0  B7R1.3  CC1=CCCCC1 HY-W004338 [0,0,0,0,0,0|1,0,1]=2
1  B7R1.3  ClC1=CC=NC=C1 HY-Y0178 [0,0,0,0,0,0|2,0,2]=4
2  B7R1.3  OC1=CC=NC=C1 HY-W007690 [0,0,0,0,0,0|1,0,3]=4
3  B8R1.4  O=[13C]1[13CH]=[13CH]N[13C](=O)N1 HY-I0960S1 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.1  C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,0,1,0,0,0|2,0,0]=3
5  B6R0.4  C#CCCC(=O)O HY-Y1230 [0,0,1,0,0,0|1,0,2]=4
6  B6R0.4  O=C(O)\C=C\CO HY-100982 [0,0,1,0,0,0|2,0,0]=3
7  B8R2.34  C1=CC2CCC1C2 HY-W013021 [0,0,0,1,0,0|1,0,1]=3
8  B6R1.2  S=C1NCCO1 HY-W038985 [0,0,0,0,1,0|2,1,0]=4
9  B5R0.1  CNCC(=O)O HY-W012791 [1,0,1,0,0,0|2,0,0]=4
10  B5R0.1  C\C=C\C(C)=O HY-34748 [1,0,1,0,0,0|0,0,0]=2
11  B5R0.1  [15NH2]CCC(=O)O HY-N0230S1 [1,0,1,0,0,0|2,0,0]=4
12  B5R0.2  C=CCCCO HY-W010639 [1,0,1,0,0,0|0,0,1]=3
13  B5R0.3  CC[PH](=O)CC HY-W094280 [1,0,1,0,0,0|1,0,1]=4
14  B7R0.3  C=CC(=O)NCCO HY-W095198 [0,1,1,0,0,0|1,0,0]=3
15  B7R0.3  CCC(=O)OCOC HY-41616 [0,1,1,0,0,0|1,0,1]=4
16  B7R0.3  CCC(=O)\C=C\C=O HY-N12851 [0,1,1,0,0,0|0,0,1]=3
17  B7R0.3  CCCCC(=O)O[Na] HY-W007087 [0,1,1,0,0,0|2,0,0]=4
18  B7R0.5  CCOC(=O)C(C)N HY-W099247 [0,1,1,0,0,0|1,0,1]=4
19  B7R0.7  CCOC(=O)CNC HY-Y1144 [0,1,1,0,0,0|1,0,1]=4
20  B7R0.4  NCCNCC(=O)O HY-W012883 [0,1,1,0,0,0|2,0,0]=4
21  B7R0.4  O=C(O)COCCO HY-W591338A [0,1,1,0,0,0|2,0,0]=4
22  B7R0.4  O=C(O)COCCO HY-W591338B [0,1,1,0,0,0|2,0,0]=4
23  B7R0.4  O=C(O)COCCS HY-140728 [0,1,1,0,0,0|2,0,0]=4
24  B7R0.1  C=CCCCCCO HY-W127475 [0,1,1,0,0,0|0,0,2]=4
25  B7R1.1  O=CC1=CC=CN1 HY-77817 [0,1,0,0,1,0|1,0,1]=4
26  B7R1.1  O=CC1=COC=C1 HY-76224 [0,1,0,0,1,0|1,0,1]=4
27  B7R1.1  O=CN1CCCC1 HY-W102648 [0,1,0,0,1,0|1,0,1]=4
28  B7R1.1  O=NN1CCCC1 HY-W141077 [0,1,0,0,1,0|1,0,1]=4
29  B7R1.2  O=C1CCC(=O)[15NH]1 HY-41877S [0,1,0,0,1,0|1,0,0]=3
30  B7R1.4  CC1OCCC1=O HY-W010608 [0,1,0,0,1,0|1,0,1]=4
31  B7R1.4  NN1CCOC1=O HY-W012982 [0,1,0,0,1,0|2,0,0]=4
32  B7R1.14  O=S1(=O)CCCO1 HY-W010479 [0,1,0,0,1,0|2,0,0]=4
33  B9R1.69  NC1CCC(=O)NC1=O HY-34590 [0,2,0,0,0,0|1,0,0]=3
34  B9R1.69  O=C1NCC(F)C(=O)N1 HY-134160 [0,2,0,0,0,0|2,0,0]=4
35  B9R1.3  CC1C(=O)CCCC1=O HY-W018778 [0,2,0,0,0,0|0,0,1]=3