0 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 BB31-7884 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 CC(=O)C1=C(O)C=NC=C1 BB32-1019 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 CC(=O)C1=CC=CN=C1Br BB31-6615 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 CC(C)C1=C(O)C=CC=N1 BB31-4057 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.61 CC(C)C1=CN=CN=C1Cl BB31-0216 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 CC(N)C1=C(Br)C=CC=C1 BB31-0378 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.61 CC(O)C1=C(F)C=CC=N1 BB31-5459 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 CC1=C(C(=N)N)C=CC=C1 BB31-5703 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.61 CN(C)C1=C(Br)C=CC=N1 BB31-9343 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 CN(C)C1=C(Br)C=NC=C1 BB31-6826 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.61 CN(C)C1=C(F)C=CC=C1 BB32-1594 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 BB31-0478 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 BB31-0488 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 BB31-7807 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 BB31-1004 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 BB31-2127 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 BB31-8099 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.61 FC(F)C1=C(Br)C=CC=N1 BB31-9330 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.61 NC(=O)C1=C(O)C=NC=C1 BB31-0185 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.61 NC1=C(C(F)F)C=CC=C1 BB31-2757 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.61 O=[N+]([O-])C1=C(O)C=NC=C1 BB31-9668 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.6 C=C(C)C1=CC=CN=C1 BB32-0833 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.6 CC(N)C1=NC=CC=N1 BB31-3285 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 CN(C)C1=NC=NC=C1 BB32-2121 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 C[C@@H](N)C1=CC=NC=C1 BB31-0181 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 C[C@@H](N)C1=NC=CC=C1 BB31-9751 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 CC1=C(CN)C=NC=C1 BB31-2786 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 CC1=C(CO)C=CN=C1 BB32-1626 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 CNC1=C(C)C=CN=C1 BB31-7097 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.15 CNC1=C(N)C=CN=C1 BB32-0831 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.15 CNC1=NC=CC=C1C BB32-0851 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.15 COC1=C(F)C=NC=C1 BB31-8443 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 COC1=C(N)C=CN=C1 BB32-2356 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 COC1=C(O)C=NC=C1 BB31-8011 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.15 COC1=CC=CN=C1O BB52-8591 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.15 CSC1=C(Br)C=CC=N1 BB32-2292 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.15 CSC1=C(N)N=CC=C1 BB32-0864 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.15 ClCC1=C(Cl)C=CC=N1 BB31-1049 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.15 N#CC1=C(O)C=NC=C1 BB31-6535 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.15 NC1=C(CO)C=CN=C1 BB31-8031 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.15 NC1=CC=CN=C1CO BB31-5760 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.15 NCC1=C(F)C=CC=N1 BB32-1717 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.15 NCC1=C(F)C=NC=C1 BB31-8560 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.15 NCC1=CC=CN=C1Br BB31-3840 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.15 NCC1=CC=CN=C1F BB31-3839 