0  B5R0.3  CNC(=O)CN HAA6580 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.3  COC(=O)CN HAA5530 [0,0,0,0,0,0|1,0,1]=2
2  B4R0.1  C(C(=O)N)N HAA6570 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  CN(C)C=O SOL-004 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.2  COCCBr S-30131 [1,0,0,0,0,0|1,0,2]=4
5  B4R0.2  COCCBr S-30901 [1,0,0,0,0,0|1,0,2]=4
6  B4R0.2  COCCN HL12132 [1,0,0,0,0,0|1,0,2]=4
7  B4R0.2  COCCN HL12902 [1,0,0,0,0,0|1,0,2]=4
8  B4R0.2  COCCO S-30130 [1,0,0,0,0,0|1,0,2]=4
9  B4R0.2  COCCO S-30900 [1,0,0,0,0,0|1,0,2]=4
10  B4R0.2  COCCS HL12134 [1,0,0,0,0,0|1,0,2]=4
11  B4R0.2  COCCS HL12904 [1,0,0,0,0,0|1,0,2]=4
12  B6R0.1  CCOC(=O)CN HAA6590 [0,1,0,0,0,0|1,0,1]=3
13  B6R0.1  CNCC(=O)OC HAA7240 [0,1,0,0,0,0|0,0,2]=3
14  B6R0.1  COC(=O)CCN HAA5560 [0,1,0,0,0,0|0,0,2]=3
15  B6R0.3  C[C@@H](C(=O)OC)N HAA1067 [0,1,0,0,0,0|0,0,2]=3
16  B6R0.3  C[C@H](C(=O)OC)N HAA5580 [0,1,0,0,0,0|0,0,2]=3
17  B5R0.1  C(CN)C(=O)N HAA5550 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.1  C(CN)C(=O)O HAA1003 [1,1,0,0,0,0|0,0,2]=4
19  B5R0.1  C(CS)C(=O)O RL-1000 [1,1,0,0,0,0|0,0,2]=4
20  B5R0.1  CNCC(=O)N HAA1581 [1,1,0,0,0,0|2,0,0]=4
21  B5R0.1  CNCC(=O)O HAA1192 [1,1,0,0,0,0|0,0,2]=4
22  B5R0.5  *[C@H](N)C(=O)O EZK9040 [1,1,0,0,0,0|1,0,1]=4
23  B5R0.5  C[C@@H](C(=O)N)N HAA5610 [1,1,0,0,0,0|2,0,0]=4
24  B5R0.5  C[C@@H](C(=O)O)N HAA1066 [1,1,0,0,0,0|0,0,2]=4
25  B5R0.5  C[C@H](C(=O)N)N HAA5520 [1,1,0,0,0,0|2,0,0]=4
26  B5R0.5  C[C@H](C(=O)O)N HAA1007 [1,1,0,0,0,0|0,0,2]=4
27  B7R0.5  CCOC(=O)[C@H](C)N HAA5630 [0,2,0,0,0,0|0,0,2]=4
28  B7R0.10  COC(=O)[C@@H](CO)N HAA6540 [0,2,0,0,0,0|0,0,2]=4
29  B7R0.10  COC(=O)[C@H](CO)N HAA7210 [0,2,0,0,0,0|0,0,2]=4
30  B7R0.14  CC(C)(C(=O)OC)N HAA7610 [0,2,0,0,0,0|0,0,2]=4
31  B7R1.4  C1COC(=O)[C@@H]1N HAA1538 [0,1,0,1,0,0|0,0,2]=4
32  B7R1.4  C1COC(=O)[C@H]1N HAA1543 [0,1,0,1,0,0|0,0,2]=4
33  B7R1.4  C1[C@@H](C(=O)NO1)N HAA1519 [0,1,0,1,0,0|1,0,1]=4