0 B11R1.83 CCOC1=CC=C(C=C1)C=O 9437 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.83 C\C=C\C1=CC=C(C=C1)OC 5527 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.3 C1=CC(=CC=C1C=O)C#N 5691 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.3 C1=CC(=CC=C1C=O)C#N 5751 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.3 C1=CC(=CC=C1CN)C#N C0297 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.3 CCC1=CC=C(C=C1)C#C 10015 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.3 COC1=CC=C(C=C1)C#C 9950 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.3 COC1=CC=C(C=C1)C=O 8125 [1,0,0,0,0,0|0,0,0]=1 15 B10R1.3 COC1=CC=C(C=C1)CN 8511 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.3 COC1=NC=C(C=C1)C#N 10024 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.3 COC1=NC=C(C=C1)C=O 5473 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.3 c1cc(ccc1C=O)C#N F0081 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.4 C1=CC(=CC=C1CN)OC(F)F 9646 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O 5133 [0,1,0,0,0,0|0,0,1]=2 21 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O 10413 [0,1,0,0,0,0|0,0,0]=1 22 B12R1.71 CCCCC1=CC=C(C=C1)C#C 9823 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.113 B(C1=CC=C(C=C1)OCC)(O)O 8548 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl 8331 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.113 CCOC1=NC=C(C=C1)[N+](=O)[O-] 10549 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.116 CCOC1=CC=C(C=C1)CC#N 8347 [0,1,0,0,0,0|1,0,1]=3 27 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 10077 [0,0,0,1,0,0|1,0,2]=4 28 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 9500 [0,0,0,1,0,0|1,0,2]=4 29 B12R2.44 C1COC2=C1C=C(C=C2)C=O 9307 [0,0,0,1,0,0|0,0,0]=1 30 B12R2.44 C1OC2=C(O1)C=C(C=C2)C#N 10107 [0,0,0,1,0,0|2,0,1]=4 31 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl 9991 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.44 c1cc(cc2c1cc[nH]2)C=O F0277 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [2,0,0,0,0,0|0,0,0]=2 36 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 C1=CC(=CC=C1CN)F 5139 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.1 C1=CC(=CC=C1CN)O 8602 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.1 CC1=CC=C(C=C1)CN 9612 [2,0,0,0,0,0|1,0,1]=4 48 B9R1.1 COC1=CC=C(C=C1)Br 6813 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.1 COC1=CC=C(C=C1)F 5383 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.1 COC1=CC=C(C=C1)N 8631 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.1 COC1=CC=C(C=C1)S 8726 [2,0,0,0,0,0|0,1,0]=3 52 B9R1.1 COC1=NC=C(C=C1)Br 9358 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 COC1=NC=C(C=C1)Br 9555 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.1 COC1=NC=C(C=C1)N 9999 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.1 CSC1=CC=C(C=C1)F 9086 [2,0,0,0,0,0|1,1,0]=4 57 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 CCCC1=CC=NC=C1 8669 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.1 C#CCOc1ccc(cc1)N A1659 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.1 CCCCC1=CC=C(C=C1)I 10271 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.20 C1=CC(=CC=C1N)OC(F)F 5637 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.20 C1=CC(=CC=C1OC(F)F)Br 5636 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.20 C1=CC(=CC=C1OC(F)F)Cl 6686 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.20 C1=CC(=CC=C1OC(F)F)I 6213 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.20 CC(C)OC1=CC=C(C=C1)Br 8626 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.20 CC(C)OC1=CC=C(C=C1)N 9611 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.3 B(C1=CC=C(C=C1)C=O)(O)O 10516 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.3 B(C1=CC=C(C=C1)CC)(O)O 5017 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.3 B(C1=CC=C(C=C1)OC)(O)O 9492 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O 6784 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.3 C1=CC(=CC=C1CN)C(=O)O 6756 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N 6778 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.3 COC1=CC=C(C=C1)C(=O)O 10197 [1,1,0,0,0,0|0,0,0]=2 75 B11R1.3 COC1=NC=C(C=C1)C(=O)O 6684 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] N0089 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.279 COC1=C(C=C(C=C1)C#N)F 8483 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.279 COC1=C(C=C(C=C1)CBr)F 6494 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.279 COC1=CC(=C(C=C1)C=O)F 6304 [1,1,0,0,0,0|0,0,0]=2 80 B11R1.279 COC1=CC(=C(C=C1)OC)Br 5967 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.279 COC1=CC(=C(C=C1)OC)N 8812 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.585 CC(=O)c1ccc(cc1)OC(F)F D0099 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.74 C#CCOc1ccc(cc1)[N+](=O)[O-] N1272 [0,2,0,0,0,0|1,0,1]=4 84 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [1,0,0,1,0,0|2,0,0]=4 85 B11R2.36 C1OC2=C(O1)C=C(C=C2)N 9966 [1,0,0,1,0,0|2,0,0]=4 86 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [1,0,0,1,0,0|2,0,0]=4 87 B13R2.669 Cn1ccc2c1cc(cc2)C=O M2844 [0,1,0,1,0,0|1,0,1]=4 88 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)O 10600 [0,1,0,1,0,0|0,0,0]=2