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.15 NCC1=CC=CN=C1F BB31-6576 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.15 NCC1=CC=CNC1=O BB31-8567 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.15 NNC1=C(I)C=CC=C1 BB32-3554 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.15 O=C1NC=CC=C1CO BB32-1653 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.15 OCC1=C(Cl)C=NC=C1 BB31-5373 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.15 OCC1=C(O)C=NC=C1 BB32-1573 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 BB31-9300 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.53 CC(C)C1=C(C=O)C=CC=C1 BB31-4875 [0,1,0,0,0,0|0,0,1]=2 53 B11R1.53 CC(O)C1=C(C#N)C=CC=C1 BB31-3613 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.53 CN(C)C1=C(CO)C=CC=C1 BB32-2780 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 BB32-0506 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.53 COC1=C(C(=N)N)C=CC=C1 BB32-0582 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.87 CC(C)(C)C1=C(Br)C=NC=N1 BB32-0493 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.87 CC(C)(N)C1=C(Br)C=CC=C1 BB32-0590 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.87 CC(C)(O)C1=C(I)C=CC=C1 BB32-3901 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.87 CC(C)(O)C1=C(O)C=CC=C1 BB32-1207 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.87 CC(C)(O)C1=CC=CN=C1F BB32-1618 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O BB32-2577 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.156 CC(C)C1=C(F)C=CC=C1O BB32-0055 [0,1,0,0,0,0|0,0,0]=1 64 B11R1.156 C[C@@H](N)C1=C(F)C=CC=C1F BB31-1674 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.156 C[C@@H](N)C1=C(F)C=CC=C1F BB32-0029 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.156 C[C@H](N)C1=C(Cl)C=CC=C1F BB31-0043 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.156 C[C@H](N)C1=C(F)C=CC=C1F BB31-1675 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.156 C[C@H](O)C1=C(Cl)C=NC=C1Cl BB31-2057 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.156 NC(=O)C1=C(F)C=CC=C1O BB31-3258 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br BB31-3133 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.159 CC(C)C1=CC=CC(F)=C1N BB31-1571 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.159 CC(N)C1=CC=CC(Cl)=C1Cl BB32-1783 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.159 CC(N)C1=CC=CC(Cl)=C1Cl BB32-1836 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.159 CC(O)C1=CC=CC(F)=C1F BB31-0908 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.159 C[C@@H](N)C1=CC=CC(Cl)=C1F BB31-1152 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.159 C[C@@H](N)C1=CC=CC(F)=C1F BB32-0140 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1F BB31-1728 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1F BB31-9724 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1O BB31-4894 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 BB32-1815 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.166 CC(N)C1=C(Br)C=C(F)C=C1 BB31-9383 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.166 CC(N)C1=C(F)C=C(Br)C=C1 BB31-9384 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 BB31-4356 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.166 CN(C)C1=C(Br)C=C(I)C=C1 BB12-5134 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.166 C[C@@H](N)C1=C(Br)C=C(F)C=C1 BB32-0675 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.166 C[C@@H](N)C1=C(F)C=C(Br)C=C1 BB31-6706 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 BB31-5408 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 BB31-6819 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 