0  B15R1.12250  CC(C)CC1=CC=C(C(C)C(=O)O)C=C1 RT19085 [0,0,0,0,0,0|0,0,0]=0
1  B15R1.12250  CC(C)CC1=CC=C(C(C)C(=O)O)C=C1 YH07943 [0,0,0,0,0,0|0,0,0]=0
2  B14R1.141  CCCC1=CC=C(C(C)C(=O)O)C=C1 RT12801 [1,0,0,0,0,0|0,0,0]=1
3  B14R1.717  CC(C)CC1=CC=C(C(C)CO)C=C1 RT10569 [1,0,0,0,0,0|0,0,1]=2
4  B14R1.805  CC(=O)NC1=CC=C(CC(=O)O)C=C1 RT12787 [1,0,0,0,0,0|2,0,1]=4
5  B14R1.805  O=C(O)CC1=CC=C(CC(=O)O)C=C1 LQ3257 [1,0,0,0,0,0|2,0,1]=4
6  B16R1.1677  CCC(C(=O)O)C1=CC=C(CC(C)C)C=C1 RT12601 [0,1,0,0,0,0|0,0,0]=1
7  B16R1.1677  CC[C@@H](C(=O)O)C1=CC=C(CC(C)C)C=C1 RT7325 [0,1,0,0,0,0|0,0,0]=1
8  B16R1.4124  CC(C(=O)O)C1=CC=C(CC(C)(C)O)C=C1 RT11792 [0,1,0,0,0,0|0,0,0]=1
9  B16R1.18085  CC(C)CC1=CC=C(C(C)(O)C(=O)O)C=C1 RT12615 [0,1,0,0,0,0|0,0,0]=1
10  B16R1.24540  CC(C(=O)O)C1=CC=C(C(Br)C(C)C)C=C1 RT6379 [0,1,0,0,0,0|0,0,0]=1
11  B16R1.24540  CC(C(=O)O)C1=CC=C(C(O)C(C)C)C=C1 RT10575 [0,1,0,0,0,0|0,0,0]=1
12  B16R1.24540  CC(C)C(=O)C1=CC=C(C(C)C(=O)O)C=C1 RT10580 [0,1,0,0,0,0|0,0,1]=2
13  B14R1.6402  CC(C(=O)O)C1=CC=C(C(=O)O)C=C1 RT10581 [0,0,0,0,1,0|2,0,1]=4
14  B13R1.36  CC(C(=O)O)C1=CC=C(C=O)C=C1 RT10574 [2,0,0,0,0,0|1,0,1]=4
15  B13R1.36  CC(C(=O)O)C1=CC=C(CBr)C=C1 CJ2198 [2,0,0,0,0,0|1,0,0]=3
16  B13R1.36  CCC1=CC=C(C(C)C(=O)O)C=C1 RT10620 [2,0,0,0,0,0|0,0,0]=2
17  B13R1.36  COC1=CC=C(C(N)C(=O)O)C=C1 YH43840 [2,0,0,0,0,0|2,0,0]=4
18  B13R1.36  COC1=CC=C(C(O)C(=O)O)C=C1 LQ3443 [2,0,0,0,0,0|2,0,0]=4
19  B13R1.142  CCCC1=CC=C(CC(=O)O)C=C1 LT2347 [2,0,0,0,0,0|0,0,0]=2
20  B13R1.585  CC(=O)C1=CC=C(CC(C)C)C=C1 RT10571 [2,0,0,0,0,0|0,0,1]=3
21  B13R1.585  CC(C)CC1=CC=C(C(C)O)C=C1 RT12536 [2,0,0,0,0,0|0,0,0]=2
22  B15R1.55  CCCOC1=CC=C(C(O)C(=O)O)C=C1 XJ6406 [1,1,0,0,0,0|1,0,0]=3
23  B17R1.4465  CC(C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1 LQ4106 [0,1,0,0,0,1|2,0,0]=4
24  B17R1.5025  CCOC(=O)C(C)C1=CC=C(CC(C)C)C=C1 RT16146 [0,2,0,0,0,0|0,0,0]=2
25  B17R2.3226  CC(C)OC1=CC=C(C2CNC(=O)C2)C=C1 LX2159 [0,0,0,1,0,1|2,0,0]=4
26  B15R1.12261  CC(C)CC1=CC(C(C)C(=O)O)=CC=C1 RT10740 [0,0,0,0,1,1|0,0,0]=2