0 B8R1.7 CC(=O)N1C=CN=C1 C02560 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 N=C(N)C1=CNC=C1 C10133 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.7 O=C(O)C1=CC=CN1 C05942 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 O=C(O)C1=CC=CO1 C01546 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 O=[N+]([O-])C1=CC=CO1 C14414 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 O=[N+]([O-])C1=NC=CN1 C14531 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.1 Cl[Hg]C1=CC=CO1 C14282 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.1 O=CC1=CC=CO1 C14279 [1,0,0,0,0,0|0,0,0]=1 8 B7R1.1 OCC1=CC=CO1 C20441 [1,0,0,0,0,0|0,0,2]=3 9 B9R1.11 CCC(=O)N1C=CN=C1 C03007 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.11 [*]SC(=O)C1=CC=CN1 C12483 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.11 [*]SC(=O)C1=CC=CN1 C21567 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.19 NS(=O)(=O)C1=CC=CS1 C14764 [0,1,0,0,0,0|2,1,0]=4 13 B9R1.35 O=C(O)C1=CC=C(O)N1 C19721 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.41 NC(=O)C1=C(N)NC=N1 C04051 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.41 NC1=C(C(=O)O)N=CN1 C05516 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.5 C=C\C=C(\O)C(=O)O C00596 [0,0,1,0,0,0|1,0,0]=2 17 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [0,0,0,0,0,1|2,0,0]=3 18 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [0,0,0,0,0,1|1,0,0]=2 19 B9R1.6 CC(C)C1=CC=CC=C1 C14396 [0,0,0,0,0,1|2,0,1]=4 20 B9R1.6 CC(N)C1=CC=CC=C1 C02455 [0,0,0,0,0,1|2,0,1]=4 21 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [0,0,0,0,0,1|1,0,2]=4 22 B9R1.6 CN(C)C1=CC=CC=C1 C02846 [0,0,0,0,0,1|3,0,0]=4 23 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [0,0,0,0,0,1|1,0,2]=4 24 B9R1.6 N=C(N)C1=CC=CC=C1 C01784 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [0,0,0,0,0,1|2,0,0]=3 26 B9R1.6 NC(=O)C1=CC=NC=C1 C02421 [0,0,0,0,0,1|2,0,0]=3 27 B9R1.6 NC(=O)C1=CN=CC=C1 C00153 [0,0,0,0,0,1|2,0,0]=3 28 B9R1.6 NC(=O)C1=CN=CC=N1 C01956 [0,0,0,0,0,1|2,0,0]=3 29 B9R1.6 NC(=O)C1=NC=CC=C1 C01950 [0,0,0,0,0,1|2,0,0]=3 30 B9R1.6 NC(=S)C1=CC=CC=C1 C16281 [0,0,0,0,0,1|2,1,0]=4 31 B9R1.6 O=C(Cl)C1=CC=CC=C1 C19168 [0,0,0,0,0,1|2,0,0]=3 32 B9R1.6 O=C(O)C1=CC=CC=C1 C00180 [0,0,0,0,0,1|2,0,0]=3 33 B9R1.6 O=C(O)C1=CC=CC=C1 C00539 [0,0,0,0,0,1|2,0,0]=3 34 B9R1.6 O=C(O)C1=CC=NC=C1 C07446 [0,0,0,0,0,1|2,0,0]=3 35 B9R1.6 O=C(O)C1=CN=CC=C1 C00253 [0,0,0,0,0,1|2,0,0]=3 36 B9R1.6 O=C(O)C1=NC=CC=C1 C10164 [0,0,0,0,0,1|2,0,0]=3 37 B9R1.6 O=C(O)C1=NC=CN=C1 C19915 [0,0,0,0,0,1|2,0,0]=3 38 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 C06813 [0,0,0,0,0,1|3,0,0]=4 39 B9R1.13 O=C(O)CC1=CC=CS1 C02595 [0,0,0,0,0,1|1,1,0]=3 40 B9R1.13 O=C(O)CC1=CNC=N1 C02835 [0,0,0,0,0,1|3,0,0]=4 41 B6R0.6 C\C=C\C=C\C=O C19249 [1,0,1,0,0,0|0,0,1]=3 42 B6R1.2 CC1=CN=CN1 C19262 [2,0,0,0,0,0|2,0,0]=4 43 B6R1.2 CC1=NC=CN1 C19261 [2,0,0,0,0,0|2,0,0]=4 44 B6R1.2 O=C1C=CCO1 