0  B5R0.1  C(C#N)C(=O)O CM10060 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  CC#CC(=O)O CM10024 [0,0,0,0,0,0|1,0,2]=3
2  B5R0.1  CC(CCO)N CM14429 [0,0,0,0,0,0|2,0,1]=3
3  B4R0.1  CC=C(C)Br CM14455 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  C[C@@H](CN)N CM14368 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  C[C@H](CN)N CM14342 [1,0,0,0,0,0|2,0,1]=4
6  B4R0.2  COCC#N CM13130 [1,0,0,0,0,0|1,0,2]=4
7  B6R0.3  CCC(C(=O)N)N CM11025 [0,1,0,0,0,0|0,0,0]=1
8  B6R0.4  CC(=O)C=COC CM11079 [0,1,0,0,0,0|1,0,2]=4
9  B6R1.2  c1co[nH]c1=O CM10160 [0,0,0,1,0,0|1,0,2]=4
10  B6R1.11  C1CC1C(=O)Cl CM13883 [0,0,0,1,0,0|1,0,0]=2
11  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,2]=4
12  B3R0.2  CC(=S)O CM13905 [2,0,0,0,0,0|1,0,1]=4
13  B3R0.2  CS(=O)[O-] CM13899 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.5  CC(C(=O)O)F CM13749 [1,1,0,0,0,0|1,0,0]=3
15  B5R0.2  C(CC#N)CBr CM12994 [1,1,0,0,0,0|0,0,2]=4
16  B7R0.13  C[C@@](CS)(C(=O)O)N CM11024 [0,2,0,0,0,0|2,0,0]=4
17  B7R0.6  C(C[N+](=O)[O-])C(=O)O CM10288 [0,2,0,0,0,0|2,0,0]=4
18  B7R0.6  CC(C)CO[N+](=O)[O-] CM13895 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.8  C(CN)CP(=O)(O)O CM10052 [0,2,0,0,0,0|2,0,0]=4
20  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|2,0,0]=4
21  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,1,0,0|1,0,0]=3
22  B5R1.1  C1C=CCN1 CM14480 [1,0,0,1,0,0|2,0,0]=4
23  B7R1.2  C1C[C@H](C[C@@H]1N)O CM10407 [0,1,0,1,0,0|1,0,1]=4
24  B7R1.3  C1COC(=O)CN1 CM10412 [0,1,0,1,0,0|1,0,0]=3
25  B7R1.3  C1COCCC1=O CM14255 [0,1,0,1,0,0|1,0,0]=3
26  B7R1.22  C1CC1C(=O)CBr CM11136 [0,1,0,1,0,0|1,0,0]=3
27  B7R1.20  C1CC1CC(=O)O CM13686 [0,1,0,1,0,0|1,0,0]=3
28  B7R1.18  C1C(CN1)C(=O)N CM14241 [0,1,0,1,0,0|0,0,0]=2
29  B7R1.18  C1C(CN1)C(=O)N CM14242 [0,1,0,1,0,0|0,0,0]=2
30  B7R1.18  C1C(CN1)C(=O)O CM14218 [0,1,0,1,0,0|1,0,0]=3
31  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,1,0,1,0,0|1,0,0]=3