0  B8R1.7  c1c(nc[nH]1)C(=O)O CM14067 [1,0,0,0,0,0|2,0,1]=4
1  B8R1.7  c1cn[nH]c1C(=O)O CM11038 [1,0,0,0,0,0|2,0,0]=3
2  B10R1.11  CCOC(=O)c1c[nH]cn1 CM14066 [0,1,0,0,0,0|1,0,1]=3
3  B10R1.11  CCOC(=O)c1ccco1 CM10969 [0,1,0,0,0,0|1,0,0]=2
4  B10R1.14  COC(=O)c1cc(sc1)Br CM10537 [0,1,0,0,0,0|3,0,0]=4
5  B10R1.15  CCC(C)c1ccccc1 CM12120 [0,0,0,0,0,1|2,0,1]=4
6  B10R1.15  COC(=O)c1cccnc1 CM10959 [0,0,0,0,0,1|1,0,1]=3
7  B10R1.15  c1ccc(cc1)C(=O)CF CM11196 [0,0,0,0,0,1|2,0,0]=3
8  B7R1.1  c1c(nc[nH]1)C=O CM14068 [2,0,0,0,0,0|1,0,1]=4
9  B7R1.1  c1cc([nH]c1)C=O CM13861 [2,0,0,0,0,0|0,0,0]=2
10  B11R1.16  CCOC(=O)c1cccnc1 CM10029 [0,1,0,0,0,1|0,0,1]=3
11  B11R1.22  COC(=O)c1ccc(cc1)N CM12345 [0,1,0,0,0,1|2,0,0]=4
12  B11R1.22  COC(=O)c1cnc(cn1)O CM14417 [0,1,0,0,0,1|1,0,1]=4
13  B11R1.22  c1cc(ccc1C(=O)CBr)Br CM11176 [0,1,0,0,0,1|2,0,0]=4
14  B11R1.22  c1cc(ccc1C(=O)CBr)Cl CM11135 [0,1,0,0,0,1|2,0,0]=4
15  B11R1.22  c1cc(ccc1C(=O)CBr)F CM11141 [0,1,0,0,0,1|2,0,0]=4
16  B11R1.22  c1cc(ccc1C(=O)CN)Br CM11121 [0,1,0,0,0,1|2,0,0]=4
17  B11R1.23  CCC(=O)c1cccc(c1)N CM11248 [0,1,0,0,0,1|1,0,0]=3
18  B11R1.23  COC(=O)c1cccc(c1)I CM12817 [0,1,0,0,0,1|2,0,0]=4
19  B11R1.23  COC(=O)c1cccc(c1)N CM12344 [0,1,0,0,0,1|2,0,0]=4
20  B11R1.23  COC(=O)c1cccc(c1)O CM12802 [0,1,0,0,0,1|2,0,0]=4
21  B11R1.23  COC(=O)c1cncc(n1)Br CM10424 [0,1,0,0,0,1|1,0,1]=4
22  B11R1.23  COC(=O)c1cncc(n1)Cl CM10425 [0,1,0,0,0,1|1,0,1]=4
23  B11R1.23  c1cc(cc(c1)O)C(=O)CBr CM11149 [0,1,0,0,0,1|2,0,0]=4
24  B11R1.15  CCOC(=O)c1ccc([nH]1)Br CM10423 [0,2,0,0,0,0|0,0,0]=2
25  B11R1.15  CCOC(=O)c1coc(n1)Cl CM10352 [0,2,0,0,0,0|1,0,1]=4
26  B11R1.15  CCOC(=O)c1coc(n1)N CM10351 [0,2,0,0,0,0|1,0,1]=4
27  B11R1.44  COC(=O)c1ccc(o1)CCl CM13911 [0,2,0,0,0,0|2,0,0]=4
28  B9R1.3  Cc1cccc(c1Br)N CM11315 [0,0,1,1,0,0|1,0,1]=4
29  B9R1.3  Cc1cccc(c1F)N CM11462 [0,0,1,1,0,0|1,0,1]=4
30  B9R1.3  Cc1cccc(c1N)N CM13949 [0,0,1,1,0,0|1,0,1]=4
31  B9R1.3  Cn1cccc(c1=O)Br CM10262 [0,0,1,1,0,0|2,0,0]=4
32  B9R1.15  CCc1c(cccn1)Br CM10670 [0,0,1,1,0,0|2,0,0]=4
33  B9R1.2  CCc1cccc(c1)Br CM12087 [0,0,1,1,0,0|2,0,0]=4
34  B9R1.2  CCc1cccc(c1)N CM11452 [0,0,1,1,0,0|1,0,0]=3
35  B11R2.1  c1ccc2c(c1)CNC2=O CM10840 [0,0,0,1,0,1|2,0,0]=4
36  B9R1.6  c1cncnc1C(=O)O CM10263 [1,0,0,0,0,1|1,0,1]=4