0  B11R1.91  CC(=O)OCC1=CC=CC=C1 723 [0,0,0,0,0,0|3,0,0]=3
1  B10R1.17  C1=CC=C(C=C1)\C=C\CO 743 [1,0,0,0,0,0|1,0,2]=4
2  B12R1.43  C1=CC=C(C=C1)C[C@@H](C(=O)O)N 752 [0,1,0,0,0,0|1,0,0]=2
3  B12R1.107  CC(C1=CC=CC=C1)OC(=O)C 787 [0,1,0,0,0,0|3,0,0]=4
4  B12R2.24  C1=CC=C2C(=C1)C=CC(=O)O2 49 [0,0,0,1,0,0|1,0,1]=3
5  B10R1.18  C1=CC=C(C=C1)NC(=S)N 119 [0,0,0,0,1,0|2,1,0]=4
6  B10R1.18  CC(=S)NC1=CC=CC=C1 695 [0,0,0,0,1,0|2,1,0]=4
7  B10R1.18  CC(CC1=CC=CC=C1)N 262 [0,0,0,0,1,0|2,0,1]=4
8  B10R1.18  CC(CC1=CC=CC=C1)N 263 [0,0,0,0,1,0|2,0,1]=4
9  B10R1.18  C[C@@H](CC1=CC=CC=C1)N 170 [0,0,0,0,1,0|2,0,1]=4
10  B9R1.8  C1=CC=C(C=C1)CC=O 746 [2,0,0,0,0,0|0,0,0]=2
11  B9R1.8  C1=CC=C(C=C1)CCO 750 [2,0,0,0,0,0|0,0,1]=3
12  B11R1.28  C1=CC=C(C=C1)CCN=C=O 974 [1,1,0,0,0,0|1,0,1]=4
13  B11R1.28  C1=CC=C(C=C1)CCOC=O 760 [1,1,0,0,0,0|1,0,0]=3
14  B11R1.20  CC(=O)NC1=CC=C(C=C1)O 121 [0,1,0,0,1,0|2,0,0]=4
15  B11R1.509  CC(C)(CC1=CC=CC=C1)O 715 [0,1,0,0,1,0|1,0,1]=4
16  B13R1.14  COC(=O)\C=C/C1=CC=C(C=C1)O 1032 [0,2,0,0,0,0|1,0,1]=4
17  B13R1.14  COC(=O)\C=C\C1=CC=C(C=C1)O 1033 [0,2,0,0,0,0|1,0,1]=4
18  B13R1.133  C1=CC(=CC=C1C[C@@H](C(=O)O)N)O 1151 [0,2,0,0,0,0|1,0,0]=3
19  B13R1.511  C1=CC(=C(C=C1\C=C\C(=O)O)O)O 1317 [0,2,0,0,0,0|1,0,1]=4
20  B13R1.528  CC1=CC=CC=C1OCC(CO)O 303 [0,2,0,0,0,0|0,0,2]=4
21  B13R2.155  C1=CC(=CC2=C1C=CC(=O)O2)O 672 [0,1,0,1,0,0|1,0,1]=4
22  B13R2.435  C1=CC=C2C(=C1)C=C(O2)C(=O)O 159 [0,1,0,1,0,0|0,0,1]=3
23  B13R2.3683  CC1=CC2=C(C=C1)OC(=O)C=C2 754 [0,1,0,1,0,0|1,0,1]=4
24  B9R1.6  C1=CC=C(C=C1)C(=O)N 57 [0,0,0,0,2,0|1,0,0]=3
25  B9R1.6  C1=CC=C(C=C1)C(=O)[O-] 67 [0,0,0,0,2,0|0,0,1]=3
26  B9R1.6  CC(=O)C1=CC=CC=C1 713 [0,0,0,0,2,0|1,0,0]=3
27  B13R1.337  C1=CC=C(C=C1)CCCOC(=O)N 387 [0,0,0,0,0,2|2,0,0]=4
28  B13R1.337  CC(=O)OCCCC1=CC=CC=C1 779 [0,0,0,0,0,2|2,0,0]=4