BB31-3159 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 BB32-0603 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 BB31-1701 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 BB31-6720 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 BB31-2893 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 BB31-9255 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.167 CC(=O)C1=C(O)C=CC(I)=C1 BB31-7249 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.167 CC(C)N1C=C(Br)C=CC1=O BB31-6653 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.167 CC(N)C1=C(Cl)C=CC(Cl)=C1 BB32-2937 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.167 CC1=C(N(C)C)C=C(O)C=C1 BB31-8396 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.167 C[C@@H](N)C1=C(F)C=CC(Cl)=C1 BB31-2124 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.167 C[C@@H](N)C1=C(F)C=CC(F)=C1 BB32-0131 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.167 NC1=CC(C(F)F)=C(F)C=C1 BB31-7713 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.222 CC1=C(N(C)C=O)C=CC=C1 BB31-1907 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.222 CNC(=O)C1=NC=CC=C1O BB31-1334 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 BB31-1755 [0,1,0,0,0,0|2,0,0]=3 105 B11R2.1 CC1=NOC2=C1C=CC=C2 BB31-4705 [0,0,0,1,0,0|1,0,1]=3 106 B11R2.1 O=C1COC2=C1C=CN=C2 BB31-9000 [0,0,0,1,0,0|2,0,1]=4 107 B11R2.1 O=C1CSC2=C1C=CC=C2 BB31-1622 [0,0,0,1,0,0|1,1,1]=4 108 B11R2.1 OC1CCC2=C1C=CC=N2 BB31-8742 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 BB31-5413 [0,0,0,1,0,0|2,0,0]=3 110 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 BB31-4659 [0,0,0,1,0,0|2,0,0]=3 111 B11R2.55 FC1=NC=CC=C1C2CC2 BB31-0827 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.41 CC(C)N1N=CC=C1N BB05-2489 [0,0,0,0,1,0|3,0,0]=4 113 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 BB31-8198 [0,0,0,0,0,1|2,0,1]=4 114 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 BB12-7660 [0,0,0,0,0,1|2,0,1]=4 115 B11R1.86 CC(C)CC1=C(N)C=CC=C1 BB31-7006 [0,0,0,0,0,1|1,0,0]=2 116 B11R1.86 CC(C)NC1=NC=CC=C1N BB31-8117 [0,0,0,0,0,1|2,0,0]=3 117 B11R1.86 CC(C)OC1=C(Cl)C=CC=N1 BB32-1109 [0,0,0,0,0,1|2,0,0]=3 118 B11R1.86 CC(C)OC1=C(I)C=CC=N1 BB31-5799 [0,0,0,0,0,1|2,0,0]=3 119 B8R1.2 NCC1=CC=NC=C1 BB32-3106 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.5 CC1=C(F)C=CN=C1 BB31-4475 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.5 CC1=C(I)C=NC=C1 BB32-1776 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.5 OC1=C(O)C=NC=C1 BB31-0244 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.13 CC(C)C1=CC=C(N)N=N1 BB32-3140 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.13 CC(C)C1=NC=C(Br)C=C1 BB31-0706 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.13 CC(C)C1=NN=C(Br)C=C1 BB31-9165 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.13 CC(C)C1=NN=C(Br)C=C1 BB31-9854 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.13 CC(O)C1=CN=C(Cl)C=C1 BB32-1451 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.13 CC1=NC=C(C(C)N)C=C1 BB31-7487 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.13 CN(C)C1=CC=C(I)C=C1 BB12-5133 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.13 CN(C)C1=CN=C(N)C=C1 BB31-7808 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.13 CN(C)C1=NC=C(I)C=C1 BB32-1805 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.13 CN(C)C1=NC=C(N)C=C1 BB32-2424 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 BB31-0481 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-1090 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-2900 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [1,1,0,0,0,0|0,0,2]=4 