0  B11R0.148  O=C(O)CCCCCCCCBr B18462 [0,0,0,0,0,0|1,0,0]=1
1  B10R0.4  CCCCCCCCC(=N)N N13879 [1,0,0,0,0,0|2,0,0]=3
2  B10R0.4  CCCCCCCNC(N)=S H8001 [1,0,0,0,0,0|2,1,0]=4
3  B10R0.4  O=C(O)CCCCCCCBr B3812 [1,0,0,0,0,0|1,0,0]=2
4  B10R0.71  CCCCCCCCN=C=S O7878 [1,0,0,0,0,0|1,1,1]=4
5  B10R0.71  OCCCCCCCCCBr B12939 [1,0,0,0,0,0|1,0,1]=3
6  B12R0.234  C(CCCCCCCO)=CC(=O)O Q3294 [0,1,0,0,0,0|0,0,2]=3
7  B12R0.234  C(CCCCCCCO)=CC(=O)O Q3294 [0,1,0,0,0,0|0,0,2]=3
8  B12R0.234  O=C(O)CCCCCCCCCBr B5460 [0,1,0,0,0,0|0,0,0]=1
9  B12R0.248  CCCCCCCCOC(=O)CN G10061 [0,1,0,0,0,0|2,0,0]=3
10  B12R0.251  CCCCCCCCC(O)C(=O)O H15054 [0,1,0,0,0,0|0,0,0]=1
11  B12R0.268  O=C(O)CCCCCCCC(=O)O A1176 [0,1,0,0,0,0|1,0,1]=3
12  B12R0.268  O=C(O)CCCNCCCC(=O)O B12923 [0,1,0,0,0,0|2,0,1]=4
13  B12R1.125  CC1CCCCN1CCC(=N)N M16893 [0,0,0,1,0,0|3,0,0]=4
14  B12R1.252  O=C(O)CCCC1CCNCC1 P17612 [0,0,0,1,0,0|1,0,0]=2
15  B12R1.255  O=C(O)CCCC[C@@H]1CCSS1 L6253 [0,0,0,1,0,0|2,0,0]=3
16  B12R1.255  [C@@H]1(CCCCC(=O)O)CCSS1 L4927 [0,0,0,1,0,0|2,0,0]=3
17  B9R0.2  CCCCCCCC(=N)N O13890 [2,0,0,0,0,0|2,0,0]=4
18  B9R0.45  OCCCCCCCCBr B18489 [2,0,0,0,0,0|1,0,0]=3
19  B11R0.40  CCCCCCCCC(O)CN A13572 [1,1,0,0,0,0|1,0,1]=4
20  B13R0.201  COC(=O)CCCCCCC(=O)OC D13168 [0,2,0,0,0,0|1,0,1]=4
21  B13R0.54  CCCCCCCCCCCC(=N)N D13758 [0,2,0,0,0,0|2,0,0]=4
22  B13R0.147  CCCCCCCCCCC(O)CN A13316 [0,2,0,0,0,0|1,0,1]=4
23  B13R0.147  CCCCCCCCCC\C(N)=N/O H14017 [0,2,0,0,0,0|1,0,0]=3
24  B11R1.86  CC1CNCCC1CC(=O)O M4469 [1,0,0,1,0,0|1,0,0]=3
25  B11R1.91  N1CCC(CCC(=O)O)CC1 P11831 [1,0,0,1,0,0|1,0,0]=3
26  B11R1.91  O=C(O)CCC1CCCCN1 P14397 [1,0,0,1,0,0|1,0,0]=3
27  B11R1.91  O=C(O)CCC1CCC[NH2+]C1 P12684 [1,0,0,1,0,0|1,0,0]=3
28  B11R1.91  O=C(O)CCN1CCCCC1 P17611 [1,0,0,1,0,0|1,0,0]=3
29  B11R1.91  O=C(O)CCN1CCNCC1 P16653 [1,0,0,1,0,0|2,0,0]=4
30  B11R1.143  NC1CCCCCC1C(=O)O A12931 [1,0,0,1,0,0|1,0,0]=3
31  B11R1.193  O=C(O)C1CNCC1CCO H14027 [1,0,0,1,0,0|2,0,0]=4
32  B13R1.1110  NC(CCCC1OCCO1)C(=O)O A15485 [0,1,0,1,0,0|2,0,0]=4
33  B13R1.1082  CC(=O)N1CCCCCC1C(=O)O A18020 [0,1,0,1,0,0|1,0,1]=4
34  B13R2.435  O=C(O)C1CC2CCCCC2N1 C4786 [0,0,0,2,0,0|1,0,0]=3
35  B13R2.435  O=C(O)C1CC2CCCCC2N1 C4786 [0,0,0,2,0,0|1,0,0]=3
36  B13R2.435  [C@@H]12CCCC[C@@H]1N[C@H](C(=O)O)C2 C7228 [0,0,0,2,0,0|1,0,0]=3
37  B13R2.435  [C@@H]12CCCC[C@@H]1N[C@H](C(=O)O)C2 C7228 [0,0,0,2,0,0|1,0,0]=3
38  B13R2.13663  O=C(O)C12CCCCC1CNC2 O13889 [0,0,0,2,0,0|1,0,0]=3