0  B14R2.8188  c1ccc2c(c1)N(C(=O)C(O2)O)O CHEBI:63558 [0,0,0,0,0,0|2,0,0]=2
1  B13R2.369  Cc1cc2ccccc2[nH]c1=O CHEBI:20114 [1,0,0,0,0,0|1,0,2]=4
2  B13R2.369  c1ccc2c(c1)NC(=O)C(O2)O CHEBI:63559 [1,0,0,0,0,0|2,0,0]=3
3  B15R2.63893  c1cc2c(cc1O)OC(C(=O)N2O)O CHEBI:63746 [0,1,0,0,0,0|2,0,0]=3
4  B13R1.135  COC(=O)[C@H](Cc1ccccc1)N CHEBI:49339 [0,0,1,0,0,0|2,0,0]=3
5  B12R1.43  C1C=CCC(=C1)C[C@@H](C(=O)O)N CHEBI:27940 [1,0,1,0,0,0|0,0,2]=4
6  B12R1.43  c1ccc(cc1)CC(=O)C(=O)O CHEBI:30851 [1,0,1,0,0,0|1,0,1]=4
7  B12R1.43  c1ccc(cc1)CC(C(=O)O)N CHEBI:28044 [1,0,1,0,0,0|0,0,0]=2
8  B12R1.43  c1ccc(cc1)CC(C(=O)O)O CHEBI:25998 [1,0,1,0,0,0|1,0,0]=3
9  B12R1.43  c1ccc(cc1)CC(C(=O)O)[NH3+] CHEBI:32505 [1,0,1,0,0,0|0,0,1]=3
10  B12R1.43  c1ccc(cc1)CC(C(=O)[O-])N CHEBI:32504 [1,0,1,0,0,0|0,0,1]=3
11  B12R1.43  c1ccc(cc1)CC(C(=O)[O-])O CHEBI:8100 [1,0,1,0,0,0|1,0,1]=4
12  B12R1.43  c1ccc(cc1)C[C@@H](C(=O)N)N CHEBI:21371 [1,0,1,0,0,0|0,0,0]=2
13  B12R1.43  c1ccc(cc1)C[C@@H](C(=O)O)N CHEBI:17295 [1,0,1,0,0,0|0,0,0]=2
14  B12R1.43  c1ccc(cc1)C[C@@H](C(=O)O)O CHEBI:43065 [1,0,1,0,0,0|1,0,0]=3
15  B12R1.43  c1ccc(cc1)C[C@@H](C(=O)O)[NH3+] CHEBI:32487 [1,0,1,0,0,0|0,0,1]=3
16  B12R1.43  c1ccc(cc1)C[C@@H](C(=O)[O-])N CHEBI:32486 [1,0,1,0,0,0|0,0,1]=3
17  B12R1.43  c1ccc(cc1)C[C@@H](C(=O)[O-])O CHEBI:32979 [1,0,1,0,0,0|1,0,1]=4
18  B12R1.43  c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] CHEBI:58095 [1,0,1,0,0,0|0,0,2]=4
19  B12R1.43  c1ccc(cc1)C[C@H](C(=O)O)N CHEBI:16998 [1,0,1,0,0,0|0,0,0]=2
20  B12R1.43  c1ccc(cc1)C[C@H](C(=O)O)O CHEBI:32978 [1,0,1,0,0,0|1,0,0]=3
21  B12R1.43  c1ccc(cc1)C[C@H](C(=O)O)[NH3+] CHEBI:32495 [1,0,1,0,0,0|0,0,1]=3
22  B12R1.43  c1ccc(cc1)C[C@H](C(=O)[O-])N CHEBI:32494 [1,0,1,0,0,0|0,0,1]=3
23  B12R1.43  c1ccc(cc1)C[C@H](C(=O)[O-])O CHEBI:11009 [1,0,1,0,0,0|1,0,1]=4
24  B12R1.43  c1ccc(cc1)C[C@H](C(=O)[O-])[NH3+] CHEBI:57981 [1,0,1,0,0,0|0,0,2]=4
25  B12R2.24  c1ccc2c(c1)CCC(=O)O2 CHEBI:16151 [2,0,0,0,0,0|1,0,0]=3
26  B12R2.24  c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [2,0,0,0,0,0|0,0,2]=4
27  B12R2.1081  CN1CCCc2c1cccc2 CHEBI:190941 [2,0,0,0,0,0|1,0,1]=4
28  B14R1.134  COC(=O)[C@H](Cc1ccc(cc1)O)N CHEBI:17215 [0,1,1,0,0,0|2,0,0]=4
29  B16R2.197061  COc1ccc2c(c1)OC(C(=O)N2O)O CHEBI:18048 [0,2,0,0,0,0|2,0,0]=4
30  B12R2.18  c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [1,0,0,0,1,0|2,0,0]=4