0  B9R0.53  CC(C)C[C@H](N)CC(=O)O 25245 [0,0,0,0,0,0|3,0,1]=4
1  B9R0.53  CC(C)C[C@H](N)CC(=O)O 30107 [0,0,0,0,0,0|3,0,1]=4
2  B9R0.53  C\C(=N/C(C)C)NC(C)C 36346 [0,0,0,0,0,0|3,0,1]=4
3  B8R0.28  CC(C)CCCC(=O)O 36049 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.28  CC(C)N=C=NC(C)C 12717 [1,0,0,0,0,0|2,0,1]=4
5  B8R0.28  CC(C)\N=C\NC(C)C 28999 [1,0,0,0,0,0|2,0,1]=4
6  B8R0.23  CC(C)CC(O)C(=O)O 22723 [0,0,0,0,1,0|2,0,1]=4
7  B8R0.23  CC(C)C[C@H](O)C(=O)O 8273 [0,0,0,0,1,0|2,0,1]=4
8  B7R0.2  CC(C)C[C@@H](N)CO 12435 [2,0,0,0,0,0|2,0,0]=4
9  B7R0.2  CC(C)C[C@H](N)CO 25957 [2,0,0,0,0,0|2,0,0]=4
10  B7R0.2  CN(C)CC(O)CO 32210 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.2  CN(C)C[C@@H](O)CO 25206 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.2  CN(C)C[C@H](O)CO 25208 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.4  CC(C)CCCCBr 35107 [2,0,0,0,0,0|1,0,0]=3
14  B7R0.4  CCCCCC(C)O 3094 [2,0,0,0,0,0|1,0,0]=3
15  B7R0.4  CCCCC[C@@H](C)O 6739 [2,0,0,0,0,0|1,0,0]=3
16  B7R0.4  CCCCC[C@H](C)O 6736 [2,0,0,0,0,0|1,0,0]=3
17  B7R0.7  CCCC(N)CCC 12594 [2,0,0,0,0,0|1,0,0]=3
18  B9R1.34  CC1CC(=O)CC(C)C1 35048 [1,0,0,1,0,0|0,0,2]=4
19  B9R1.66  CC1(C)CCCC(=O)C1 27316 [1,0,0,1,0,0|0,0,2]=4
20  B9R1.49  CN1CCCC(N)CC1 35580 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.49  CN1CCCC(O)CC1 2444 [1,0,0,1,0,0|2,0,0]=4
22  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O 7972 [0,1,0,1,0,0|0,0,0]=2
23  B11R1.166  CC(C)[C@H]1CC[C@H](C)C[C@@H]1O 32226 [0,1,0,1,0,0|0,0,0]=2
24  B11R1.166  CC(C)[C@H]1CC[C@H](C)C[C@@H]1O 7968 [0,1,0,1,0,0|0,0,0]=2
25  B11R1.1362  CC1(C)CC(=O)CC(C)(C)C1 35064 [0,1,0,1,0,0|0,0,2]=4
26  B11R1.1362  CC1(C)CC(=O)CC(C)(C)N1 23872 [0,1,0,1,0,0|0,0,2]=4
27  B11R1.1362  CC1(C)CC(=O)CC(C)(C)O1 26960 [0,1,0,1,0,0|0,0,2]=4
28  B11R1.1362  CC1(C)CC(N)CC(C)(C)N1 6821 [0,1,0,1,0,0|1,0,0]=3
29  B11R1.1362  CC1(C)CC(O)CC(C)(C)N1 23863 [0,1,0,1,0,0|0,0,0]=2
30  B7R0.6  CP(C)CCP(C)C 6482 [1,0,0,0,1,0|2,0,0]=4
31  B7R0.6  C[C@H](O)CC[C@H](C)O 6345 [1,0,0,0,1,0|2,0,0]=4
32  B7R0.16  CC(C)P(Cl)C(C)C 6476 [0,0,0,0,2,0|2,0,0]=4