0  B15R1.2995  COC(=O)CC1=CC=C(C(C)(C)C)C=C1 CS14183 [0,0,0,0,0,0|0,0,0]=0
1  B14R1.806  CC(=O)CC1=CC=C(C(F)(F)F)C=C1 MC425490 [1,0,0,0,0,0|3,0,0]=4
2  B14R1.806  CC(C)(C)C1=CC=C(CC(=O)O)C=C1 MC40190 [1,0,0,0,0,0|0,0,0]=1
3  B14R1.806  O=C(O)CC1=CC=C(C(F)(F)F)C=C1 CS10972 [1,0,0,0,0,0|3,0,0]=4
4  B14R1.2879  COC(=O)CC1=CC=C(B(O)O)C=C1 MC441535 [1,0,0,0,0,0|3,0,0]=4
5  B16R1.1531  CCOC(=O)CC1=CC=C(C(F)(F)F)C=C1 CS11402 [0,1,0,0,0,0|3,0,0]=4
6  B14R1.719  CC(C)(C)C1=CC=C(C(=O)NO)C=C1 MC111366 [0,0,0,0,1,0|2,0,0]=3
7  B14R1.719  COC(=O)C1=CC=C(C(Cl)(Cl)Cl)C=C1 MC40125 [0,0,0,0,1,0|3,0,0]=4
8  B14R1.719  COC(=O)C1=CC=C(C(F)(F)F)C=C1 CS14098 [0,0,0,0,1,0|3,0,0]=4
9  B14R1.719  COC(=O)N1C=CC(C(C)(C)C)=CC1 MC41627 [0,0,0,0,1,0|1,0,1]=3
10  B13R1.140  CC(C)(C)C1=CC=C(CC#N)C=C1 CS11700 [2,0,0,0,0,0|1,0,1]=4
11  B13R1.140  CC(C)(C)C1=CC=C(CCO)C=C1 MC40746 [2,0,0,0,0,0|0,0,1]=3
12  B13R1.5  COC(=O)CC1=CC=C(C#N)C=C1 CS18347 [2,0,0,0,0,0|1,0,1]=4
13  B13R1.5  COC(=O)CC1=CC=C(C=O)C=C1 MC427596 [2,0,0,0,0,0|1,0,1]=4
14  B13R1.5  COC(=O)CC1=CC=C(CBr)C=C1 MC40073 [2,0,0,0,0,0|1,0,0]=3
15  B13R1.5  COC(=O)CC1=CC=C(CN)C=C1 MC40062 [2,0,0,0,0,0|1,0,0]=3
16  B15R1.2994  COC(=O)CC1=CC=C(C(=O)OC)C=C1 CS22935 [1,1,0,0,0,0|1,0,1]=4
17  B15R2.19227  COC(=O)C1=CC=C(C2(N)CC2)C=C1 MC106819 [0,0,0,1,1,0|1,0,0]=3
18  B13R1.338  CC(=O)C1=CC=C(C(C)(C)C)N=C1 MC432307 [1,0,0,0,1,0|1,0,0]=3
19  B13R1.338  CC(C)(C)C1=CC=C(B(O)O)C=C1 CS10031 [1,0,0,0,1,0|1,0,1]=4
20  B13R1.338  CC(C)(C)C1=CC=C(C(=N)N)C=C1 MC111862 [1,0,0,0,1,0|2,0,0]=4
21  B13R1.338  CC(C)(C)C1=CC=C(C(=O)O)C=C1 CS16421 [1,0,0,0,1,0|0,0,0]=2
22  B13R1.338  CC(C)(C)C1=CC=C(C(N)=S)C=C1 CS10081 [1,0,0,0,1,0|1,1,0]=4
23  B13R1.338  CC(C)(C)C1=CN=C(C(=O)O)C=N1 MC121201 [1,0,0,0,1,0|2,0,0]=4
24  B13R1.338  CC(F)(F)C1=CC=C(C(=O)O)C=C1 MC102233 [1,0,0,0,1,0|2,0,0]=4
25  B13R1.537  COC(=O)C1=CC=C(C(C)=O)C=C1 CS11067 [1,0,0,0,1,0|1,0,1]=4
26  B13R1.537  COC(=O)C1=CC=C(C(C)N)C=C1 CS16094 [1,0,0,0,1,0|1,0,0]=3
27  B13R1.535  COC(=O)C1=NOC(C(C)(C)C)=C1 CS12126 [0,0,0,0,2,0|2,0,0]=4