0  B5R0.1  C(CN)C(=O)N HAA5550 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  C(CN)C(=O)O HAA1003 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.1  C(CS)C(=O)O RL-1000 [0,0,0,0,0,0|2,0,2]=4
3  B5R0.1  CNCC(=O)N HAA1581 [0,0,0,0,0,0|2,0,1]=3
4  B5R0.1  CNCC(=O)O HAA1192 [0,0,0,0,0,0|2,0,1]=3
5  B4R0.1  C(C(=O)N)N HAA6570 [1,0,0,0,0,0|2,0,1]=4
6  B4R0.1  CN(C)C=O SOL-004 [1,0,0,0,0,0|3,0,0]=4
7  B4R0.2  CCOCC SOL-005 [1,0,0,0,0,0|1,0,2]=4
8  B6R0.1  CCOC(=O)CN HAA6590 [0,1,0,0,0,0|1,0,1]=3
9  B6R0.1  CNCC(=O)OC HAA7240 [0,1,0,0,0,0|1,0,1]=3
10  B6R0.1  COC(=O)CCN HAA5560 [0,1,0,0,0,0|1,0,2]=4
11  B6R0.2  *[C@@H](C)CC(=O)* EZK9050 [0,1,0,0,0,0|1,0,2]=4
12  B6R0.2  C[C@@H](CC(=O)O)N HAA8470 [0,1,0,0,0,0|1,0,2]=4
13  B6R0.2  C[C@H](CC(=O)O)N HAA8430 [0,1,0,0,0,0|1,0,2]=4
14  B6R0.3  CC[C@@H](C(=O)O)N HAA1247 [0,1,0,0,0,0|1,0,2]=4
15  B6R0.3  CC[C@H](C(=O)O)N HAA1006 [0,1,0,0,0,0|1,0,2]=4
16  B6R0.3  C[C@@H](C(=O)O)NC HAA1206 [0,1,0,0,0,0|2,0,1]=4
17  B6R0.3  C[C@@H](C(=O)OC)N HAA1067 [0,1,0,0,0,0|2,0,1]=4
18  B6R0.3  C[C@H](C(=O)O)NC HAA1193 [0,1,0,0,0,0|2,0,1]=4
19  B6R0.3  C[C@H](C(=O)OC)N HAA5580 [0,1,0,0,0,0|2,0,1]=4
20  B6R0.4  C(CC(=O)O)CN HAA1061 [0,1,0,0,0,0|1,0,2]=4
21  B5R0.3  CNC(=O)CN HAA6580 [1,1,0,0,0,0|1,0,0]=3
22  B5R0.3  COC(=O)CN HAA5530 [1,1,0,0,0,0|1,0,0]=3
23  B5R0.5  C[C@@H](C(=O)N)N HAA5610 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.5  C[C@@H](C(=O)O)N HAA1066 [1,1,0,0,0,0|1,0,1]=4
25  B5R0.5  C[C@H](C(=O)N)N HAA5520 [1,1,0,0,0,0|1,0,1]=4
26  B5R0.5  C[C@H](C(=O)O)N HAA1007 [1,1,0,0,0,0|1,0,1]=4
27  B7R0.5  CCOC(=O)[C@H](C)N HAA5630 [0,2,0,0,0,0|1,0,1]=4
28  B7R0.6  CC(=O)NCC(=O)O AAA1915 [0,2,0,0,0,0|1,0,1]=4
29  B7R1.4  C1COC(=O)[C@@H]1N HAA1538 [0,1,0,1,0,0|1,0,1]=4
30  B7R1.4  C1COC(=O)[C@H]1N HAA1543 [0,1,0,1,0,0|1,0,1]=4
31  B7R1.4  C1[C@@H](C(=O)NO1)N HAA1519 [0,1,0,1,0,0|2,0,0]=4
32  B7R1.4  CN1CCCC1=O SOL-009 [0,1,0,1,0,0|0,0,2]=4