C17601 [2,0,0,0,0,0|0,0,1]=3 45 B6R1.2 O=C1C=CNO1 C20891 [2,0,0,0,0,0|1,0,0]=3 46 B6R1.2 O=C1CC=CO1 C17602 [2,0,0,0,0,0|0,0,1]=3 47 B6R1.2 O=C1NC=CN1 C20382 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.8 C\C=C/C=C(/O)C(=O)O C11354 [0,1,1,0,0,0|2,0,0]=4 49 B8R0.8 C\C=C/C=C(\O)C(=O)O C20240 [0,1,1,0,0,0|2,0,0]=4 50 B8R0.28 NC(=O)N\C=C/C(=O)O C20254 [0,1,1,0,0,0|2,0,0]=4 51 B8R0.28 O=C(O)\C=C\CC(=O)O C02214 [0,1,1,0,0,0|1,0,1]=4 52 B8R0.2 C=C\C(Cl)=C(/O)C(=O)O C11353 [0,1,1,0,0,0|1,0,0]=3 53 B8R0.23 O=C(O)\C=C(/O)C(=O)O C03981 [0,1,1,0,0,0|2,0,0]=4 54 B8R1.1 CC1=CC=C(C=O)O1 C11115 [1,1,0,0,0,0|0,0,0]=2 55 B8R1.8 O=CCC1=CNC=N1 C05130 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [0,1,0,0,0,1|1,0,0]=3 57 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [0,1,0,0,0,1|1,0,0]=3 58 B10R1.13 CC1=CC=C(C(=O)O)C=C1 C01454 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.13 NC1=CC=C(C(=O)O)C=C1 C00568 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C02370 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.13 O=C(O)C1=CC=C(F)C=C1 C02371 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.13 O=C(O)C1=CC=C(O)C=C1 C00156 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.13 O=C(O)C1=CN=C(O)C=C1 C01020 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [0,1,0,0,0,1|1,0,1]=4 65 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [0,1,0,0,0,1|1,0,0]=3 66 B10R1.15 N#CC(=O)C1=CC=CC=C1 C21329 [0,1,0,0,0,1|1,0,1]=4 67 B10R1.15 NC(=S=O)C1=CC=CC=C1 C16283 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.15 NNC(=O)C1=CC=NC=C1 C07054 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [0,1,0,0,0,1|1,0,0]=3 70 B10R1.61 CC1=C(C(=O)O)C=CC=C1 C07215 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.61 NC1=CC=CC=C1C(=O)O C00108 [0,1,0,0,0,1|2,0,0]=4 72 B10R1.61 O=C(O)C1=CC=CC=C1Cl C02357 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.61 O=C(O)C1=CC=CC=C1F C02359 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.61 O=C(O)C1=CC=CC=C1O C00805 [0,1,0,0,0,1|2,0,0]=4 75 B10R1.61 O=C(O)C1=NC=CC=C1O C18620 [0,1,0,0,0,1|2,0,0]=4 76 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 C07587 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 C08171 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.113 CC1=CC=CC(C(=O)O)=C1 C07211 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 C01004 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 C02918 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 C11731 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.113 NC1C=CC=C(C(=O)O)C1 C12110 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.113 O=C(O)C1=CC(O)=CC=C1 C00587 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.113 O=C(O)C1=CC=CC(F)=C1 C02364 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.54 O=C(O)CC1=CCC(=O)O1 C03586 [0,1,0,0,0,1|1,0,1]=4 86 B10R1.54 O=C(O)CC1C=CC(=O)O1 C04105 [0,1,0,0,0,1|1,0,1]=4 87 B10R1.54 