0  B5R0.1  C(C#N)C(=O)O CM10060 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  CC#CC(=O)O CM10024 [0,0,0,0,0,0|2,0,2]=4
2  B4R0.1  CC=C(C)Br CM14455 [1,0,0,0,0,0|1,0,1]=3
3  B6R0.4  CC(=O)C=COC CM11079 [0,1,0,0,0,0|1,0,1]=3
4  B6R1.2  C1C=CCC1O CM14094 [0,0,0,1,0,0|1,0,2]=4
5  B6R1.2  Cc1cc[nH]n1 CM14373 [0,0,0,1,0,0|3,0,0]=4
6  B6R1.2  c1co[nH]c1=O CM10160 [0,0,0,1,0,0|2,0,1]=4
7  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,0]=2
8  B3R0.2  CC(=S)O CM13905 [2,0,0,0,0,0|0,1,0]=3
9  B3R0.2  CS(=O)[O-] CM13899 [2,0,0,0,0,0|1,0,1]=4
10  B7R0.4  CC(=O)OC=CCBr CM11056 [0,2,0,0,0,0|0,0,0]=2
11  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|1,0,1]=4
12  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,1,0,0|0,0,2]=4
13  B5R1.1  C1C=CCN1 CM14480 [1,0,0,1,0,0|2,0,0]=4
14  B7R1.1  c1cc([nH]c1)C=O CM13861 [0,1,0,1,0,0|1,0,1]=4
15  B7R1.1  c1nnc(o1)CN CM10301 [0,1,0,1,0,0|2,0,0]=4
16  B7R1.2  C1=CC(=O)OC1O CM11011 [0,1,0,1,0,0|0,0,2]=4
17  B7R1.2  Cc1cc(on1)C CM14486 [0,1,0,1,0,0|1,0,1]=4
18  B7R1.2  Cc1ncc(s1)I CM10702 [0,1,0,1,0,0|1,1,0]=4
19  B7R1.3  C1COC(=O)CN1 CM10412 [0,1,0,1,0,0|0,0,2]=4
20  B7R1.4  Cn1ccnc1Br CM10422 [0,1,0,1,0,0|2,0,0]=4
21  B7R1.4  Cn1ccnc1I CM10200 [0,1,0,1,0,0|2,0,0]=4