0  B6R1.2  CC1=CNN=C1 HY-B0876 [0,0,0,0,0,0|0,0,0]=0
1  B6R1.2  IC1=CNN=C1 HY-I0312 [0,0,0,0,0,0|1,0,0]=1
2  B6R1.2  S=C1N=CNN1 HY-W012991 [0,0,0,0,0,0|4,0,0]=4
3  B7R1.1  O=CC1=COC=C1 HY-76224 [0,1,0,0,0,0|2,0,1]=4
4  B5R0.1  C\C=C\C(C)=O HY-34748 [0,0,1,0,0,0|3,0,0]=4
5  B5R1.2  C[C@H]1CCN1 HY-35279 [0,0,0,0,1,0|1,0,2]=4
6  B7R1.3  CC1=CCCCC1 HY-W004338 [0,0,0,0,0,1|2,0,1]=4
7  B7R1.3  ClC1=CC=NC=C1 HY-Y0178 [0,0,0,0,0,1|2,0,0]=3
8  B7R1.3  OC1=CC=NC=C1 HY-W007690 [0,0,0,0,0,1|2,0,0]=3
9  B4R0.1  C=CC(N)=O HY-W115727E [1,0,1,0,0,0|2,0,0]=4
10  B4R0.1  CC(=O)CN HY-W004850 [1,0,1,0,0,0|1,0,1]=4
11  B8R1.2  ClCC1=CC=CC=N1 HY-W007502 [0,1,0,0,0,1|2,0,0]=4
12  B8R1.2  NCC1=NC=NC=C1 HY-W017769 [0,1,0,0,0,1|1,0,0]=3
13  B8R1.2  OCC1=NC=NC=C1 HY-W017825 [0,1,0,0,0,1|1,0,0]=3
14  B8R1.3  ClC1=NC=C(Br)C=N1 HY-76897 [0,1,0,0,0,1|1,0,1]=4
15  B8R1.3  FC1=CN=C(Br)C=C1 HY-32748 [0,1,0,0,0,1|2,0,0]=4
16  B8R1.3  NC1=NC=C(F)C=C1 HY-Y0107 [0,1,0,0,0,1|2,0,0]=4
17  B8R1.4  CC1=CC(Br)=NC=C1 HY-W007579 [0,1,0,0,0,1|1,0,0]=3
18  B8R1.4  ClC1=CN=CC(Cl)=N1 HY-W010260 [0,1,0,0,0,1|2,0,0]=4
19  B8R1.4  NC1=NC(=O)NC=C1 HY-I0626R [0,1,0,0,0,1|2,0,0]=4
20  B8R1.4  O=C1C=NNC(=O)N1 HY-W008232 [0,1,0,0,0,1|1,0,0]=3
21  B8R1.4  O=[13C]1[13CH]=[13CH]N[13C](=O)N1 HY-I0960S1 [0,1,0,0,0,1|2,0,0]=4
22  B8R1.5  NC1=C(O)C=NC=C1 HY-W008188 [0,1,0,0,0,1|2,0,0]=4
23  B8R1.5  OC1=NC=CC=C1Br HY-W003045 [0,1,0,0,0,1|2,0,0]=4
24  B8R1.7  O=C(O)C1=CNN=C1 HY-W002065 [0,2,0,0,0,0|0,0,1]=3
25  B8R1.8  NCCC1=NNC=C1 HY-B1557 [0,2,0,0,0,0|2,0,0]=4
26  B8R1.11  N#CC1=CNN=C1N HY-W001964 [0,2,0,0,0,0|0,0,1]=3