0  B9R0.39  CC(=O)N[C@@H](CS)C(O)=O HY-B0215 [0,0,0,0,0,0|0,0,0]=0
1  B9R0.39  CN[C@H](CC(O)=O)C(O)=O HY-17551 [0,0,0,0,0,0|4,0,0]=4
2  B8R0.23  C[C@@H](CC(=O)O)C(=O)O LN01743142 [1,0,0,0,0,0|2,0,0]=3
3  B8R0.23  C[C@H](NC(C)=O)C(O)=O AC190198 [1,0,0,0,0,0|0,0,0]=1
4  B8R0.23  C[C@H](OC(C)=O)C(O)=O AC020546 [1,0,0,0,0,0|1,0,0]=2
5  B8R0.23  O[C@H](CC(O)=O)C(O)=O AC180071 [1,0,0,0,0,0|2,1,0]=4
6  B10R1.64  CC(=O)NC1CCSC1=O HY-B0931 [0,0,0,1,0,0|1,1,0]=3
7  B10R1.442  CC(=O)NC1(CC1)C(O)=O AC511296 [0,0,0,1,0,0|1,0,0]=2
8  B7R0.15  CCC(CC)C(O)=O AC190325 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.6  CC(=O)CCC(C)=O AC130061 [2,0,0,0,0,0|2,0,0]=4
10  B9R0.23  COC(=O)C(=C)NC(C)=O AC180299 [1,1,0,0,0,0|0,0,2]=4
11  B11R0.108  COC(=O)N[C@H](C(C)C)C(O)=O AC270032 [0,2,0,0,0,0|1,0,0]=3
12  B9R1.6  C1CNC(CN1)C(=O)O LN00009512 [1,0,0,1,0,0|1,0,1]=4
13  B9R1.6  OC(=O)C1CCCCN1 AC130051 [1,0,0,1,0,0|1,0,1]=4
14  B9R1.6  OC(=O)C1CCCCN1 AC510756 [1,0,0,1,0,0|1,0,1]=4
15  B9R1.6  OC(=O)C1CNCCN1 AC180739 [1,0,0,1,0,0|1,0,1]=4
16  B9R1.6  OC(=O)C1COCCN1 AC170096 [1,0,0,1,0,0|0,1,1]=4
17  B9R1.6  OC(=O)[C@@H]1CNCCN1 AC020777 [1,0,0,1,0,0|1,0,1]=4
18  B9R1.6  OC(=O)[C@@H]1COCCN1 AC181656 [1,0,0,1,0,0|0,1,1]=4
19  B9R1.6  OC(=O)[C@H]1CCCCN1 AC180578 [1,0,0,1,0,0|1,0,1]=4
20  B9R1.6  OC(=O)[C@H]1CNCCN1 AC181744 [1,0,0,1,0,0|1,0,1]=4
21  B9R1.35  OC(=O)C1CCC(=O)C1 AC160621 [1,0,0,1,0,0|2,0,0]=4
22  B9R1.35  OC(=O)C1CCC(=O)N1 AC511521 [1,0,0,1,0,0|1,0,0]=3
23  B9R1.35  OC(=O)[C@@H]1CCC(=O)N1 AC190184 [1,0,0,1,0,0|1,0,0]=3
24  B9R1.35  OC(=O)[C@H]1CCC(=O)N1 AC180591 [1,0,0,1,0,0|1,0,0]=3
25  B9R1.69  C[C@@H]1NC(=O)CNC1=O AC020921 [1,0,0,1,0,0|1,0,0]=3
26  B9R1.168  OC(=O)C1(CC1)C(O)=O AC180303 [0,0,0,1,1,0|2,0,0]=4
27  B11R1.178  CC(=O)N1CCC[C@H]1C(O)=O AC190273 [0,1,0,1,0,0|1,0,0]=3
28  B9R0.7  CC(=O)OC[C@H](N)C(O)=O HY-101409 [1,0,0,0,0,1|2,0,0]=4