0 B11R1.3 B(C1=CC=C(C=C1)C=O)(O)O 10516 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O 6784 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N 6778 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 CN(C)C1=CC=C(C=C1)CN 9794 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] N0089 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 C1=CC(=CC=C1C=O)C#N 5691 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.3 C1=CC(=CC=C1C=O)C#N 5751 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.3 C1=CC(=CC=C1CN)C#N C0297 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.3 CCC1=CC=C(C=C1)C#C 10015 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.3 COC1=CC=C(C=C1)C#C 9950 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.3 COC1=CC=C(C=C1)C=O 8125 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.3 COC1=CC=C(C=C1)CN 8511 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.3 COC1=NC=C(C=C1)C=O 5473 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.3 c1cc(ccc1C=O)C#N F0081 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.6 C1=CC(=CC=C1C=O)C(F)(F)F 9923 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.6 CC(C)(C)C1=CC=C(C=C1)NN 9720 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.6 CC(C)(C)c1ccc(cc1)C=O B0039 [0,1,0,0,0,0|0,0,0]=1 23 B12R1.6 CC(C)(C)c1ccc(cc1)C=O B0039 [0,1,0,0,0,0|0,0,0]=1 24 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O 5188 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=S 8386 [0,1,0,0,0,0|0,1,1]=3 26 B12R1.113 CN(C)c1ccc(cc1)CCN A7891 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O 8606 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.256 B(C1=CC=C(C=C1)C(=O)N)(O)O 10092 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.256 B(C1=CC=C(C=C1)C(=O)O)(O)O 5632 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.256 B(C1=CC=C(C=C1)C(=O)O)(O)O 6449 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C 10544 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C 10220 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)C 5826 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O 9876 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.256 c1cc(ccc1C(F)F)C(=O)O D1292 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O 5133 [0,0,0,0,0,1|1,0,1]=3 37 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O 10413 [0,0,0,0,0,1|0,0,0]=1 38 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 C1=CC(=CC=C1CN)F 5139 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 C1=CC(=CC=C1CN)O 8602 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.1 CC1=CC=C(C=C1)CN 9612 [2,0,0,0,0,0|1,0,1]=4 53 B9R1.1 COC1=CC=C(C=C1)Br 6813 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 COC1=CC=C(C=C1)F 5383 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.1 COC1=CC=C(C=C1)N 8631 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.1 COC1=CC=C(C=C1)S 8726 [2,0,0,0,0,0|1,1,0]=4 57 B9R1.1 CSC1=CC=C(C=C1)F 9086 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.6 CC(C1=CC=NC=C1)O 9776 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.6 CN(C)C1=CC=NC=C1 5603 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 CN(C)c1ccncc1 D0718 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.83 CCOC1=CC=C(C=C1)C=O 9437 [1,1,0,0,0,0|0,0,0]=2 62 B11R1.83 C\C=C\C1=CC=C(C=C1)OC 5527 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.279 COC1=CC(=C(C=C1)C=O)F 6304 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br 5112 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O 9567 [1,1,0,0,0,0|0,0,1]=3 66 B13R1.585 CC(=O)c1ccc(cc1)OC(F)F D0099 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.537 COC(=O)c1ccc(cc1)C(F)F M0402 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.38 C1=CC(=C(C=C1C(F)(F)F)F)C=O 8153 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.96 C1=CC(=C(C=C1C=O)F)C(F)(F)F 10065 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.338 B(C1=CC=C(C=C1)C(C)(C)C)(O)O 8770 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.338 C1=CC(=CC=C1C(=O)N)C(F)(F)F 10358 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.338 C1=CC(=CC=C1C(=O)N)C(F)(F)F 10374 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.338 C1=CC(=CC=C1C(=O)O)C(F)(F)F 8588 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.338 C1=CC(=CC=C1C(=O)O)C(F)(F)F 9944 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.338 CC(=O)C1=CC=C(C=C1)C(F)(F)F 8006 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.338 CC(=O)C1=CC=C(C=C1)C(F)(F)F 9496 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O 5489 [0,2,0,0,0,0|0,0,0]=2 78 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)N 9375 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)O 6587 [0,2,0,0,0,0|2,0,0]=4 80 B13R2.2130 CN1C=CC2=C1C=CC(=C2)C=O M2856 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.20 CC(C)OC1=CC=C(C=C1)Br 8626 [1,0,0,0,0,1|1,0,0]=3 82 B11R1.20 CC(C)OC1=CC=C(C=C1)N 9611 [1,0,0,0,0,1|1,0,0]=3