0  B9R1.12  c1cnn(c1)CCCCl WX630289 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.8  CNCc1[nH]ccn1 WX609046 [1,0,0,0,0,0|3,0,0]=4
2  B8R1.8  CNCc1cncs1 WX609042 [1,0,0,0,0,0|2,1,0]=4
3  B8R1.8  c1cc(oc1)CCO WX640320 [1,0,0,0,0,0|1,0,0]=2
4  B8R1.8  c1cc(sc1)CCN WX600201 [1,0,0,0,0,0|1,1,0]=3
5  B8R1.8  c1cnn(c1)CCBr WX630022 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.11  c1cc(oc1)C(=O)CC#N WXC01120 [0,1,0,0,0,0|1,0,2]=4
7  B10R1.16  Cc1ccc(s1)CCCN WX607136 [0,1,0,0,0,0|1,1,0]=3
8  B10R1.16  Cc1ccc(s1)CCCN WXC02874 [0,1,0,0,0,0|1,1,0]=3
9  B10R1.21  CNCCCn1ccnc1 WX600196 [0,1,0,0,0,0|3,0,0]=4
10  B10R1.21  c1cc(sc1)CNCCO WXC04465 [0,1,0,0,0,0|1,1,0]=3
11  B10R1.66  c1cc([nH]c1)CCC(=O)O WX610154 [0,1,0,0,0,0|2,0,1]=4
12  B10R2.7  c1[nH]c2c(n1)CNCC2 WX606075 [0,0,0,1,0,0|3,0,0]=4
13  B10R2.7  c1[nH]c2c(n1)CNCC2 WX606111 [0,0,0,1,0,0|3,0,0]=4
14  B10R2.7  c1c2c([nH]n1)CCNC2 WX604712 [0,0,0,1,0,0|3,0,0]=4
15  B10R2.7  c1nnc2n1CCCC2 WX690036 [0,0,0,1,0,0|3,0,0]=4
16  B10R1.17  C1C=CCC(=C1)CCCO WX640164 [0,0,0,0,0,1|2,0,0]=3
17  B7R1.1  CNc1ncco1 WX606024 [2,0,0,0,0,0|2,0,0]=4
18  B7R1.1  c1c(ocn1)CO WX640330 [2,0,0,0,0,0|2,0,0]=4
19  B7R1.1  c1cc(sc1)CO WX640288 [2,0,0,0,0,0|1,1,0]=4
20  B7R1.1  c1cnoc1CBr WX630186 [2,0,0,0,0,0|2,0,0]=4
21  B7R1.1  c1cnoc1CN WX603009 [2,0,0,0,0,0|2,0,0]=4
22  B9R1.7  CCCc1cc(on1)N WX609183 [1,1,0,0,0,0|2,0,0]=4
23  B9R1.11  CCC(=O)c1ccc[nH]1 WX626090 [1,1,0,0,0,0|1,0,1]=4
24  B9R1.11  c1cc(oc1)C(CN)O WX600098 [1,1,0,0,0,0|1,0,0]=3
25  B9R1.13  c1cc(oc1)CC(=O)O WX610351 [1,1,0,0,0,0|1,0,1]=4
26  B11R1.1  CCCOc1ccc(cc1)N WX602189 [0,1,0,0,0,1|2,0,0]=4
27  B11R1.1  Cc1ccc(cn1)CCCN WX607125 [0,1,0,0,0,1|2,0,0]=4
28  B11R1.1  c1cc(ccc1CCCO)Cl WX640063 [0,1,0,0,0,1|2,0,0]=4
29  B11R1.17  Cc1cccnc1CCCN WX607127 [0,1,0,0,0,1|2,0,0]=4
30  B11R1.24  Cc1ccnc(c1)CCCN WX607132 [0,1,0,0,0,1|2,0,0]=4
31  B11R1.24  c1cc(cc(c1)F)CCCBr WX630249 [0,1,0,0,0,1|2,0,0]=4
32  B11R1.28  c1ccc(cc1)COCCN WXC01524 [0,1,0,0,0,1|2,0,0]=4
33  B11R1.15  CCCC(C)c1cc(on1)N WX609185 [0,2,0,0,0,0|2,0,0]=4
34  B9R2.2  c1cnc([nH]1)C2CC2 WX690116 [1,0,0,1,0,0|2,0,0]=4
35  B11R2.1  c1ccc2c(c1)CCC2O WX649087 [0,0,0,1,0,1|2,0,0]=4
36  B11R2.20  c1cc2c(nc1)NCCC2 WX606071 [0,0,0,1,0,1|2,0,0]=4
37  B11R2.106  c1c[nH]c2c1C(=O)CCC2 WX626042 [0,1,0,1,0,0|1,0,1]=4
38  B11R2.106  c1coc2c1CCCC2=O WXC02601 [0,1,0,1,0,0|0,0,1]=3
39  B11R2.10  C1CCc2c(nc(s2)S)C1 WX687607 [0,1,0,1,0,0|1,1,0]=4
40  B11R2.352  c1c(noc1N)C2CCC2 WX609180 [0,1,0,1,0,0|2,0,0]=4
41  B11R2.18  c1[nH]c2c(n1)CCNCC2 WX604674 [0,1,0,1,0,0|2,0,0]=4
42  B11R2.191  c1cn2c(n1)CCC2CO WX640149 [0,1,0,1,0,0|2,0,0]=4