0  B2R0.1  C(Cl)Cl SOL-002 [1,0,0,0,0,0|2,0,1]=4
1  B2R0.1  CC#N SOL-013 [1,0,0,0,0,0|1,0,2]=4
2  B2R0.1  CSC RL-1098 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  C(C(=O)N)N HAA6570 [0,1,0,0,0,0|0,0,2]=3
4  B4R0.1  C[C@@H](CN)O FAL1033 [0,1,0,0,0,0|1,0,1]=3
5  B4R0.1  C[C@H](CO)N FAL1004 [0,1,0,0,0,0|1,0,1]=3
6  B1R0.1  CO SOL-008 [2,0,0,0,0,0|0,0,1]=3
7  B3R0.1  C#CCN PEG2755 [1,1,0,0,0,0|1,0,1]=4
8  B3R0.1  C(CO)N HAL1020 [1,1,0,0,0,0|0,0,1]=3
9  B3R0.1  C(CS)N HAL1551 [1,1,0,0,0,0|0,1,1]=4
10  B5R0.1  C(CN)C(=O)N HAA5550 [0,2,0,0,0,0|0,0,2]=4
11  B5R0.1  C(CN)C(=O)O HAA1003 [0,2,0,0,0,0|1,0,0]=3
12  B5R0.1  C(CS)C(=O)O RL-1000 [0,2,0,0,0,0|2,0,0]=4
13  B5R0.1  CNCC(=O)N HAA1581 [0,2,0,0,0,0|0,0,2]=4
14  B5R0.1  CNCC(=O)O HAA1192 [0,2,0,0,0,0|1,0,0]=3
15  B5R0.3  CNC(=O)CN HAA6580 [0,2,0,0,0,0|0,0,2]=4
16  B5R0.3  COC(=O)CN HAA5530 [0,2,0,0,0,0|1,0,0]=3
17  B5R0.5  *[C@H](N)C(=O)O EZK9040 [0,2,0,0,0,0|1,0,0]=3
18  B5R0.5  C[C@@H](C(=O)N)N HAA5610 [0,2,0,0,0,0|0,0,2]=4
19  B5R0.5  C[C@@H](C(=O)O)N HAA1066 [0,2,0,0,0,0|1,0,0]=3
20  B5R0.5  C[C@H](C(=O)N)N HAA5520 [0,2,0,0,0,0|0,0,2]=4
21  B5R0.5  C[C@H](C(=O)O)N HAA1007 [0,2,0,0,0,0|1,0,0]=3