0  B9R1.69  CC1=CC=C(C)C(N)=C1 DB02163 [0,0,0,0,0,0|2,0,0]=2
1  B9R1.69  CC1=CC=C(N)C=C1C DB03018 [0,0,0,0,0,0|3,0,0]=3
2  B9R1.69  CC1=CC=C(O)C(N)=C1 DB04533 [0,0,0,0,0,0|2,0,0]=2
3  B9R1.69  CC1=CC=C(O)C(O)=C1 DB04120 [0,0,0,0,0,0|3,0,0]=3
4  B9R1.69  CC1=CC=C(O)C=C1C DB04052 [0,0,0,0,0,0|2,0,0]=2
5  B9R1.69  CC1=CN=C(C)N=C1N DB02372 [0,0,0,0,0,0|4,0,0]=4
6  B9R1.69  [C@@H]1(O)NC(O)=NC=C1F DB04135 [0,0,0,0,0,0|3,0,1]=4
7  B8R1.3  CC1=CC=C(O)C=C1 DB01688 [1,0,0,0,0,0|1,0,0]=2
8  B8R1.3  NC1=CC=C(N)C=C1 DB14141 [1,0,0,0,0,0|2,0,0]=3
9  B8R1.3  NC1=CC=C(O)C=C1 DB14144 [1,0,0,0,0,0|1,0,0]=2
10  B8R1.3  OC1=CC=C(I)C=C1 DB03002 [1,0,0,0,0,0|0,1,0]=2
11  B8R1.4  CC1=CC=CC(O)=C1 DB01776 [1,0,0,0,0,0|1,0,0]=2
12  B8R1.4  NC1=CN=CC(Cl)=N1 DB02297 [1,0,0,0,0,0|3,0,0]=4
13  B8R1.4  OC1=CC=CC(Cl)=C1 DB01957 [1,0,0,0,0,0|1,0,0]=2
14  B8R1.5  ClC1=C(Cl)C=CC=C1 DB13963 [1,0,0,0,0,0|1,1,0]=3
15  B8R1.5  NC1=CC=CC=C1F DB02403 [1,0,0,0,0,0|0,0,0]=1
16  B8R1.5  NC1=CC=CC=C1O DB01726 [1,0,0,0,0,0|1,0,0]=2
17  B8R1.5  OC1=CC=CC=C1Br DB04586 [1,0,0,0,0,0|1,1,0]=3
18  B8R1.5  OC1=CC=CC=C1Cl DB03110 [1,0,0,0,0,0|1,1,0]=3
19  B8R1.5  OC1=CC=CC=C1O DB02232 [1,0,0,0,0,0|2,0,0]=3
20  B10R1.22  OC1=C(Br)C=C(Br)C=C1Br DB02417 [0,1,0,0,0,0|3,0,0]=4
21  B10R1.25  OCC1=CC=C(F)C=C1F DB04448 [0,1,0,0,0,0|3,0,0]=4
22  B10R1.118  CC1=CC(N)=C(N)C=C1C DB03180 [0,1,0,0,0,0|2,0,0]=3
23  B10R1.176  O=C1C=C(CO)OC=C1O DB01759 [0,1,0,0,0,0|3,0,0]=4
24  B7R1.3  CC1=CC=CN=C1 DB01996 [2,0,0,0,0,0|2,0,0]=4
25  B7R1.3  IC1=CC=CC=C1 DB02252 [2,0,0,0,0,0|0,1,0]=3
26  B7R1.3  NC1=CC=CC=C1 DB06728 [2,0,0,0,0,0|0,0,0]=2
27  B7R1.3  OC1=CC=CC=C1 DB03255 [2,0,0,0,0,0|0,0,0]=2
28  B7R1.3  SC1=CC=CC=N1 DB03329 [2,0,0,0,0,0|1,1,0]=4
29  B9R1.1  O=CC1=CC=C(O)C=C1 DB03560 [1,1,0,0,0,0|1,0,0]=3
30  B9R1.1  OCC1=CC=C(Br)C=C1 DB02822 [1,1,0,0,0,0|0,1,0]=3
31  B9R1.1  [NH3+]CC1=CC=C(F)C=C1 DB03243 [1,1,0,0,0,0|1,0,0]=3
32  B9R1.2  OCC1=CC=CC(I)=C1 DB03339 [1,1,0,0,0,0|1,0,0]=3
33  B9R1.3  CC1=C(N)C=CC=C1F DB01986 [1,1,0,0,0,0|1,0,0]=3
34  B9R1.3  CC1=CC=CC(O)=C1O DB03454 [1,1,0,0,0,0|1,0,0]=3
35  B9R1.34  ClC1=CC(Cl)=CC(Cl)=C1 DB03836 [1,1,0,0,0,0|2,0,0]=4
36  B9R1.34  NC1=CC(F)=CC(F)=C1 DB03238 [1,1,0,0,0,0|1,0,0]=3
37  B9R1.15  NC1=CC=CC=C1CO DB03058 [1,1,0,0,0,0|1,0,0]=3
38  B9R1.15  SCC1=CC=CC=C1I DB03630 [1,1,0,0,0,0|1,1,0]=4
39  B11R1.166  O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,2,0,0,0,0|2,0,0]=4
40  B11R1.280  COC1=CC(OO)=CC=C1O DB03764 [0,2,0,0,0,0|2,0,0]=4
41  B11R1.21  O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [0,2,0,0,0,0|2,0,0]=4
42  B11R2.36  CC1=CC2=C(C=C1)N=CN2 DB03177 [0,1,0,1,0,0|2,0,0]=4