0 B7R1.1 BrCC1=NC=CS1 BB17-3001 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.1 CCC1=CN=CN1 BB31-2770 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 ClCC1=CC=NO1 BB54-1978 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.1 ClCC1=CN=CS1 BB31-9749 [0,0,0,0,0,0|2,1,1]=4 4 B7R1.1 ClCC1=CSC=N1 BB52-8495 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 ClCN1C=CC=N1 BB32-3719 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 NCC1=CC=NO1 BB31-7725 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.1 NCC1=CSC=N1 BB31-0500 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.1 NCC1=NC=CN1 BB31-5150 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 NCC1=NC=CO1 BB31-4984 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.1 NNC1=NC=CS1 BB52-5374 [0,0,0,0,0,0|3,1,0]=4 11 B7R1.1 O=CC1=CN=CO1 BB31-8199 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.1 O=CC1=CSN=N1 BB31-4453 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 O=CC1=NC=CO1 BB31-4873 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.1 OCC1=CC=NO1 BB31-7380 [0,0,0,0,0,0|1,0,2]=3 15 B7R1.1 OCC1=NC=CO1 BB31-1661 [0,0,0,0,0,0|1,0,2]=3 16 B6R1.2 BrC1=CC=NN1 BB52-6941 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 BrC1=COC=N1 BB31-9969 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 BrC1=NC=CO1 BB31-1167 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 ClC1=NC=CS1 BB52-6859 [1,0,0,0,0,0|2,1,0]=4 20 B6R1.2 FC1=NNC=C1 BB31-2835 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 IC1=NC=CS1 BB31-4591 [1,0,0,0,0,0|2,1,0]=4 22 B6R1.2 NC1=CC=NS1 BB31-5278 [1,0,0,0,0,0|2,1,0]=4 23 B6R1.2 NC1=CN=CS1 BB31-3634 [1,0,0,0,0,0|2,1,0]=4 24 B6R1.2 O=C1C=CCS1 BB32-1702 [1,0,0,0,0,0|0,1,1]=3 25 B6R1.2 O=C1C=CON1 BB32-3109 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.1 C#CC1=CC=C(Br)S1 BB31-8445 [0,1,0,0,0,0|1,1,1]=4 27 B8R1.1 C#CC1=CC=C(C)S1 BB31-6813 [0,1,0,0,0,0|1,1,1]=4 28 B8R1.1 C(=O)C1=CC=C(F)S1 BB05-4502 [0,1,0,0,0,0|0,1,0]=2 29 B8R1.1 CC1=NC(C=O)=CO1 BB52-2373 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.1 CC1=NN=C(C=O)S1 BB32-3387 [0,1,0,0,0,0|2,1,0]=4 31 B8R1.1 CC1=NOC(CO)=C1 BB31-2615 [0,1,0,0,0,0|1,0,2]=4 32 B8R1.1 CN1C=CC(C=O)=C1 BB32-1972 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.1 N#CC1=CC=C(N)S1 BB32-2606 [0,1,0,0,0,0|1,1,1]=4 34 B8R1.1 NC1=NC(C=O)=CS1 BB31-7181 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.1 NCC1=CC=C(Br)O1 BB95-5747 [0,1,0,0,0,0|1,0,1]=3 36 B8R1.1 O=CC1=CC(Cl)=CS1 BB32-3153 [0,1,0,0,0,0|0,1,0]=2 37 B8R1.1 O=CC1=CC=C(Br)N1 BB31-7304 [0,1,0,0,0,0|1,0,0]=2 38 B8R1.1 O=CC1=NC=C(Cl)S1 BB31-4728 [0,1,0,0,0,0|1,1,0]=3 39 B8R1.1 OCC1=CC=C(F)S1 BB05-4736 [0,1,0,0,0,0|0,1,2]=4 40 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.7 CC(N)C1=CC=CS1 BB32-0760 [0,1,0,0,0,0|1,1,1]=4 43 B8R1.7 N=C(N)C1=CC=CO1 BB52-5806 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.7 NC(=O)C1=COC=C1 BB32-3212 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.7 NC(=O)C1=NC=CN1 BB31-3274 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.7 NC(=O)C1=NC=CO1 BB31-8539 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.7 NC(=S)C1=CC=CO1 BB31-3461 [0,1,0,0,0,0|0,1,0]=2 48 B8R1.7 NC(=S)C1=COC=N1 BB31-4999 [0,1,0,0,0,0|2,1,0]=4 49 B8R1.7 NC(=S)C1=CSC=N1 BB32-3973 [0,1,0,0,0,0|2,1,0]=4 50 B8R1.7 O=C(O)C1=CC=NS1 BB54-5260 [0,1,0,0,0,0|1,1,0]=3 51 B8R1.7 O=C(O)C1=CN=CO1 BB52-2257 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.7 O=C(O)C1=NON=C1 BB54-2722 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [0,1,0,0,0,0|1,0,2]=4 54 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [0,1,0,0,0,0|1,0,2]=4 55 B8R1.7 O=C([O-])C1=NC=CO1 BB31-1161 [0,1,0,0,0,0|1,0,0]=2 56 B8R1.7 O=[N+]([O-])C1=CC=CN1 BB31-4901 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.11 C(=O)C1=C(C)C=NN1 BB05-4543 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.11 CC1=C(C=O)SN=N1 BB31-1759 [0,1,0,0,0,0|2,1,0]=4 59 B8R1.11 CC1=CSC=C1C=O BB32-4004 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.11 CN1C=CC=C1CN BB51-0595 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.11 CN1C=CN=C1C=O BB52-0221 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.11 CN1N=NC=C1C=O BB31-3769 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.11 NCC1=C(Br)C=CS1 BB31-6843 [0,1,0,0,0,0|1,1,1]=4 64 B8R1.11 NCC1=C(Cl)C=CS1 BB32-1217 [0,1,0,0,0,0|1,1,1]=4 65 B8R1.11 O=CC1=C(Br)NC=N1 BB32-2656 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.11 O=CC1=NNC=C1Cl BB32-3176 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.2 BrCC1=NN=CC=C1 BB31-2836 [0,0,0,0,0,1|2,0,1]=4 68 B8R1.2 COC1=NC=CC=N1 BB31-5696 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.2 NCC1=CC=NC=C1 BB32-3106 [0,0,0,0,0,1|2,0,1]=4 70 B8R1.2 NNC1=NC=CC=C1 BB52-0908 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.2 O=CC1=NC=CC=N1 BB31-5137 [0,0,0,0,0,1|1,0,0]=2 72 B8R1.2 O=CC1=NC=NC=C1 BB31-4750 [0,0,0,0,0,1|1,0,0]=2 73 B8R1.2 O=CC1=NN=CC=C1 BB52-3335 [0,0,0,0,0,1|1,0,0]=2 74 B8R1.2 OCC1=NC=NC=C1 BB32-1282 [0,0,0,0,0,1|1,0,2]=4 75 B5R0.1 O=C(O)\C=C\Br BB31-5400 [1,0,1,0,0,0|1,0,0]=3 76 B7R1.2 BrC1=CC=C(Br)[Se]1 BB31-3455 [1,1,0,0,0,0|1,1,0]=4 77 B7R1.2 CC1=COC(=S)N1 BB31-1630 [1,1,0,0,0,0|1,1,0]=4 78 B7R1.2 CC1=CSC(Br)=C1 BB32-2597 [1,1,0,0,0,0|1,1,0]=4 79 B7R1.2 ClC1=CC(Br)=CS1 BB31-4920 [1,1,0,0,0,0|1,1,0]=4 80 