0  B9R1.8  c1ccnc(c1)CCO FS011369 [0,0,0,0,0,0|1,1,0]=2
1  B9R1.8  c1cnc(nc1)CCO FS010751 [0,0,0,0,0,0|2,1,0]=3
2  B9R1.8  c1cncnc1CCO FS010754 [0,0,0,0,0,0|2,1,0]=3
3  B9R1.8  c1cnncc1CCN FS009167 [0,0,0,0,0,0|3,0,0]=3
4  B8R1.2  c1cc(cnc1)CO FS011361 [1,0,0,0,0,0|1,1,0]=3
5  B8R1.2  c1cnncc1CN FS009169 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.1  c1c(cnc(n1)CCO)Br FS010752 [0,1,0,0,0,0|2,1,0]=4
7  B10R1.1  c1cc(ccc1CCN)Br FS000610 [0,1,0,0,0,0|3,0,0]=4
8  B10R1.1  c1cc(ccc1CCO)Br FS000612 [0,1,0,0,0,0|2,1,0]=4
9  B10R1.1  c1cc(ncc1CC#N)Cl FS011412 [0,1,0,0,0,0|2,0,1]=4
10  B10R1.1  c1cc(ncc1C[Mg]Cl)Cl FS410294 [0,1,0,0,0,0|3,0,0]=4
11  B10R1.1  c1cc(ncc1C[Mg]Cl)Cl FS420289 [0,1,0,0,0,0|3,0,0]=4
12  B10R1.1  c1cc(ncc1C[Zn]Cl)Cl FS430371 [0,1,0,0,0,0|3,0,0]=4
13  B10R1.4  c1cc(c(nc1)CCO)Br FS010556 [0,1,0,0,0,0|1,1,0]=3
14  B10R1.4  c1ccc(c(c1)CCO)Br FS000614 [0,1,0,0,0,0|2,1,0]=4
15  B10R1.10  c1c(cncc1Br)CC#N FS000726 [0,1,0,0,0,0|2,0,1]=4
16  B10R1.10  c1cc(nc(c1)Br)CC#N FS011421 [0,1,0,0,0,0|2,0,1]=4
17  B10R1.10  c1cc(nc(c1)Cl)CC#N FS011420 [0,1,0,0,0,0|2,0,1]=4
18  B10R1.15  CC(CO)c1ccccn1 FS010750 [0,1,0,0,0,0|1,1,0]=3
19  B10R1.17  CNCCc1ccccn1 FS000818 [0,1,0,0,0,0|2,0,0]=3
20  B10R1.17  c1ccc(cc1)CCCBr FS410094 [0,1,0,0,0,0|3,0,0]=4
21  B10R1.17  c1ccc(cc1)CCON FS001332 [0,1,0,0,0,0|2,1,0]=4
22  B10R1.17  c1ccnc(c1)CCON FS009095 [0,1,0,0,0,0|1,1,0]=3
23  B8R1.8  c1cc(sc1)CCO FS011370 [0,0,0,0,1,0|1,1,0]=3
24  B7R1.3  Cc1ccnnc1 FS009182 [2,0,0,0,0,0|2,0,0]=4
25  B9R1.2  CCc1cc(ccn1)Br FS009511 [1,1,0,0,0,0|1,0,0]=3
26  B9R1.2  CCc1cccc(n1)Br FS009138 [1,1,0,0,0,0|1,0,0]=3
27  B9R1.2  c1c(cncc1Cl)CO FS001092 [1,1,0,0,0,0|1,1,0]=4
28  B9R1.15  COc1cccnc1S FS007350 [1,1,0,0,0,0|2,0,0]=4
29  B9R1.15  c1cncc(c1Cl)CO FS001091 [1,1,0,0,0,0|1,1,0]=4
30  B9R1.13  C[C@@H](Cc1cccs1)O FS024582 [0,1,0,0,1,0|1,1,0]=4
31  B9R1.13  C[C@@H](Cc1ccsc1)O FS024621 [0,1,0,0,1,0|1,1,0]=4
32  B9R1.13  C[C@H](Cc1cccs1)O FS024581 [0,1,0,0,1,0|1,1,0]=4
33  B9R1.13  C[C@H](Cc1ccsc1)O FS024620 [0,1,0,0,1,0|1,1,0]=4
34  B11R1.157  Cc1cc(cnc1)C[C@H](C)O FS024601 [0,2,0,0,0,0|1,1,0]=4
35  B11R1.189  COc1cccc(n1)CCO FS010560 [0,2,0,0,0,0|1,1,0]=4
36  B11R1.28  c1ccnc(c1)CCCC=O FS024781 [0,2,0,0,0,0|1,1,0]=4
37  B11R2.34  c1c(ncc(n1)Br)C2CC2 FS009097 [0,1,0,1,0,0|1,0,0]=3
38  B11R2.35  c1cc(nc(c1)Br)C2CC2 FS009137 [0,1,0,1,0,0|2,0,0]=4
39  B11R2.35  c1cnc(cc1Br)C2CC2 FS009135 [0,1,0,1,0,0|2,0,0]=4
40  B7R1.1  c1cnsc1CO FS007481 [1,0,0,0,1,0|1,1,0]=4
41  B7R1.1  c1cscc1CO FS011375 [1,0,0,0,1,0|1,1,0]=4
42  B7R1.1  c1csnc1CO FS007480 [1,0,0,0,1,0|1,1,0]=4