138 B10R1.15 CCC(N)C1=CC=CN=C1 BB31-0914 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [1,1,0,0,0,0|0,0,0]=2 141 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [1,1,0,0,0,0|0,0,0]=2 142 B10R1.15 NC(CO)C1=NC=CC=C1 BB31-5647 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.28 CC(C)(N)C1=CC=CN=C1 BB31-5567 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.28 CC(C)(N)C1=CC=NC=C1 BB31-5575 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.28 CC(C)(N)C1=NC=CC=C1 BB32-2362 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.28 CC(C)(O)C1=NC=CC=C1 BB32-1616 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 BB31-5431 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.113 CC(C)C1=CN=CC(N)=C1 BB31-1267 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 BB31-7554 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.113 CC(C)C1=NC=CC(Cl)=N1 BB31-7204 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.113 CC(C)C1=NC=CC(N)=C1 BB32-2144 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.113 CC(O)C1=CC=CC(Br)=N1 BB31-9694 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 BB31-0480 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.113 CC1=CC=CC([C@@H](C)O)=C1 BB32-1902 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 BB32-2691 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 BB32-3260 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.113 CN(C)C1=CC=CC(Br)=N1 BB31-8405 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.113 CN(C)C1=CC=CC(F)=C1 BB31-4166 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 BB32-0142 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 BB31-7991 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 BB31-5432 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.113 NC1=CC=CC(C(F)F)=C1 BB31-3122 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.113 OC1=CC=CC(C(F)F)=C1 BB32-2098 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.2 CNC1=CC=CC(Br)=C1N BB31-0621 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.2 COC1=C(Cl)C(N)=CC=C1 BB31-6645 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.2 COC1=C(N)C(O)=CC=C1 BB31-4933 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.2 COC1=CC=CC(F)=C1C BB31-8931 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.2 COC1=CC=CC(F)=C1Cl BB32-2640 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.2 COC1=CC=CC(I)=C1Br BB31-8698 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.2 NC1=C(Br)C=CC=C1CO BB32-1974 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.2 NCC1=CC=CC(Br)=C1F BB31-4390 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.2 O=CC1=CC=CC(I)=C1O BB31-4248 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.2 OCC1=CC=CC(F)=C1Br BB31-8992 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.2 OCC1=CC=CC(F)=C1I BB31-1529 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.4 CC1=C(CON)C=CC=C1 BB31-8696 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.4 CCNC1=C(N)C=NC=C1 BB31-2606 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.4 CCNC1=C(O)C=CC=C1 BB31-4887 [1,1,0,0,0,0|0,0,0]=2 178 B10R1.4 CCOC1=CC=CN=C1Br BB31-6362 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.4 CNCC1=C(O)C=CC=C1 BB31-5689 [1,1,0,0,0,0|0,0,0]=2 180 B10R1.4 NOCC1=C(Cl)C=CC=C1 BB32-2623 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.4 OCCC1=C(I)C=CC=C1 BB31-4375 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.20 C#CC1=C(CO)C=CC=C1 BB31-8444 [1,1,0,0,0,0|0,0,2]=4 183 B10R1.20 COC1=C(CO)N=CC=C1 BB32-2504 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.20 N#CC1=C(CN)C=CC=C1 BB31-0354 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.20 