0  B16R2.42567  CN(C)CC1=CNC2=CC=C(C#N)C=C12 3H37-1-9S [0,0,0,0,0,0|2,0,0]=2
1  B16R2.42567  COC1=CC=C2NC=C(CC(C)N)C2=C1 4H56-1-JY [0,0,0,0,0,0|2,0,0]=2
2  B16R2.42567  COC1=CC=C2NC=C(CN(C)C)C2=C1 4H32-1-08 [0,0,0,0,0,0|0,0,0]=0
3  B15R2.9410  CC1=CC=C2NC=C(CC(=O)O)C2=C1 4H21-1-JW [1,0,0,0,0,0|3,0,0]=4
4  B15R2.9410  CC1=CC=C2NC=C(CN(C)C)C2=C1 3H32-1-JU [1,0,0,0,0,0|0,0,0]=1
5  B15R2.9410  CC1=CN2C(CN(C)C)=CN=C2C=C1 3H32-1-6W [1,0,0,0,0,0|1,0,1]=3
6  B15R2.9410  CN(C)CC1=CN=C2C=CC(Cl)=CN12 3H32-5-0U [1,0,0,0,0,0|2,0,1]=4
7  B15R2.9410  CN(C)CC1=CN=C2C=CC(Cl)=CN12 3H32-5-6G [1,0,0,0,0,0|2,0,1]=4
8  B15R2.54412  COC1=CC=C2NC=C(CCO)C2=C1 4H56-1-ZJ [1,0,0,0,0,0|2,0,0]=3
9  B15R2.3137  COC1=CC=C2NC=C(C(=O)O)C2=C1 4H21-1-8T [0,0,0,0,1,0|3,0,0]=4
10  B14R2.2  CN(C)CC1=CNC2=CC=CC=C12 3H32-1-5K [2,0,0,0,0,0|0,0,0]=2
11  B14R2.2  CN(C)CC1=CNC2=NC=CC=C12 3H32-1-GA [2,0,0,0,0,0|1,0,0]=3
12  B14R2.2497  COC1=CC=C2NC=C(CO)C2=C1 4H56-1-401 [2,0,0,0,0,0|1,0,0]=3
13  B16R2.176359  CC(CN)CC1=CNC2=CC=C(F)C=C12 3H30-3-0M [1,1,0,0,0,0|2,0,0]=4
14  B16R2.176359  C[C@H](CN)CC1=CNC2=CC=C(F)C=C12 3H30-3-S4 [1,1,0,0,0,0|2,0,0]=4
15  B14R1.80  COC1=CC(C(CN)N(C)C)=CC=C1 4632-1-17 [0,0,1,0,1,0|0,0,2]=4
16  B16R2.36851  CN(C)CC1=CNC2=CC=CC(C#N)=C12 3H37-1-9R [0,0,0,0,1,1|2,0,0]=4
17  B16R2.2482  CN(C)CC1=CNC2=CC(C#N)=CC=C12 3H37-1-9V [0,0,0,0,1,1|2,0,0]=4