0  B8R1.7  O=C(O)C1CSCN1 T0221 [0,1,0,0,0,0|2,0,1]=4
1  B8R1.7  O=C(O)[C@@H]1CCCN1 T2O2683 [0,1,0,0,0,0|1,0,1]=3
2  B8R1.7  O=C(O)[C@@H]1CCCN1 TN1593 [0,1,0,0,0,0|1,0,1]=3
3  B8R1.7  O=C(O)[C@@H]1CSCN1 T4292 [0,1,0,0,0,0|2,0,1]=4
4  B8R1.7  O=C(O)[C@H]1CCCN1 T5302 [0,1,0,0,0,0|1,0,1]=3
5  B8R1.11  CCN1CCCC1=O T13823 [0,1,0,0,0,0|3,0,0]=4
6  B6R0.6  CC\C=C/CCO T22295 [0,0,1,0,0,0|1,0,1]=3
7  B6R0.6  COCCCCO T7022 [0,0,1,0,0,0|2,0,0]=3
8  B6R0.6  ClCCNCCCl T0565 [0,0,1,0,0,0|3,0,0]=4
9  B6R0.6  NCCCCCN T4895 [0,0,1,0,0,0|2,0,0]=3
10  B5R0.1  C[C@@H](O)CCO T19538 [1,0,1,0,0,0|1,0,0]=3
11  B5R0.2  NCCCCN T22213 [1,0,1,0,0,0|2,0,0]=4
12  B5R0.3  CCC(C)C=O T5090 [1,0,1,0,0,0|0,0,2]=4
13  B5R0.3  O=CC(O)CO T4918 [1,0,1,0,0,0|1,0,1]=4
14  B5R0.3  OCC(O)CO T4776 [1,0,1,0,0,0|1,0,0]=3
15  B5R0.3  OCC(S)CS T0781 [1,0,1,0,0,0|1,1,0]=4
16  B7R0.2  CC(C)C[C@H](N)CO T5652 [0,1,1,0,0,0|1,0,0]=3
17  B7R0.5  CCCC(C)C(=O)O T5685 [0,1,1,0,0,0|1,0,1]=4
18  B7R0.5  CCCC(N)C(=O)O T11054 [0,1,1,0,0,0|1,0,1]=4
19  B7R0.5  CCC[C@H](N)C(=O)O T4788 [0,1,1,0,0,0|1,0,1]=4
20  B7R0.10  OC[C@@H](O)[C@H](O)CO T5218 [0,1,1,0,0,0|1,0,0]=3
21  B7R0.10  OC[C@H](O)[C@H](O)CO T0583 [0,1,1,0,0,0|1,0,0]=3
22  B7R0.10  O[C@@H](CS)[C@@H](O)CS T5370 [0,1,1,0,0,0|1,1,0]=4
23  B7R0.10  O[C@H](CS)[C@@H](O)CS T19299 [0,1,1,0,0,0|1,1,0]=4
24  B7R0.1  NCCCNCCS TQ0133 [0,1,1,0,0,0|1,1,0]=4
25  B7R0.4  CCCCCC(C)N T0359 [0,1,1,0,0,0|2,0,0]=4
26  B7R0.4  NCCCCC(=O)O T5089 [0,1,1,0,0,0|1,0,1]=4
27  B7R1.18  O=C(O)C1CCN1 T8100 [0,1,0,0,1,0|1,0,1]=4
28  B9R1.6  O=C(O)C1CCCCC1 T5563 [0,1,0,0,0,1|1,0,1]=4
29  B9R1.6  O=C(O)C1CCCCN1 T4819 [0,1,0,0,0,1|1,0,1]=4
30  B9R1.6  O=C(O)C1CCNCC1 T22348 [0,1,0,0,0,1|1,0,1]=4
31  B9R1.6  O=C(O)[C@@H]1CCCCN1 T4762 [0,1,0,0,0,1|1,0,1]=4
32  B9R1.6  O=C(O)[C@@H]1CCCNC1 T22482 [0,1,0,0,0,1|1,0,1]=4
33  B9R1.6  O=C(O)[C@H]1CCCCN1 T13634 [0,1,0,0,0,1|1,0,1]=4
34  B9R1.35  O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,2,0,0,0,0|1,0,1]=4
35  B9R1.35  O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,2,0,0,0,0|1,0,1]=4
36  B5R1.3  ClCC1CO1 T6344 [0,0,0,0,2,0|1,0,0]=3
37  B5R1.3  ClCC1CO1 T6666 [0,0,0,0,2,0|1,0,0]=3
38  B5R1.3  N#CC1CC1 T0536 [0,0,0,0,2,0|1,0,1]=4