0  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [0,0,0,0,0,0|3,0,1]=4
1  B9R1.6  CC(O)C1=CN=CN=C1 HY-W062571 [0,0,0,0,0,0|3,0,0]=3
2  B9R1.6  N=C(N)C1=CN=CC=C1 HY-W002264 [0,0,0,0,0,0|3,0,1]=4
3  B9R1.6  NC(=O)C1=NC=CN=C1 HY-B0271R [0,0,0,0,0,0|2,0,1]=3
4  B9R1.6  NC(=S)C1=NC=CN=C1 HY-W129661 [0,0,0,0,0,0|2,0,1]=3
5  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [0,0,0,0,0,0|3,0,1]=4
6  B8R1.2  ClCC1=CC=CC=N1 HY-W007502 [1,0,0,0,0,0|2,0,0]=3
7  B8R1.2  NCC1=NC=NC=C1 HY-W017769 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.2  OCC1=NC=CC=N1 HY-78975 [1,0,0,0,0,0|3,0,0]=4
9  B8R1.2  OCC1=NC=NC=C1 HY-W017825 [1,0,0,0,0,0|3,0,0]=4
10  B10R1.13  CC1=CC[C@H](C(C)C)C=C1 HY-N9487 [0,1,0,0,0,0|2,0,1]=4
11  B10R1.15  CNC(=O)C1=NC=CC=C1 HY-Z4481 [0,1,0,0,0,0|2,0,1]=4
12  B10R1.15  COC(=O)C1=CC=CN=C1 HY-B1695 [0,1,0,0,0,0|2,0,1]=4
13  B10R1.15  C[C@H](CN)C1=CC=CC=C1 HY-W655727 [0,1,0,0,0,0|2,0,0]=3
14  B10R1.15  N[C@H](CO)C1=CC=CC=C1 HY-41414 [0,1,0,0,0,0|3,0,0]=4
15  B10R1.28  C[N+](C)(C)C1=CC=CC=C1 HY-W012450 [0,1,0,0,0,0|3,0,0]=4
16  B10R1.113  CC(N)C1=CC(O)=CC=C1 HY-70031 [0,1,0,0,0,0|3,0,0]=4
17  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [0,0,0,0,1,0|1,0,2]=4
18  B9R1.8  NCCC1=CC=CC=N1 HY-107565 [1,1,0,0,0,0|1,0,0]=3
19  B9R1.8  OCCC1=CC=CC=C1 HY-B1290R [1,1,0,0,0,0|2,0,0]=4
20  B11R1.86  CC(C)SC1=CC=CC=C1N HY-I0912 [0,1,0,0,0,1|2,0,0]=4
21  B11R1.565  CC(C)C1=CC=CC(=O)C=C1 HY-103708 [0,1,0,0,0,1|2,0,0]=4