0  B5R0.3  O=C[C@@H](O)CO BIB6060 [0,0,0,0,0,0|0,0,2]=2
1  B5R0.3  OCC(O)CO BIA3092 [0,0,0,0,0,0|0,0,0]=0
2  B5R0.3  OCC(O)CS BIM0178 [0,0,0,0,0,0|0,1,0]=1
3  B4R0.1  C[C@@H](N)CO BIA0108 [1,0,0,0,0,0|1,0,0]=2
4  B4R0.1  C[C@H](N)CO BIA0120 [1,0,0,0,0,0|1,0,0]=2
5  B4R0.1  NCC(=O)O BIG0503 [1,0,0,0,0,0|1,0,2]=4
6  B4R0.1  NCC(=O)O BIG0709 [1,0,0,0,0,0|1,0,2]=4
7  B6R0.1  C=CC[C@@H](N)CO BICR116 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.1  C=CC[C@H](N)CO BICR108 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.3  N[C@@H](CO)C(=O)O BIS0718 [0,1,0,0,0,0|1,0,1]=3
10  B6R0.3  N[C@@H](CS)C(=O)O BIC0706 [0,1,0,0,0,0|1,1,1]=4
11  B6R0.3  N[C@@H](CS)C(=O)O BIC0707 [0,1,0,0,0,0|1,1,1]=4
12  B6R0.3  N[C@@H](CS)C(=O)O BIC0709 [0,1,0,0,0,0|1,1,1]=4
13  B6R0.3  [C@@H](N)(CO)C(=O)O BIS2001 [0,1,0,0,0,0|1,0,1]=3
14  B6R0.8  CC(N)(CO)CO BI4545 [0,1,0,0,0,0|1,0,0]=2
15  B3R0.1  NCCS BIC2510 [2,0,0,0,0,0|1,1,0]=4
16  B3R0.2  CS(C)=O BID1200 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.5  CC(N)C(=O)O BIA0868 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.5  C[C@@H](N)C(=O)O BIA0863 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.5  C[C@H](N)C(=O)O BIA0703 [1,1,0,0,0,0|1,0,1]=4
20  B5R0.2  NCCCCN BIB6265 [1,1,0,0,0,0|2,0,0]=4
21  B5R0.2  NCCCCN BIP0733 [1,1,0,0,0,0|2,0,0]=4
22  B7R0.2  CC(C)C[C@@H](N)CO BIL0711 [0,2,0,0,0,0|2,0,0]=4
23  B7R0.10  COC(=O)[C@@H](N)CO BIS0720 [0,2,0,0,0,0|1,0,1]=4
24  B7R0.10  O=C[C@H](O)[C@H](O)CO BIFS0103 [0,2,0,0,0,0|0,0,0]=2
25  B7R0.10  OC[C@H](O)[C@H](O)CO BIB6050 [0,2,0,0,0,0|0,0,0]=2
26  B7R0.10  O[C@H](CS)[C@@H](O)CS BI8765 [0,2,0,0,0,0|0,1,0]=3
27  B7R0.10  O[C@H](CS)[C@H](O)CS BIA2948 [0,2,0,0,0,0|0,1,0]=3
28  B7R0.10  O[C@H](CS)[C@H](O)CS BIMB1015 [0,2,0,0,0,0|0,1,0]=3
29  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O BIT0719 [0,2,0,0,0,0|1,0,1]=4
30  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O BIT0724 [0,2,0,0,0,0|1,0,1]=4
31  B7R0.16  C[C@H](O)[C@@H](N)C(=O)O BIT0801 [0,2,0,0,0,0|1,0,1]=4
32  B7R0.16  C[C@H](O)[C@H](N)C(=O)O BIT0901 [0,2,0,0,0,0|1,0,1]=4
33  B7R0.18  NC(CO)(CO)CO BI2888 [0,2,0,0,0,0|0,0,0]=2
34  B7R0.18  NC(CO)(CO)CO BIT1513 [0,2,0,0,0,0|0,0,0]=2
35  B7R0.18  NC(CO)(CO)CO BIT3096 [0,2,0,0,0,0|0,0,0]=2
36  B7R0.18  NC(CO)(CO)CO BIT3097 [0,2,0,0,0,0|0,0,0]=2