0  B6R0.1  CCOC(=O)CN HAA6590 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  C(CN)C(=O)N HAA5550 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.1  C(CN)C(=O)O HAA1003 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.1  C(CS)C(=O)O RL-1000 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.1  CNCC(=O)N HAA1581 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.1  CNCC(=O)O HAA1192 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.5  CCC[C@@H](C(=O)O)N HAA1114 [0,1,0,0,0,0|1,0,2]=4
7  B7R0.5  CCC[C@H](C(=O)O)N HAA1040 [0,1,0,0,0,0|1,0,2]=4
8  B7R1.4  CN1CCCC1=O SOL-009 [0,0,0,1,0,0|1,0,1]=3
9  B4R0.1  C(C(=O)N)N HAA6570 [2,0,0,0,0,0|2,0,0]=4
10  B4R0.1  CN(C)C=O SOL-004 [2,0,0,0,0,0|1,0,0]=3
11  B4R0.2  CCOCC SOL-005 [2,0,0,0,0,0|1,0,1]=4
12  B6R0.2  *[C@@H](C)CC(=O)* EZK9050 [1,1,0,0,0,0|1,0,1]=4
13  B6R0.2  C[C@@H](CC(=O)O)N HAA8470 [1,1,0,0,0,0|1,0,1]=4
14  B6R0.2  C[C@H](CC(=O)O)N HAA8430 [1,1,0,0,0,0|1,0,1]=4
15  B6R0.3  CC[C@@H](C(=O)O)N HAA1247 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.3  CC[C@H](C(=O)O)N HAA1006 [1,1,0,0,0,0|1,0,1]=4
17  B6R0.4  C(CC(=O)O)CN HAA1061 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.12  CCC[C@@](C)(C(=O)O)N HAA1635 [0,2,0,0,0,0|0,0,2]=4
19  B8R0.12  CCC[C@](C)(C(=O)O)N HAA1558 [0,2,0,0,0,0|0,0,2]=4
20  B8R1.3  Cc1ccc(cc1)C BR-5085 [0,1,0,1,0,0|1,0,1]=4
21  B8R1.3  Cc1ccc(cc1)C BR-5086 [0,1,0,1,0,0|1,0,1]=4
22  B8R1.50  C1CC(=O)N(C1=O)O RL-1038 [0,1,0,1,0,0|2,0,0]=4
23  B8R1.7  C1C[C@@H](NC1)C(=O)N HAA1047 [0,1,0,1,0,0|1,0,1]=4
24  B8R1.7  C1C[C@@H](NC1)C(=O)O HAA1048 [0,1,0,1,0,0|1,0,1]=4
25  B8R1.7  C1C[C@H](NC1)C(=O)N HAA7160 [0,1,0,1,0,0|1,0,1]=4
26  B8R1.7  C1C[C@H](NC1)C(=O)O HAA1126 [0,1,0,1,0,0|1,0,1]=4