0  B3R0.1  C#CCN PEG2755 [0,0,0,0,0,0|1,0,2]=3
1  B3R0.1  C(CO)N HAL1020 [0,0,0,0,0,0|1,1,0]=2
2  B3R0.1  C(CS)N HAL1551 [0,0,0,0,0,0|1,0,0]=1
3  B3R0.1  C(CS)S RL-1097 [0,0,0,0,0,0|1,0,0]=1
4  B2R0.1  C(Cl)Cl SOL-002 [1,0,0,0,0,0|2,0,0]=3
5  B2R0.1  CC#N SOL-013 [1,0,0,0,0,0|1,0,1]=3
6  B2R0.1  CSC RL-1098 [1,0,0,0,0,0|1,0,0]=2
7  B4R0.1  C(C(=O)N)N HAA6570 [0,1,0,0,0,0|1,1,1]=4
8  B4R0.1  CN(C)C=O SOL-004 [0,1,0,0,0,0|1,1,1]=4
9  B4R0.1  C[C@@H](CN)O FAL1033 [0,1,0,0,0,0|1,0,0]=2
10  B4R0.1  C[C@H](CO)N FAL1004 [0,1,0,0,0,0|0,1,0]=2
11  B4R0.2  CCOCC SOL-005 [0,1,0,0,0,0|1,0,0]=2
12  B4R0.2  COCCBr S-30131 [0,1,0,0,0,0|1,0,0]=2
13  B4R0.2  COCCBr S-30901 [0,1,0,0,0,0|1,0,0]=2
14  B4R0.2  COCCN HL12132 [0,1,0,0,0,0|1,0,0]=2
15  B4R0.2  COCCN HL12902 [0,1,0,0,0,0|1,0,0]=2
16  B4R0.2  COCCO S-30130 [0,1,0,0,0,0|0,1,0]=2
17  B4R0.2  COCCO S-30900 [0,1,0,0,0,0|0,1,0]=2
18  B4R0.2  COCCS HL12134 [0,1,0,0,0,0|0,0,0]=1
19  B4R0.2  COCCS HL12904 [0,1,0,0,0,0|0,0,0]=1
20  B1R0.1  CO SOL-008 [2,0,0,0,0,0|0,1,0]=3
21  B5R0.1  C(CN)C(=O)N HAA5550 [0,2,0,0,0,0|0,1,1]=4
22  B5R0.1  C(CN)C(=O)O HAA1003 [0,2,0,0,0,0|0,1,1]=4
23  B5R0.1  C(CS)C(=O)O RL-1000 [0,2,0,0,0,0|0,0,1]=3
24  B5R0.1  CNCC(=O)N HAA1581 [0,2,0,0,0,0|0,1,1]=4
25  B5R0.1  CNCC(=O)O HAA1192 [0,2,0,0,0,0|0,1,1]=4
26  B5R0.3  CNC(=O)CN HAA6580 [0,2,0,0,0,0|1,0,1]=4
27  B5R0.3  COC(=O)CN HAA5530 [0,2,0,0,0,0|1,0,1]=4
28  B5R0.4  C(C(F)(F)F)O SOL-015 [0,2,0,0,0,0|1,1,0]=4
29  B5R0.5  C[C@@H](C(=O)N)N HAA5610 [0,2,0,0,0,0|0,1,1]=4
30  B5R0.5  C[C@@H](C(=O)O)N HAA1066 [0,2,0,0,0,0|0,1,1]=4
31  B5R0.5  C[C@H](C(=O)N)N HAA5520 [0,2,0,0,0,0|0,1,1]=4
32  B5R0.5  C[C@H](C(=O)O)N HAA1007 [0,2,0,0,0,0|0,1,1]=4
33  B5R0.2  C(CCN)CN HNN1070 [0,2,0,0,0,0|1,0,0]=3
34  B5R0.2  C(CCN)CN HNN1080 [0,2,0,0,0,0|1,0,0]=3