N#CC1=C(CN)C=CC=C1 BB32-1359 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.20 OCC1=CC=CN=C1CO BB32-1784 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.25 CC1=CC(N)=C(CO)C=C1 BB31-6811 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.25 CCC1=C(F)C=C(Br)C=C1 BB32-3524 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.25 CCC1=C(N)C=C(Br)C=C1 BB31-2864 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.25 CCC1=NC=C(C)C=C1C BB31-8237 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.25 CNC1=C(Cl)C=C(F)C=C1 BB31-6776 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.25 CNC1=C(F)C=C(Br)C=C1 BB32-1250 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.25 CNC1=C(N)C=C(C)C=C1 BB32-2054 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.25 COC1=C(F)C=C(S)C=C1 BB31-6341 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.25 COC1=CN=C(Br)C=C1O BB31-7686 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.25 COC1=NC=C(Br)C=C1O BB31-9713 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.25 CSC1=C(Br)C=C(F)C=C1 BB31-5668 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.25 FC1=CC(I)=C(CBr)C=C1 BB32-3713 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.25 N#CC1=C(O)C=C(N)C=C1 BB31-5029 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.25 NC1=CC(Cl)=C(CO)C=C1 BB32-2709 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.25 NCC1=C(O)C=C(Br)C=C1 BB31-9160 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 BB31-7669 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.30 CC1=CC(CO)=C(Br)C=C1 BB32-3813 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.30 CC1=CC=C(O)C(CCl)=N1 BB31-7158 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.30 CCC1=C(Br)C=CC(I)=C1 BB31-0423 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.30 CCC1=C(O)C=CC(Br)=C1 BB31-3966 [1,1,0,0,0,0|0,0,0]=2 207 B10R1.30 COC1=C(C)C=CC(I)=C1 BB32-1094 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.30 COC1=C(C)C=CC(O)=C1 BB31-4015 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.30 COC1=C(I)C=CC(C)=C1 BB31-7787 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.30 COC1=C(I)C=CC(N)=C1 BB31-9407 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5893 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5894 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.30 NCC1=C(N)C=CC(Br)=C1 BB31-8668 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.30 OCC1=C(O)C=CC(I)=C1 BB31-9654 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.245 CCC1=C(Br)C=NC=C1F BB31-2074 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.245 CNC1=C(Br)C=CC=C1N BB31-0597 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.245 NCC1=C(Br)C=CC=C1F BB31-4389 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.245 NCC1=C(Cl)C=CC=C1N BB31-8233 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.39 CC(C)N1C=CN=C1CO BB52-0215 [0,1,0,0,1,0|2,0,0]=4 220 B12R1.75 C=CC1=C(OC(C)C)C=CC=C1 BB31-7090 [0,1,0,0,0,1|1,0,0]=3 221 B12R1.75 CC(C)OC1=C(C#N)C=CC=N1 BB52-5988 [0,1,0,0,0,1|2,0,0]=4 222 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 BB31-5356 [0,1,0,0,0,1|1,0,0]=3 223 B12R1.127 CC(C)NC1=C(N)C=CC(Br)=C1 BB31-9307 [0,1,0,0,0,1|1,0,0]=3 224 B12R1.151 CC(C)(C)SC1=C(N)N=CC=C1 BB32-2261 [0,1,0,0,0,1|2,0,0]=4 225 B12R1.151 CC(C)(O)CC1=C(Cl)C=CC=C1 BB32-3575 [0,1,0,0,0,1|1,0,0]=3 226 B12R1.233 CN(C)CC1=C(F)C=C(Br)C=C1 BB31-9341 [0,1,0,0,0,1|2,0,0]=4 227 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 BB31-8018 [0,2,0,0,0,0|0,0,0]=2 228 B12R1.46 COC1=C(C(C)C)C=C(N)C=C1 BB31-7417 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.46 COC1=C(C(C)N)C=C(Cl)C=C1 BB32-2037 