0  B8R1.4  CC1=CC(Br)=NC=C1 HY-W007579 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.4  ClC1=CN=CC(Cl)=N1 HY-W010260 [0,0,0,0,0,0|3,0,0]=3
2  B8R1.4  FC1=CC=CC(F)=N1 HY-W012911 [0,0,0,0,0,0|2,0,0]=2
3  B8R1.4  NC1=NC(=O)NC=C1 HY-I0626R [0,0,0,0,0,0|3,0,0]=3
4  B8R1.4  O=[13C]1[13CH]=[13CH]N[13C](=O)N1 HY-I0960S1 [0,0,0,0,0,0|3,0,1]=4
5  B7R1.3  ClC1=CC=NC=C1 HY-Y0178 [1,0,0,0,0,0|3,0,0]=4
6  B7R1.3  OC1=CC=NC=C1 HY-W007690 [1,0,0,0,0,0|3,0,0]=4
7  B9R1.2  OCC1=CC=CC(O)=C1 HY-78446 [0,1,0,0,0,0|2,0,0]=3
8  B9R1.34  CC1=CC(O)=CC(=O)O1 HY-Y1634 [0,1,0,0,0,0|2,0,0]=3
9  B9R1.34  CC1=CC(O)=CC(O)=C1 HY-W015715 [0,1,0,0,0,0|2,0,0]=3
10  B9R1.34  NC1=CC(Cl)=NC(Cl)=C1 HY-W008199 [0,1,0,0,0,0|2,0,0]=3
11  B9R1.34  O[13C]1=[13CH][13C](O)=[13CH][13C](O)=[13CH]1 HY-W777964 [0,1,0,0,0,0|3,0,0]=4
12  B9R1.69  CC1=CC(N)=NC=C1Br HY-17562 [0,1,0,0,0,0|3,0,0]=4
13  B9R1.69  CC1=CC(O)=C(O)C=C1 HY-W012814R [0,1,0,0,0,0|2,0,0]=3
14  B9R1.69  CN1C=CC(N)=NC1=O HY-W006395 [0,1,0,0,0,0|3,0,0]=4
15  B9R1.69  NC1=NC(=O)NC=C1F HY-B0139 [0,1,0,0,0,0|3,0,0]=4
16  B6R0.1  C\C=N\N(C)C=O HY-W762013 [1,0,1,0,0,0|2,0,0]=4
17  B8R1.2  ClCC1=CC=CC=N1 HY-W007502 [1,1,0,0,0,0|0,0,0]=2
18  B8R1.2  NCC1=NC=NC=C1 HY-W017769 [1,1,0,0,0,0|1,0,0]=3
19  B8R1.2  OCC1=NC=CC=N1 HY-78975 [1,1,0,0,0,0|1,0,0]=3
20  B8R1.2  OCC1=NC=NC=C1 HY-W017825 [1,1,0,0,0,0|1,0,0]=3
21  B8R1.3  ClC1=NC=C(Br)C=N1 HY-76897 [1,1,0,0,0,0|2,0,0]=4
22  B8R1.3  FC1=CN=C(Br)C=C1 HY-32748 [1,1,0,0,0,0|1,0,0]=3
23  B8R1.3  NC1=NC=C(F)C=C1 HY-Y0107 [1,1,0,0,0,0|1,0,0]=3
24  B8R1.5  OC1=NC=CC=C1Br HY-W003045 [1,1,0,0,0,0|1,0,0]=3
25  B10R1.2  COC1=CC=CC(O)=C1O HY-W116576 [0,2,0,0,0,0|2,0,0]=4
26  B10R1.8  COC1=CC(O)=CC(O)=C1 HY-W015752 [0,2,0,0,0,0|2,0,0]=4
27  B10R1.8  CSC1=NC(Cl)=CC(Cl)=N1 HY-41832 [0,2,0,0,0,0|2,0,0]=4
28  B10R1.30  COC1=C(Cl)C=CC(Br)=C1 HY-W012416 [0,2,0,0,0,0|2,0,0]=4
29  B10R1.30  COC1=C(O)C=CC(O)=C1 HY-W013675 [0,2,0,0,0,0|2,0,0]=4
30  B10R1.30  OCC1=CC(O)=CC=C1O HY-W248907 [0,2,0,0,0,0|2,0,0]=4
31  B10R1.113  CC(N)C1=CC(O)=CC=C1 HY-70031 [0,2,0,0,0,0|2,0,0]=4
32  B10R1.176  CCC1=CC=C(O)C(O)=C1 HY-W265757 [0,2,0,0,0,0|2,0,0]=4
33  B10R1.176  COC1=CC=C(O)C(N)=C1 HY-W001213 [0,2,0,0,0,0|2,0,0]=4
34  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [0,0,1,1,0,0|2,0,0]=4
35  B6R1.2  CC1=CNN=C1 HY-B0876 [1,0,0,0,1,0|2,0,0]=4