb21963231 [0,1,0,1,0,0|0,0,2]=4
35  B7R1.3  O=C1COCCN1 Amb15691115 [0,1,0,1,0,0|1,0,1]=4