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.57 CN(C)C1=CC=C(N)C=C1C#N BB12-6116 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.57 COC1=C([C@@H](C)N)C=CC(F)=C1 BB32-0149 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.76 CS(=O)(=O)C1=C(CO)C=CC=C1 BB31-5592 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.261 CC(=O)C1=C(N(C)C)C=CC=C1 BB31-9433 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.261 C[C@H](N)C1=C([N+](=O)[O-])C=CC=C1 BB31-8228 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 BB31-5048 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.126 CC(C)(C)C1=C(Br)C=C(N)C=C1 BB31-9409 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.126 OC1=C(C(F)(F)F)C=CC(Br)=C1 BB31-5098 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.128 CC(C)(C)C1=C(O)C=CC(Cl)=C1 BB31-9747 [0,2,0,0,0,0|0,0,0]=2 239 B12R1.195 CC(C)(CO)C1=C(Cl)C=CC=C1 BB31-9205 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.228 NC1=CC=CC(C(F)(F)F)=C1O BB31-7292 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.1000 CC(=O)C1=C(F)C=C(Cl)C=C1O BB31-7883 [0,2,0,0,0,0|1,0,1]=4 242 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1O BB32-0584 [0,2,0,0,0,0|1,0,1]=4 243 B12R1.3441 COC(=O)C1=C(O)C=CC=C1C BB31-7945 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.24 COC(=O)C1=CC=CC(F)=C1O BB31-7013 [0,2,0,0,0,0|1,0,1]=4 245 B12R1.440 COC1=CC=CC(C(C)=O)=C1O BB31-6997 [0,2,0,0,0,0|1,0,1]=4 246 B12R1.511 CC(=O)C1=CC(Br)=CC(F)=C1O BB31-9116 [0,2,0,0,0,0|1,0,1]=4 247 B12R1.232 CC(=O)C1=CC(Br)=C(F)C=C1O BB31-5199 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.232 CC(=O)C1=CC(Cl)=C(Cl)C=C1O BB32-0979 [0,2,0,0,0,0|1,0,1]=4 249 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 BB31-8346 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.452 CN(C)C1=C(N)C=C(C#N)C=C1 BB12-6095 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 BB31-0593 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.1703 N[C@H](CO)C1=C(Cl)C=C(Cl)C=C1 BB31-2433 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.1703 O=C(CCl)C1=C(O)C=C(O)C=C1 BB31-4319 [0,2,0,0,0,0|1,0,1]=4 254 B12R1.453 CC(C)C1=C(O)C=CC(C#N)=C1 BB32-2830 [0,2,0,0,0,0|0,0,0]=2 255 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 BB31-4270 [0,2,0,0,0,0|1,0,1]=4 256 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 BB31-8060 [0,2,0,0,0,0|0,0,0]=2 257 B12R1.453 COC1=CC([C@@H](C)N)=C(F)C=C1 BB31-9725 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [0,0,1,1,0,0|1,0,1]=4 259 B10R1.66 CC(C)NCC1=CC=CO1 BB52-0642 [0,0,1,1,0,0|1,0,1]=4 260 B10R1.31 CC(C)C1=COC(C=O)=C1 BB32-0360 [0,0,1,1,0,0|1,0,0]=3 261 B10R2.7 C1=CC2=C(C=C1)SCS2 BB32-1488 [1,0,0,1,0,0|1,1,0]=4 262 B10R2.7 C1=CC2=C(C=N1)CCN2 BB31-4247 [1,0,0,1,0,0|2,0,0]=4 263 B10R2.7 C1=CC2=C(C=N1)CCN2 BB32-3376 [1,0,0,1,0,0|2,0,0]=4 264 B10R2.7 C1=CC2=C(C=N1)NCC2 BB31-4675 [1,0,0,1,0,0|2,0,0]=4 265 B10R2.7 C1=CN=C2CCNC2=C1 BB31-9759 [1,0,0,1,0,0|2,0,0]=4 266 B10R2.7 C1=CN=C2CCNC2=C1 BB32-0564 [1,0,0,1,0,0|2,0,0]=4 267 B12R2.24 CC1=NC2=CC=CC=C2SC1 BB52-7622 [0,0,0,1,0,1|0,1,1]=4 268 B12R2.24 CC1CNC2=C(C=CC=C2)C1 BB31-4086 [0,0,0,1,0,1|1,0,0]=3 269 B12R2.24 CC1CNC2=C(C=CC=C2)N1 BB32-3882 [0,0,0,1,0,1|1,0,0]=3 270 B12R2.24 CC1CNC2=C(C=CC=C2)S1 BB32-3335 [0,0,0,1,0,1|1,0,0]=3 271 B12R2.24 CC1COC2=C(C=CC=C2)N1 BB32-1397 [0,0,0,1,0,1|0,0,0]=2 272 B12R2.24 CN1CCC2=C(C=CC=C2)C1 BB32-2641 [0,0,0,1,0,1|2,0,0]=4 273 B12R2.24 NC1CNC2=C(C=CC=C2)C1 BB32-1614 [0,0,0,1,0,1|2,0,0]=4 274 B12R2.24 NC1COC2=C(C=CC=C2)C1 BB31-4949 [0,0,0,1,0,1|1,0,0]=3 275 B12R2.24 OC1CNC2=C(C=CC=C2)C1 BB32-1531 [0,0,0,1,0,1|2,0,0]=4 276 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 BB31-5698 [0,0,0,1,0,1|1,0,1]=4 277 B12R2.202 