0  B9R1.22  CC1=NC(CN)=C(C)O1 Y4347 [0,0,0,0,0,0|3,0,1]=4
1  B8R1.1  CC1=NC=C(C#N)S1 1820AJ [1,0,0,0,0,0|1,0,1]=3
2  B8R1.1  CC1=NC=C(CN)S1 8527AH [1,0,0,0,0,0|1,0,1]=3
3  B8R1.11  CC1=C(CN)SC=C1 0965AA [1,0,0,0,0,0|2,0,1]=4
4  B8R1.18  CC1=CC(C)=C(C)S1 Z5478 [1,0,0,0,0,0|1,0,1]=3
5  B8R1.18  CC1=NN(C)C(Cl)=C1 5331AE [1,0,0,0,0,0|3,0,0]=4
6  B10R1.59  CC1=CC(C(=O)O)=C(C)N1 W7073 [0,1,0,0,0,0|2,0,1]=4
7  B10R1.59  CC1=NN(C)C(C(N)=S)=C1 Y4183 [0,1,0,0,0,0|3,0,0]=4
8  B10R1.8  C=CC1=CC(Cl)=NC(Cl)=N1 X6817 [0,0,0,0,0,1|3,0,0]=4
9  B7R1.2  CC1=COC(C)=C1 Y6577 [2,0,0,0,0,0|1,1,0]=4
10  B7R1.2  CC1=NC(N)=CO1 7684AA [2,0,0,0,0,0|1,1,0]=4
11  B7R1.2  NC1=CN=C(Br)S1 Y1249 [2,0,0,0,0,0|2,0,0]=4
12  B7R1.4  CC1=C(C)SC=C1 Z5548 [2,0,0,0,0,0|1,0,1]=4
13  B9R1.21  COC1=NC=C(CCl)S1 3722AF [1,1,0,0,0,0|1,0,1]=4
14  B9R1.35  CC1=NC=C(B(O)O)S1 Y1819 [1,1,0,0,0,0|2,0,0]=4
15  B9R1.14  O=CC1=C(C=O)SC=N1 2465AE [1,1,0,0,0,0|1,0,1]=4
16  B11R1.167  CC(=O)C1=NC(C)=CN=C1C 7816AB [0,1,0,0,0,1|1,0,1]=4
17  B9R1.69  CC1=CC=C(C)C(C)=N1 7915AF [0,0,1,1,0,0|1,0,1]=4
18  B9R1.34  CC1=CC(C)=NC(C)=C1 8913AL [0,0,1,1,0,0|1,0,1]=4
19  B9R1.34  CC1=CC(I)=CC(C)=N1 2841AJ [0,0,1,1,0,0|2,0,0]=4
20  B9R2.3  C1=CC2=C(N=CS2)N1 3070AB [1,0,0,1,0,0|1,0,0]=3
21  B9R2.3  C1=NC2=C(CNC2)S1 3032AJ [1,0,0,1,0,0|1,0,1]=4
22  B9R2.3  C1=NC2=C(CNC2)S1 3033AJ [1,0,0,1,0,0|1,0,1]=4
23  B11R2.10  CC1=CC2=C(C=NC=C2)S1 Y6380 [0,1,0,1,0,0|1,0,1]=4
24  B11R2.10  CC1=NC2=C(C=NC=C2)N1 1790AJ [0,1,0,1,0,0|1,0,1]=4
25  B11R2.10  CC1=NC2=CC=CC=C2[Se]1 E607 [0,1,0,1,0,0|0,1,1]=4
26  B11R2.66  O=C1NCC2=C1SC(Br)=N2 X9477 [0,1,0,1,0,0|2,0,0]=4
27  B9R1.1  C=CC1=NC=C(C)N=C1 6751AA [1,0,0,0,0,1|1,0,0]=3