0  B15R1.12250  CC(C)CC1=CC=C(C=C1)[C@H](C)C(=O)O T159557 [0,0,0,0,0,0|0,0,0]=0
1  B14R1.141  CCOC1=CC=C(C=C1)C(=O)C(=O)O R262625 [1,0,0,0,0,0|2,0,1]=4
2  B14R1.717  CC(C)CC1=CC=C(C=C1)/C(=N/O)/N PH015338 [1,0,0,0,0,0|2,0,1]=4
3  B14R1.805  CC(=O)NC1=CC=C(C=C1)CC(=O)O PH011778 [1,0,0,0,0,0|2,0,1]=4
4  B14R1.805  CC(=O)OC1=CC=C(C=C1)CC(=O)O PH008311 [1,0,0,0,0,0|2,0,1]=4
5  B14R1.805  CC(C)CC1=CC=C(C=C1)CC(=O)O PH009707 [1,0,0,0,0,0|0,0,0]=1
6  B16R1.1636  CC(C)CC1=CC=C(C=C1)C(C)C(N)N=O PH018444 [0,1,0,0,0,0|1,0,1]=3
7  B16R1.1636  COC(=O)C(C)C1=CC=C(C=C1)CC(C)C CDS017839 [0,1,0,0,0,0|0,0,0]=1
8  B16R1.1677  CCC(C(=O)O)C1=CC=C(C=C1)CC(C)C L128198 [0,1,0,0,0,0|0,0,0]=1
9  B16R1.4124  CC(C(=O)O)C1=CC=C(C=C1)OC(F)(F)F CDS013874 [0,1,0,0,0,0|3,0,0]=4
10  B14R1.6402  CC(C)C1=CC=C(C=C1)C(O)C(=O)O PH010353 [0,0,0,0,1,0|1,0,0]=2
11  B16R1.1282  C/C(=C\C(=O)O)/C1=CC=C(C=C1)CC(C)C L129291 [0,0,0,0,0,1|0,0,1]=2
12  B16R1.1282  CC(C)OC1=CC=C(C=C1)C(C)CC(=O)O L128430 [0,0,0,0,0,1|1,0,0]=2
13  B16R1.1283  CC(C)CC1=CC=C(C=C1)CC(Br)C(=O)O R949035 [0,0,0,0,0,1|1,0,0]=2
14  B13R1.36  COC1=CC=C(C=C1)C(Br)C(=O)O PH016225 [2,0,0,0,0,0|2,0,0]=4
15  B13R1.142  CCCC1=CC=C(C=C1)CC(=O)C ASX00070 [2,0,0,0,0,0|1,0,0]=3
16  B13R1.142  CCCC1=CC=C(C=C1)CC(=O)O CDS018466 [2,0,0,0,0,0|0,0,0]=2
17  B13R1.585  CC(C)CC1=CC=C(C=C1)C(=O)O PH011464 [2,0,0,0,0,0|1,0,1]=4
18  B15R1.5387  CC(C)OC1=CC=C(C=C1Cl)CC(=O)O L127663 [1,1,0,0,0,0|1,0,0]=3
19  B17R1.2790  CCC(CC(=O)O)C1=CC=C(C=C1)CC(C)C T136018 [0,1,0,0,0,1|0,0,0]=2
20  B17R1.5025  CCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C MNO000102 [0,2,0,0,0,0|0,0,0]=2
21  B15R1.16  CCOC1=CC=C(C=C1)CC(N)C(=O)O PH010855 [1,0,0,0,0,1|2,0,0]=4
22  B15R1.16  CCOC1=CC=C(C=C1)C[C@@H](N)C(=O)O PH009883 [1,0,0,0,0,1|2,0,0]=4
23  B15R1.16  [C@H](N)(CC1=CC=C(C=C1)OCC)C(=O)O PH011721 [1,0,0,0,0,1|2,0,0]=4
24  B15R1.495  CC(C)C1=CC=C(C=C1)CC(C)C(=O)O T158518 [0,0,0,0,1,1|0,0,0]=2
25  B15R1.5504  CC(C)C1=CC=C(C=C1)C(C)CC(=O)O T135917 [0,0,0,0,1,1|0,0,0]=2
26  B15R1.5504  CC(C)C1=CC=C(C=C1)C(N)CC(=O)O BBO000365 [0,0,0,0,1,1|1,0,0]=3
27  B17R1.9287  CC(C)CCC1=CC=C(C=C1)C(C)CC(=O)O L127795 [0,0,0,0,0,2|0,0,0]=2