0  B8R0.9  NC[C@@H](N)CCC(=O)O CS-0539323 [0,0,0,0,0,0|1,0,1]=2
1  B7R0.4  C=CCCC[C@H](C)O CS-1049849 [1,0,0,0,0,0|1,0,1]=3
2  B7R0.4  CC(=O)CCCCO CS-0514254 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.4  CCCCCC(N)=O CS-0128758 [1,0,0,0,0,0|1,0,2]=4
4  B7R0.6  C[C@H](N)CCC(=O)O CS-0753666 [1,0,0,0,0,0|0,0,1]=2
5  B9R0.7  NC(CCC(=O)O)C(=O)O CS-W022635 [0,1,0,0,0,0|1,0,0]=2
6  B9R0.48  CCC[C@@H](C)CCC(=O)O CS-0979123 [0,1,0,0,0,0|1,0,2]=4
7  B9R0.64  COC(C)(C)CCC(=O)O CS-0867646 [0,1,0,0,0,0|2,0,1]=4
8  B9R1.35  CC1CCC(C(=O)O)C1 CS-0217541 [0,0,0,1,0,0|1,0,2]=4
9  B9R1.35  O=C(O)[C@H]1CC[C@H](O)C1 CS-0340668 [0,0,0,1,0,0|1,0,2]=4
10  B9R1.125  C=CC1(C)CCC(=O)O1 CS-0697278 [0,0,0,1,0,0|1,0,0]=2
11  B7R0.2  NC[C@@H](O)CC(=O)O CS-W023137 [0,0,0,0,1,0|2,0,1]=4
12  B6R0.1  NC(CO)CCO CS-0091333 [2,0,0,0,0,0|1,0,1]=4
13  B6R0.4  C=CCOC(N)=O CS-0199028 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.4  O=C(O)CCCF CS-0491783 [2,0,0,0,0,0|1,0,0]=3
15  B8R0.7  COCCOCC(=O)O CS-0527874 [1,1,0,0,0,0|1,0,1]=4
16  B8R0.7  NCCCNCC(=O)O CS-0119868 [1,1,0,0,0,0|1,0,1]=4
17  B8R0.7  NCCOCCC(=O)O CS-0114519 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.23  CC(C)C[C@H](Br)C(=O)O CS-0134712 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.23  NC(=O)C[C@H](N)C(=O)O CS-W018159 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.29  CC(C)(C)CCC(=O)O CS-0440906 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.29  CC(C)(F)CCC(=O)O CS-0867883 [1,1,0,0,0,0|1,0,1]=4
22  B10R0.93  C[C@H](C[C@H](N)C(=O)O)C(=O)O CS-0021132 [0,2,0,0,0,0|1,0,0]=3
23  B10R0.93  [C@H](N)(C[C@@H](O)C(=O)O)C(=O)O CS-W013253 [0,2,0,0,0,0|1,0,0]=3
24  B10R0.96  N[C@H](CCC(=O)O)CC(=O)O CS-0777091 [0,2,0,0,0,0|0,0,1]=3
25  B8R1.1  C=CC1CCC(=O)N1 CS-0315611 [1,0,0,1,0,0|0,0,0]=2
26  B8R1.1  C=C[C@@H]1COC(=O)C1 CS-B0325 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.1  O=C1CC[C@H](CBr)N1 CS-W020693 [1,0,0,1,0,0|1,0,1]=4
28  B8R1.4  O=C1CCNC(=O)O1 CS-0736575 [1,0,0,1,0,0|2,0,0]=4
29  B8R1.31  O=C(O)[C@@H]1CC[C@H]1O CS-0160090 [1,0,0,1,0,0|1,0,1]=4
30  B8R1.77  CC1(C)C[C@@H]1C(=O)O CS-W019469 [1,0,0,1,0,0|1,0,1]=4
31  B8R1.42  NC1(CC(=O)O)CC1 CS-0308592 [0,0,0,1,1,0|0,0,2]=4
32  B10R1.119  CN1C(=O)CCC(N)C1=O CS-0530591 [0,1,0,1,0,0|2,0,0]=4
33  B6R0.2  O=C(O)CC(F)F CS-0054587 [1,0,0,0,1,0|2,0,0]=4
34  B6R0.3  N[C@H](CS)C(=O)O CS-0046802 [0,0,0,0,2,0|1,0,1]=4