0  B11R1.29  O[C@H](C1=CC=CS1)CCNC M10701974P [0,0,0,0,0,0|1,1,2]=4
1  B10R1.11  O=C(C1=CC=CO1)OCC M10030401P [1,0,0,0,0,0|1,0,0]=2
2  B10R1.11  O=C(C1=CC=CS1)CCCl M10243198P [1,0,0,0,0,0|1,1,0]=3
3  B10R1.11  O=C(C1=CN=CO1)OCC M10707454P [1,0,0,0,0,0|2,0,0]=3
4  B10R1.11  O=C(C1=NC=CN1)OCC M10220766P [1,0,0,0,0,0|3,0,0]=4
5  B10R1.11  O=C(C1=NC=CO1)OCC M10219050P [1,0,0,0,0,0|2,0,0]=3
6  B10R1.11  O=C(C1=NNC=C1)OCC M10082024P [1,0,0,0,0,0|3,0,0]=4
7  B10R1.21  CCCCCC1=CC=CS1 M10066871P [1,0,0,0,0,0|0,1,1]=3
8  B12R1.54  O=C(C1=CC=CS1)CCN(C)C M10073803P [0,1,0,0,0,0|1,1,0]=3
9  B10R0.19  CCCCC(C(OCC)=O)=O M10080038P [0,0,1,0,0,0|1,0,2]=4
10  B12R2.221  O=C1C2=CC=CN2C(C)CN1 M10120820P [0,0,0,1,0,0|2,0,0]=3
11  B12R1.30  O=C(OCCC)C1=CC=CC=C1 M10042476P [0,0,0,0,0,1|2,0,0]=3
12  B9R0.45  CCCC\C=C\C=C\C=O M10081789P [1,0,1,0,0,0|0,0,1]=3
13  B9R1.11  BrCC(C1=CC=CS1)=O M10115924P [2,0,0,0,0,0|1,1,0]=4
14  B9R1.11  O=C(C1=CC=CO1)SC M10125734P [2,0,0,0,0,0|1,0,0]=3
15  B9R1.11  O=C(C1=CC=CS1)OC M10072317P [2,0,0,0,0,0|1,1,0]=4
16  B9R1.11  O=C(C1=CC=NO1)OC M10134693P [2,0,0,0,0,0|2,0,0]=4
17  B9R1.12  CCCCC1=CC=CS1 M10031024P [2,0,0,0,0,0|0,1,0]=3
18  B9R1.12  CCCCC1C=CC=C1 M10596335P [2,0,0,0,0,0|1,0,1]=4
19  B9R1.12  CSSCC1=CC=CO1 M10295500P [2,0,0,0,0,0|2,0,0]=4
20  B11R1.15  O=C(C1=CC(Br)=CN1)OCC M10877842P [1,1,0,0,0,0|2,0,0]=4
21  B11R1.15  O=C(C1=CC(C)=NO1)OCC M10391905P [1,1,0,0,0,0|2,0,0]=4
22  B11R1.15  O=C(C1=CC=C(C)N1)OCC M10052980P [1,1,0,0,0,0|2,0,0]=4
23  B11R1.15  O=C(C1=CN=C(Cl)O1)OCC M11005514P [1,1,0,0,0,0|2,0,0]=4
24  B11R1.15  O=C(C1=NC=C(C)O1)OCC M10219342P [1,1,0,0,0,0|2,0,0]=4
25  B11R1.199  O=C(C1=C(C)C=CN1)OCC M10052978P [1,1,0,0,0,0|2,0,0]=4
26  B11R1.199  O=C(C1=C(F)C=CN1)OCC M10796765P [1,1,0,0,0,0|2,0,0]=4
27  B11R1.199  O=C(C1=C(N)C=CN1)OCC M10846046P [1,1,0,0,0,0|2,0,0]=4
28  B11R1.4  CCCCCCC1=CC=CS1 M10157353P [1,1,0,0,0,0|0,1,1]=4
29  B13R1.17  CCCCC(C1=CC=C(Cl)C=C1)=O M10187434P [0,1,0,0,0,1|1,0,0]=3
30  B13R1.45  CC(C)CCC(C1=CC=CC=C1)=O M10034528P [0,1,0,0,0,1|1,0,0]=3
31  B13R1.33  O=C(OCC)CC(C1=CC=CS1)=O M10125612P [0,2,0,0,0,0|0,1,1]=4
32  B11R1.17  OC1=CC=CC=C1OCCC M10086738P [0,0,1,1,0,0|2,0,0]=4
33  B11R2.106  O=C1C2=C(NC=C2)CCC1 M10126273P [1,0,0,1,0,0|2,0,0]=4
34  B11R2.106  O=C1CCCC2=C1C=CS2 M10123467P [1,0,0,1,0,0|2,0,0]=4
35  B13R2.371  O=C1CCC(C)C2=C1C=CC=C2 M10162865P [0,0,0,1,0,1|1,0,0]=3
36  B13R2.5252  O=C1CCCCC2=C1C=CC=C2 M10021502P [0,0,0,1,0,1|1,0,0]=3