0 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 523 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 15716 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12193 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12194 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 19127 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.452 CCOC(=O)C1=NC=C(OC)C=C1 13744 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.15 CCOC(=O)C1=CC(C)=NN1 16715 [0,0,0,0,1,0|3,0,0]=4 10 B11R1.15 CCOC(=O)C1=CSC(C)=N1 460 [0,0,0,0,1,0|3,0,0]=4 11 B11R1.15 CCOC(=O)C1=NNC(C)=C1 19853 [0,0,0,0,1,0|3,0,0]=4 12 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [2,0,0,0,0,0|0,0,2]=4 16 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [2,0,0,0,0,0|1,0,1]=4 18 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.1 COCOCC1=CC=C(F)C=C1 102897 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.30 CCC\N=C(/C)C1=CC=CC=C1 19936 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.30 CN\C=C/C(=O)C1=CC=CC=C1 13285 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.30 NCCNC(=O)C1=CC=CC=N1 21712 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.30 NCCNC(=O)C1=NC=CC=C1 21700 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 15760 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 11835 [1,1,0,0,0,0|0,0,1]=3 34 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 15303 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 100166 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 533 [0,1,0,0,1,0|2,0,0]=4 37 B14R1.6823 CCOC(=O)CC1=CC=C(N)C=C1N 11561 [0,1,0,0,0,1|0,0,0]=2 38 B14R1.6823 CCOC(=O)NC1=C(C)C=C(C)C=C1 15583 [0,1,0,0,0,1|1,0,0]=3 39 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 530 [0,2,0,0,0,0|1,0,0]=3 40 B14R1.18811 CCOC(=O)C1=C(C)C=C(O)N=C1O 15745 [0,2,0,0,0,0|2,0,0]=4 41 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 19934 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [1,0,0,1,0,0|1,0,1]=4 43 B12R2.2028 CC1C=C(Cl)C2=CC=CC=C21 16666 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 16621 [1,0,0,1,0,0|1,0,0]=3 45 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 13758 [1,0,0,1,0,0|1,0,1]=4 46 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 16304 [1,0,0,1,0,0|1,0,0]=3 47 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 22222 [1,0,0,1,0,0|1,0,0]=3 48 B14R2.1801 COC1=CC=C2C(=O)CCCC2=C1 18374 [0,1,0,1,0,0|2,0,0]=4 49 B14R2.1812 COC1=CC=C2C(=O)OC(O)C2=C1 15993 [0,1,0,1,0,0|2,0,0]=4 50 B14R2.25731 O=C1OC(O)C2=CC(Cl)=C(Cl)C=C12 15997 [0,1,0,1,0,0|2,0,0]=4 51 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [1,0,0,0,0,1|2,0,0]=4