0  B8R0.23  C([C@@H](C(=O)O)N)C(=O)O 5088 [0,0,0,0,1,0|0,0,0]=1
1  B8R0.23  C=C(CC(=O)O)C(=O)O 5233 [0,0,0,0,1,0|1,0,1]=3
2  B8R0.23  CC(C)CC(C(=O)O)N 5503 [0,0,0,0,1,0|2,0,1]=4
3  B8R0.23  CC(C)C[C@@H](C(=O)O)N 10688 [0,0,0,0,1,0|2,0,1]=4
4  B7R0.5  C(CN)C(C(=O)O)N 5486 [2,0,0,0,0,0|1,0,0]=3
5  B7R0.5  C(CN)[C@@H](C(=O)O)O 6458 [2,0,0,0,0,0|2,0,0]=4
6  B7R0.5  C(CO)[C@@H](C(=O)O)N 10392 [2,0,0,0,0,0|0,0,0]=2
7  B7R0.6  C(CC(=O)O)C(=O)O 5823 [2,0,0,0,0,0|1,0,1]=4
8  B7R0.6  CC(=O)CCC(=O)O 6824 [2,0,0,0,0,0|1,0,1]=4
9  B9R0.47  C(CCN)CC(C(=O)O)N 6866 [1,1,0,0,0,0|1,0,1]=4
10  B9R0.47  C(CCN)C[C@@H](C(=O)O)N 6772 [1,1,0,0,0,0|1,0,1]=4
11  B9R0.53  C(C(=O)CC(=O)O)C(=O)O 6733 [1,1,0,0,0,0|0,0,1]=3
12  B9R0.79  C(C(C(=O)O)Br)(C(=O)O)Br 5774 [0,1,0,0,1,0|1,0,0]=3
13  B9R0.79  C(C(C(=O)O)Br)(C(=O)O)Br 9043 [0,1,0,0,1,0|1,0,0]=3
14  B9R0.79  C(C(C(=O)O)O)(C(=O)O)O 5766 [0,1,0,0,1,0|1,0,0]=3
15  B9R0.79  C(C(C(=O)O)O)(C(=O)O)O 5768 [0,1,0,0,1,0|1,0,0]=3
16  B9R0.79  C(C(C(=O)O)O)(C(=O)O)O 5931 [0,1,0,0,1,0|1,0,0]=3
17  B9R1.6  C1CC(CC=C1)C(=O)O 5455 [1,0,0,1,0,0|2,0,0]=4
18  B9R1.6  C1CC(CC=C1)C(=O)O 8425 [1,0,0,1,0,0|2,0,0]=4
19  B9R1.6  C1CCNC(C1)C(=O)O 5668 [1,0,0,1,0,0|1,0,1]=4
20  B9R1.6  C1CCNC(C1)C(=O)O 9852 [1,0,0,1,0,0|1,0,1]=4
21  B9R1.35  C1CC(=O)N[C@@H]1C(=O)O 5731 [1,0,0,1,0,0|0,0,0]=2
22  B9R1.69  C1CC(=O)NC(=O)C1N 10503 [1,0,0,1,0,0|1,0,0]=3
23  B9R1.163  C1CCC(C1)(C(=O)O)N 10137 [1,0,0,1,0,0|1,0,1]=4
24  B7R0.16  C[C@H]([C@@H](C(=O)O)N)O 6845 [0,0,0,0,2,0|1,0,1]=4
25  B9R0.55  CC(=O)NCCCC(=O)O 9971 [1,0,0,0,0,1|1,0,0]=3
26  B11R0.29  C(C[C@@H](C(=O)O)N)CN=C(N)N 5746 [0,0,0,0,0,2|2,0,0]=4
27  B11R0.29  C(C[C@@H](C(=O)O)N)CN=C(N)N 5992 [0,0,0,0,0,2|2,0,0]=4