0  B15R1.12250  CC(C)CC1=CC=C(C(C)C(=O)O)C=C1 D81763 [0,0,0,0,0,0|0,0,0]=0
1  B15R1.12250  CC(C)CC1=CC=C([C@@H](C)C(=O)O)C=C1 25402 [0,0,0,0,0,0|0,0,0]=0
2  B15R1.12250  CC(C)CC1=CC=C([C@@H](C)C(=O)O)C=C1 O10202 [0,0,0,0,0,0|0,0,0]=0
3  B14R1.805  CC(=O)NC1=CC=C(CC(=O)O)C=C1 AB6003 [1,0,0,0,0,0|2,0,1]=4
4  B14R1.805  CC(C)CC1=CC=C(CC(=O)O)C=C1 CL8792 [1,0,0,0,0,0|0,0,0]=1
5  B14R1.805  CN(C)CC1=CC=C(CC(=O)O)C=C1 D80414 [1,0,0,0,0,0|1,0,0]=2
6  B14R1.805  O=C(O)CC1=CC=C(CC(=O)O)C=C1 A50729 [1,0,0,0,0,0|2,0,1]=4
7  B14R1.805  O=C(O)CC1=CC=C(OC(F)F)C=C1 CL9301 [1,0,0,0,0,0|3,0,0]=4
8  B16R1.1636  COC(=O)[C@H](C)C1=CC=C(CC(C)C)C=C1 D81971 [0,1,0,0,0,0|0,0,0]=1
9  B14R1.6402  C[C@@H](C(=O)O)C1=CC=C([N+](=O)[O-])C=C1 20514 [0,0,0,0,1,0|3,0,0]=4
10  B13R1.36  COC1=CC=C([C@@H](N)C(=O)O)C=C1 29634 [2,0,0,0,0,0|2,0,0]=4
11  B13R1.36  COC1=CC=C([C@@H](N)C(=O)O)C=C1 I10564 [2,0,0,0,0,0|2,0,0]=4
12  B13R1.36  COC1=CC=C([C@@H](O)C(=O)O)C=C1 FD1310 [2,0,0,0,0,0|2,0,0]=4
13  B13R1.36  COC1=CC=C([C@@H](O)C(=O)O)C=C1 FD1313 [2,0,0,0,0,0|2,0,0]=4
14  B13R1.36  COC1=CC=C([C@@H](O)C(=O)O)C=C1 FD1316 [2,0,0,0,0,0|2,0,0]=4
15  B13R1.36  C[C@@H](C(=O)O)C1=CC=C(CBr)C=C1 28563 [2,0,0,0,0,0|1,0,0]=3
16  B13R1.142  CCCC1=CC=C(CC(=O)O)C=C1 CK1038 [2,0,0,0,0,0|0,0,0]=2
17  B13R1.142  CCOC1=CC=C(CC(=O)O)C=C1 A50733 [2,0,0,0,0,0|1,0,0]=3
18  B13R1.142  COCC1=CC=C(CC(=O)O)C=C1 75036 [2,0,0,0,0,0|1,0,0]=3
19  B13R1.585  CC(=O)C1=CC=C(CC(C)C)C=C1 34153 [2,0,0,0,0,0|0,0,1]=3
20  B13R1.585  CC(C)CC1=CC=C(B(O)O)C=C1 74330 [2,0,0,0,0,0|2,0,0]=4
21  B13R1.585  CC(C)CC1=CC=C(C(=O)O)C=C1 D91152 [2,0,0,0,0,0|1,0,1]=4
22  B15R1.55  CCCCC1=CC=C([C@@H](C)C(=O)O)C=C1 53824 [1,1,0,0,0,0|0,0,0]=2
23  B15R1.55  CCCOC1=CC=C([C@@H](O)C(=O)O)C=C1 D82400 [1,1,0,0,0,0|1,0,0]=3
24  B17R1.4465  CC(C)(C)OC1=CC=C(C[C@H](N)C(=O)O)C=C1 51884 [0,1,0,0,0,1|2,0,0]=4
25  B15R1.499  CC(C)CC1=CC=C(CCC(=O)O)C=C1 62806 [1,0,0,0,0,1|0,0,0]=2
26  B15R1.5504  CC(C)C1=CC=C([C@@H](N)CC(=O)O)C=C1 25066 [0,0,0,0,1,1|1,0,0]=3