0  B5R0.1  CC(=O)OCBr BIM590 [0,0,0,0,0,0|1,0,1]=2
1  B5R0.1  CNCC(=O)O BIS0907 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  NC(=O)NO BIH0153 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  NCC(=O)O BIG0503 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  NCC(=O)O BIG0709 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.1  C=CC[C@@H](N)CO BICR116 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.1  C=CC[C@H](N)CO BICR108 [0,1,0,0,0,0|2,0,1]=4
7  B3R0.2  CS(C)=O BID1200 [2,0,0,0,0,0|1,0,1]=4
8  B3R0.2  NC(N)=O BIU4110 [2,0,0,0,0,0|2,0,0]=4
9  B5R0.5  CC(=O)C(=O)[O-] BIB6270 [1,1,0,0,0,0|1,0,0]=3
10  B5R0.5  CC(=O)C([13CH3])=O BID0431 [1,1,0,0,0,0|0,0,1]=3
11  B5R0.5  CC(=O)N(C)C BIA3145 [1,1,0,0,0,0|1,0,1]=4
12  B7R0.5  CCOC(=O)[C@H](C)N BIA0106 [0,2,0,0,0,0|0,0,2]=4
13  B7R0.6  CC(=O)NCC(=O)O BIA1745 [0,2,0,0,0,0|1,0,1]=4
14  B5R1.1  C1=CNC=N1 BI7565 [1,0,0,1,0,0|2,0,0]=4
15  B5R1.1  C1=CNC=N1 BID0565 [1,0,0,1,0,0|2,0,0]=4
16  B7R1.2  O=C1CCC(=O)N1 BI224 [0,1,0,1,0,0|1,0,1]=4
17  B7R1.4  N[C@H]1CCOC1=O BIH4006 [0,1,0,1,0,0|0,0,2]=4