0  B17R2.1933  CC1=C(C=C(C(=O)N1)C#N)C2=CC=CC=C2 Molport-002-868-187 [0,0,0,0,0,0|1,0,0]=1
1  B17R2.1933  N#CC1=CN(C(=O)NC1=O)C2=CC=CC=C2 Molport-002-344-738 [0,0,0,0,0,0|3,0,0]=3
2  B17R2.1933  N#CC1=CN(C(=O)NC1=O)C2=CN=CC=C2 Molport-002-853-316 [0,0,0,0,0,0|4,0,0]=4
3  B17R2.1933  N#CC1=NN(C(=O)NC1=O)C2=CC=CC=C2 Molport-002-908-477 [0,0,0,0,0,0|4,0,0]=4
4  B16R2.309  CC1=C(C=C(C(=O)N1)N)C2=CC=CC=C2 Molport-022-380-537 [1,0,0,0,0,0|1,0,1]=3
5  B16R2.2321  N#CC1=C(N=CC(=C1)C2=CC=CC=C2)Cl Molport-001-791-056 [1,0,0,0,0,0|2,0,1]=4
6  B16R2.2321  N#CC1=CC(=CNC1=O)C2=CC=CC=C2 Molport-002-868-234 [1,0,0,0,0,0|1,0,0]=2
7  B18R2.207  CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C#N Molport-002-908-179 [0,1,0,0,0,0|3,0,0]=4
8  B18R2.1627  N#CC1=CN(C(=O)NC1=O)C2=CC=C(C=C2)Cl Molport-002-344-737 [0,1,0,0,0,0|3,0,0]=4
9  B18R2.6531  CC1=C(C=C(C(=O)N1)C(=O)N)C2=CC=CC=C2 Molport-038-955-723 [0,1,0,0,0,0|1,0,2]=4
10  B18R2.119552  CC1=C(C=CC=C1)N2C=C(C(=O)NC2=O)C#N Molport-002-909-084 [0,1,0,0,0,0|3,0,0]=4
11  B18R2.119552  N#CC1=CN(C(=O)NC1=O)C2=C(C=CC=C2)Cl Molport-000-144-759 [0,1,0,0,0,0|3,0,0]=4
12  B16R1.740  CCOC(=O)/C(=C/NC1=CC=NC=C1)/C#N Molport-002-890-300 [0,0,1,0,0,0|2,0,1]=4
13  B18R2.1623  N#CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2 Molport-002-344-736 [0,0,0,0,0,1|3,0,0]=4
14  B18R2.1623  N#CC1=CN(C(=O)NC1=O)CC2=CC=NC=C2 Molport-001-844-930 [0,0,0,0,0,1|2,0,0]=3
15  B15R2.389  O=C1C=CN(C(=O)N1)C2=CC=NC=C2 Molport-046-771-726 [2,0,0,0,0,0|2,0,0]=4
16  B17R2.18  N#CC1=CC(=CNC1=O)C2=CC=C(C=C2)Cl Molport-001-821-232 [1,1,0,0,0,0|1,0,0]=3
17  B17R2.206  O=C(O)C1=CC(=CNC1=O)C2=CC=NC=C2 Molport-022-386-182 [1,1,0,0,0,0|1,0,1]=4
18  B17R2.2491  N#CC1=CC(=CNC1=O)C2=CC(=CC=C2)Cl Molport-002-871-355 [1,1,0,0,0,0|1,0,0]=3
19  B17R2.1934  CC1=NC(=CS1)C2=C(NC(=O)C(=C2)C#N)C Molport-002-892-912 [0,1,0,0,1,0|2,0,0]=4
20  B19R2.42965  CC1=C(C(=C(C(=O)N1)C#N)C)CC2=CC=CC=C2 Molport-006-249-812 [0,1,0,0,0,1|1,0,0]=3
21  B17R2.289  N#C/C(=C/C1=CNC2=CC=CC=C12)/C(=O)N Molport-002-793-781 [0,0,1,1,0,0|2,0,0]=4
22  B17R2.289  N#C/C(=C\C1=CNC2=CC=CC=C12)/C(=O)N Molport-001-020-100 [0,0,1,1,0,0|2,0,0]=4
23  B15R1.640  CCOC(=O)/C(=C\C1=CC=NC=C1)/C#N Molport-000-933-496 [0,0,1,0,1,0|1,0,1]=4
24  B15R2.2349  N#CC1=C(NC=C1C2=CC=CC=C2)N Molport-001-821-240 [1,0,0,0,1,0|2,0,0]=4
25  B17R2.17866  CC1=CC(=C(C(=S)N1)C#N)C2=CC=CC=C2 Molport-001-960-298 [0,0,0,0,1,1|1,1,0]=4
26  B17R2.17866  N#CC1=C(N=C(NC1=O)S)C2=CC=CC=C2 Molport-000-679-301 [0,0,0,0,1,1|2,0,0]=4
27  B17R2.17866  N#CC1=C(NC(=S)NC1=O)C2=CC=CC=C2 Molport-001-918-913 [0,0,0,0,1,1|2,0,0]=4
28  B17R2.17866  N#CC1=C(NC(=S)NC1=O)C2=CC=NC=C2 Molport-002-919-154 [0,0,0,0,1,1|1,0,0]=3