CC1CC2=CC=CC(N)=C2O1 BB31-4399 [0,0,0,1,0,1|1,0,0]=3 278 B12R2.225 BrC1=C(OC2CC2)C=CC=C1 BB32-1911 [0,0,0,1,0,1|1,0,0]=3 279 B12R2.225 NC1=C(NC2CC2)C=CN=C1 BB31-2605 [0,0,0,1,0,1|2,0,0]=4 280 B12R2.1081 CC1CCNC2=C1C=CC=C2 BB31-4716 [0,1,0,1,0,0|1,0,0]=3 281 B12R2.1081 CN1CCNC2=C1C=CC=C2 BB31-1425 [0,1,0,1,0,0|2,0,0]=4 282 B12R2.1081 NC1CCOC2=C1N=CC=C2 BB32-2879 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 BB32-1584 [0,1,0,1,0,0|2,0,0]=4 284 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 BB31-4049 [0,1,0,1,0,0|1,0,0]=3 285 B12R2.1081 O=C1COCC2=C1C=CC=C2 BB31-4135 [0,1,0,1,0,0|1,0,1]=4 286 B12R2.1081 OC1COCC2=C1C=CC=C2 BB31-4134 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 BB31-4223 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.2028 NC1CC(=O)C2=C1C=CC=C2 BB32-0444 [0,1,0,1,0,0|1,0,1]=4 289 B12R2.2048 NCC1=C(C2CC2)C=CC=C1 BB31-7809 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.2048 O=CC1=C(C2CC2)C=CC=C1 BB32-0977 [0,1,0,1,0,0|0,0,1]=3 291 B12R2.2048 OCC1=C(C2CC2)C=CC=C1 BB31-8182 [0,1,0,1,0,0|0,0,0]=2 292 B12R2.88 CC1=C(C2(N)CC2)C=CC=C1 BB31-7582 [0,1,0,1,0,0|1,0,0]=3 293 B12R2.88 NC1(C2=C(Cl)C=CC=C2)CC1 BB31-6531 [0,1,0,1,0,0|1,0,0]=3 294 B12R2.203 CC1=NNC2=CC=CC(O)=C21 BB31-2859 [0,1,0,1,0,0|1,0,1]=4 295 B12R2.203 NC1CCC2=CC=CC(Br)=C21 BB31-9389 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.203 N[C@@H]1COC2=CC=CC(F)=C21 BB32-0139 [0,1,0,1,0,0|1,0,0]=3 297 B12R2.196 CC1=CC=CC2=C1CCC2O BB32-3812 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.196 CC1=CC=CC2=C1OCC2=O BB31-6076 [0,1,0,1,0,0|1,0,1]=4 299 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 BB31-0904 [0,1,0,1,0,0|2,0,0]=4 300 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 BB31-0902 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 BB31-1669 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.196 O=C1COC2=C(Br)C=CC=C12 BB31-4960 [0,1,0,1,0,0|1,0,1]=4 303 B12R2.196 OC1COC2=C(Br)C=CC=C21 BB31-2504 [0,1,0,1,0,0|1,0,0]=3 304 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 BB32-1861 [0,1,0,1,0,0|0,0,2]=4 305 B12R2.612 CC1=NOC2=C1C=CC(Br)=C2 BB31-4871 [0,1,0,1,0,0|1,0,1]=4 306 B12R2.612 CN1CCC2=C1C=CC(N)=C2 BB31-1016 [0,1,0,1,0,0|2,0,0]=4 307 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 BB31-9391 [0,1,0,1,0,0|2,0,0]=4 308 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 BB31-7488 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.612 NC1CCC2=C1C=CC(F)=C2 BB31-2856 [0,1,0,1,0,0|2,0,0]=4 310 B12R2.612 NC1COC2=C1C=CC(Br)=C2 BB31-2188 [0,1,0,1,0,0|1,0,0]=3 311 B12R2.612 NC1COC2=C1C=CC(Br)=C2 BB31-7379 [0,1,0,1,0,0|1,0,0]=3 312 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 BB31-2788 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 BB31-7436 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.612 O=C1COC2=C1C=CC(F)=C2 BB31-6050 [0,1,0,1,0,0|1,0,1]=4 315 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 BB31-6723 [0,1,0,1,0,0|1,0,1]=4 316 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 BB32-3775 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.132 NC1CCC2=C1C=C(F)C=C2 BB31-0781 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.132 NC1COC2=C1C=C(Cl)C=C2 BB31-6960 [0,1,0,1,0,0|1,0,0]=3 319 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 BB31-9837 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.1 BrCC1=NOC2=C1C=CC=C2 BB51-1493 [0,1,0,1,0,0|1,0,1]=4 321 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 BB32-1322 [0,1,0,1,0,0|0,0,1]=3 322 B8R1.7 CC(N)C1=CC=CS1 BB32-0760 [1,0,0,0,1,0|2,0,0]=4 323 B8R1.11 CCN1N=CC=C1O BB31-7938 [1,0,0,0,1,0|2,0,0]=4 324 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [0,0,0,0,0,2|1,0,1]=4