0  B3R0.1  C#CCN PEG2755 [0,0,0,0,0,0|3,0,1]=4
1  B3R0.1  C(CO)N HAL1020 [0,0,0,0,0,0|4,0,0]=4
2  B3R0.1  C(CS)N HAL1551 [0,0,0,0,0,0|4,0,0]=4
3  B3R0.1  C(CS)S RL-1097 [0,0,0,0,0,0|4,0,0]=4
4  B2R0.1  C(Cl)Cl SOL-002 [1,0,0,0,0,0|3,0,0]=4
5  B2R0.1  CC#N SOL-013 [1,0,0,0,0,0|2,0,0]=3
6  B2R0.1  CSC RL-1098 [1,0,0,0,0,0|0,0,0]=1
7  B4R0.1  CN(C)C=O SOL-004 [0,1,0,0,0,0|3,0,0]=4
8  B4R0.1  C[C@@H](CN)O FAL1033 [0,1,0,0,0,0|3,0,0]=4
9  B4R0.1  C[C@H](CO)N FAL1004 [0,1,0,0,0,0|3,0,0]=4
10  B4R0.2  CCOCC SOL-005 [0,1,0,0,0,0|1,1,0]=3
11  B4R0.2  COCCBr S-30131 [0,1,0,0,0,0|1,1,0]=3
12  B4R0.2  COCCBr S-30901 [0,1,0,0,0,0|1,1,0]=3
13  B4R0.2  COCCN HL12132 [0,1,0,0,0,0|1,1,0]=3
14  B4R0.2  COCCN HL12902 [0,1,0,0,0,0|1,1,0]=3
15  B4R0.2  COCCO S-30130 [0,1,0,0,0,0|1,1,0]=3
16  B4R0.2  COCCO S-30900 [0,1,0,0,0,0|1,1,0]=3
17  B4R0.2  COCCS HL12134 [0,1,0,0,0,0|1,1,0]=3
18  B4R0.2  COCCS HL12904 [0,1,0,0,0,0|1,1,0]=3
19  B1R0.1  CO SOL-008 [2,0,0,0,0,0|0,1,0]=3
20  B5R0.3  CNC(=O)CN HAA6580 [0,2,0,0,0,0|2,0,0]=4
21  B5R0.3  COC(=O)CN HAA5530 [0,2,0,0,0,0|1,1,0]=4
22  B5R0.2  C(CCN)CN HNN1070 [0,2,0,0,0,0|2,0,0]=4
23  B5R0.2  C(CCN)CN HNN1080 [0,2,0,0,0,0|2,0,0]=4