O=C(O)C[C@H]1C=CC(=O)O1 C14610 [0,1,0,0,0,1|1,0,1]=4 88 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 C04431 [0,1,0,0,0,1|1,0,0]=3 89 B10R1.54 O=C(O)\C=C1\C=CC(=O)O1 C12838 [0,1,0,0,0,1|1,0,0]=3 90 B10R1.14 [*]SC(=O)C1=CC=C(C)N1 C12484 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.31 O=C(O)C1=CC=C(CO)O1 C20448 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.31 O=CC1=CC=C(C(=O)O)O1 C20449 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.31 O=CC1=CC=C([N+](=O)[O-])O1 C14281 [0,2,0,0,0,0|2,0,0]=4 94 B8R1.4 CC1=CC(O)=CC=C1 C01467 [0,0,1,1,0,0|1,0,0]=3 95 B8R1.4 CC1=CC=CC(C)=C1 C07208 [0,0,1,1,0,0|2,0,0]=4 96 B8R1.4 NC1=CC(O)=CC=C1 C05058 [0,0,1,1,0,0|1,0,1]=4 97 B8R1.4 OC1=CC=CC(Cl)=C1 C14270 [0,0,1,1,0,0|1,0,1]=4 98 B8R1.4 OC1=CC=CC(O)=C1 C01751 [0,0,1,1,0,0|0,0,2]=4 99 B8R1.4 OC1=CC=CC(O)=N1 C03056 [0,0,1,1,0,0|1,0,1]=4 100 B8R1.5 CC1=C(C)C=CC=C1 C07212 [0,0,1,1,0,0|2,0,0]=4 101 B8R1.5 CC1=C(N)C=CC=C1 C14403 [0,0,1,1,0,0|2,0,0]=4 102 B8R1.5 CC1=CC=CC=C1O C01542 [0,0,1,1,0,0|1,0,0]=3 103 B8R1.5 N=C1C=CC=CC1=O C17500 [0,0,1,1,0,0|1,0,1]=4 104 B8R1.5 NC1=CC=CC=C1O C01987 [0,0,1,1,0,0|1,0,1]=4 105 B8R1.5 O=C1C=CC=CC1=O C02351 [0,0,1,1,0,0|0,0,2]=4 106 B8R1.5 O=C1C=CNC=C1O C03927 [0,0,1,1,0,0|1,0,1]=4 107 B8R1.5 OC1=C(Br)C=CC=C1 C14841 [0,0,1,1,0,0|1,0,1]=4 108 B8R1.5 OC1=C(O)C=CC=C1 C01785 [0,0,1,1,0,0|0,0,2]=4 109 B8R1.5 OC1=CC=CC=C1Cl C14219 [0,0,1,1,0,0|1,0,1]=4 110 B8R1.5 OC1=CC=CC=C1I C01874 [0,0,1,1,0,0|1,0,1]=4 111 B8R1.5 OC1=CC=CC=C1O C00090 [0,0,1,1,0,0|0,0,2]=4 112 B8R1.5 OC1=CC=CC=C1O C15571 [0,0,1,1,0,0|0,0,2]=4 113 B8R1.5 [O]C1=C(O)C=CC=C1 C05060 [0,0,1,1,0,0|0,0,2]=4 114 B8R1.2 C=CC1=CC=CC=C1 C07083 [1,0,0,0,0,1|1,0,1]=4 115 B8R1.2 C=CC1=CC=CC=C1 C19506 [1,0,0,0,0,1|1,0,1]=4 116 B8R1.2 C=CC1=CC=CC=C1 C19573 [1,0,0,0,0,1|1,0,1]=4 117 B8R1.2 C=CC1=CC=CC=C1 C19575 [1,0,0,0,0,1|1,0,1]=4 118 B8R1.2 CCC1=CC=CC=C1 C07111 [1,0,0,0,0,1|1,0,1]=4 119 B8R1.2 CNC1=CC=CC=C1 C02299 [1,0,0,0,0,1|2,0,0]=4 120 B8R1.2 COC1=CC=CC=C1 C01403 [1,0,0,0,0,1|2,0,0]=4 121 B8R1.2 O=CC1=CC=CC=C1 C00193 [1,0,0,0,0,1|1,0,0]=3 122 B8R1.2 O=CC1=CC=CC=C1 C00261 [1,0,0,0,0,1|1,0,0]=3 123 B8R1.2 O=CC1=CN=CC=C1 C07327 [1,0,0,0,0,1|1,0,0]=3 124 B8R1.2 O=NC1=CC=CC=C1 C06876 [1,0,0,0,0,1|2,0,0]=4 125 B8R1.2 O=[C]C1=CC=NC=C1 C21754 [1,0,0,0,0,1|1,0,1]=4 126 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [0,0,0,0,0,2|1,0,0]=3 127 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [0,0,0,0,0,2|1,0,0]=3 128 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [0,0,0,0,0,2|1,0,0]=3 129 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [0,0,0,0,0,2|1,0,0]=3 130 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [0,0,0,0,0,2|2,0,0]=4 131 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [0,0,0,0,0,2|2,0,0]=4 132 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C00484 [0,0,0,0,0,2|2,0,0]=4 133 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C01402 [0,0,0,0,0,2|2,0,0]=4