0 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 216655 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 391882 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.3 COC1=CC=C(B(O)O)C=N1 219839 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.83 COC1=CC=C(OC#N)C=C1 009599 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.83 COCC1=CC=C(C#N)C=C1 075988 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.36 COC1=CC=C(C(=O)C(=O)O)C=C1 393052 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.452 COC1=CC=C(\C(Cl)=C\C#N)C=C1 019565 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 231420 [0,0,0,0,0,1|2,0,0]=3 9 B12R1.6 CCC1=CC=C(S(C)(=O)=O)C=C1 019373 [1,1,0,0,0,0|2,0,0]=4 10 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 014688 [1,1,0,0,0,0|2,0,0]=4 11 B12R1.367 CNC(=O)C1=CC(F)=C(F)C=C1 102183 [1,1,0,0,0,0|2,0,0]=4 12 B12R1.367 COC(=O)C1=CC=C(F)C(C)=C1 078733 [1,1,0,0,0,0|1,0,0]=3 13 B12R1.1703 CNC(=O)C1=C(Br)C=C(Cl)C=C1 103535 [1,1,0,0,0,0|2,0,0]=4 14 B12R1.1703 CNC(=O)C1=C(F)C=C(C)C=C1 104543 [1,1,0,0,0,0|1,0,0]=3 15 B12R1.1703 CNC(=O)C1=C(F)C=C(F)C=C1 102155 [1,1,0,0,0,0|2,0,0]=4 16 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Br 218279 [1,1,0,0,0,0|1,0,0]=3 17 B12R1.4 COC1=CC=C(NC(C)C)C=C1 020629 [1,1,0,0,0,0|2,0,0]=4 18 B12R1.71 CCCSC1=CC=C(OC)C=C1 095118 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.71 CC\N=C\C1=CC=C(OC)C=C1 080250 [1,1,0,0,0,0|1,0,0]=3 20 B14R1.717 COC(=O)C1=CC=C(OC(C)C)C=C1 329982 [0,2,0,0,0,0|0,0,0]=2 21 B14R1.6720 COC(=O)C1=CC(Cl)=C(N=C=S)C=C1 034829 [0,2,0,0,0,0|1,0,1]=4 22 B14R1.6720 COC(=O)C1=CC(F)=C(N=C=S)C=C1 034837 [0,2,0,0,0,0|1,0,1]=4 23 B14R1.628 CCOC(=O)C1=CC=C(OC)C(I)=C1 038746 [0,2,0,0,0,0|0,0,0]=2 24 B14R2.1812 COC1=CC2=C(C=C1)C(C)=CN2C 180410 [0,1,0,1,0,0|2,0,0]=4 25 B10R1.14 COC(=O)C1=CC=C(Cl)S1 323671 [1,0,0,0,1,0|2,0,0]=4 26 B12R1.49 CNC(=O)CC1=CC=C(F)C=C1 102257 [1,0,0,0,0,1|2,0,0]=4 27 B12R1.435 COC(=O)C1=CC=NC(CN)=C1 234001 [0,0,0,0,1,1|2,0,0]=4