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [1,1,0,0,0,0|1,0,1]=4 81 B7R1.2 NC1=CC(N)=NO1 BB52-2394 [1,1,0,0,0,0|2,0,0]=4 82 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [1,1,0,0,0,0|0,0,1]=3 83 B7R1.4 BrC1=C(I)SC=C1 BB32-3301 [1,1,0,0,0,0|1,1,0]=4 84 B7R1.4 CC1=C(Br)C=NO1 BB32-3633 [1,1,0,0,0,0|1,0,1]=4 85 B7R1.4 CC1=C(C)OC=N1 BB31-4084 [1,1,0,0,0,0|1,0,1]=4 86 B7R1.4 CC1=C(I)C=NO1 BB31-6971 [1,1,0,0,0,0|1,0,1]=4 87 B7R1.4 CN1C=CNC1=O BB31-4937 [1,1,0,0,0,0|2,0,0]=4 88 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,1,0,0,1,0|0,0,2]=4 89 B9R1.1 C=CC1=CC=C(I)C=C1 BB31-4240 [0,1,0,0,0,1|2,0,0]=4 90 B9R1.1 C=CC1=CN=C(F)C=C1 BB31-0349 [0,1,0,0,0,1|2,0,0]=4 91 B9R1.1 C=CC1=NC=C(C)C=C1 BB32-1317 [0,1,0,0,0,1|2,0,0]=4 92 B9R1.1 CC1=NC=C(C=O)C=N1 BB52-2214 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.1 NC1=NC=C(C=O)C=N1 BB52-2221 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.1 O=CC1=CNC(=O)N=C1 BB31-3327 [0,1,0,0,0,1|2,0,0]=4 95 B9R1.1 O=CC1=NC=C(Br)C=N1 BB31-5037 [0,1,0,0,0,1|1,0,0]=3 96 B9R1.1 O=CC1=NN=C(Cl)C=C1 BB31-4584 [0,1,0,0,0,1|1,0,0]=3 97 B9R1.2 C=CC1=CC=CC(N)=C1 BB31-5821 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.2 C=CC1=NC(C)=CN=C1 BB31-8047 [0,1,0,0,0,1|2,0,0]=4 99 B9R1.2 C=CC1=NC=CC(Br)=C1 BB32-2820 [0,1,0,0,0,1|2,0,0]=4 100 B9R1.2 CC1=CN=CC(C=O)=N1 BB31-0483 [0,1,0,0,0,1|1,0,0]=3 101 B9R1.2 O=CC1=CC=CC(=O)N1 BB32-1723 [0,1,0,0,0,1|1,0,0]=3 102 B9R1.2 O=CC1=CN=CC(O)=C1 BB31-6018 [0,1,0,0,0,1|1,0,0]=3 103 B9R1.6 C=C(C)C1=CC=CN=C1 BB32-0833 [0,1,0,0,0,1|2,0,0]=4 104 B9R1.6 CC(=O)C1=NC=NC=C1 BB32-1309 [0,1,0,0,0,1|1,0,0]=3 105 B9R1.6 CC(=O)C1=NN=CC=C1 BB31-8246 [0,1,0,0,0,1|1,0,0]=3 106 B9R1.6 N=C(N)C1=NC=CC=N1 BB32-2375 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.6 O=C(O)C1=CSCCO1 BB51-1597 [0,1,0,0,0,1|0,0,2]=4 108 B9R1.8 N\N=C\C1=CC=CC=C1 BB32-2520 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.15 C=CC1=NC=CC=C1C BB32-1725 [0,1,0,0,0,1|2,0,0]=4 110 B9R1.15 CC1=NC=CN=C1C=O BB32-1077 [0,1,0,0,0,1|1,0,0]=3 111 B9R1.15 NC1=CC=CN=C1C=O BB31-4893 [0,1,0,0,0,1|1,0,0]=3 112 B9R1.15 NC1=NC=CN=C1C=O BB31-5072 [0,1,0,0,0,1|1,0,0]=3 113 B9R1.21 C#CC1=CC=C(C=O)S1 BB31-4087 [0,2,0,0,0,0|0,1,0]=3 114 B9R1.21 CCC1=NOC(C=O)=C1 BB32-3690 [0,2,0,0,0,0|1,0,0]=3 115 B9R1.21 N#CC1=CC=C(C#N)O1 BB31-5628 [0,2,0,0,0,0|1,0,1]=4 116 B9R1.21 N#CC1=CC=C(C=O)O1 BB32-1495 [0,2,0,0,0,0|0,0,0]=2 117 B9R1.21 O=CC1=CC=C(C=O)N1 BB32-1975 [0,2,0,0,0,0|1,0,0]=3 118 B9R1.22 CC1=NC(C=O)=C(C)N1 BB31-4684 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.22 NC1=NC(Cl)=C(C=O)S1 BB52-1748 [0,2,0,0,0,0|1,1,0]=4 120 B9R1.23 CN1C=C(C=O)SC1=O BB55-8422 [0,2,0,0,0,0|1,1,0]=4 121 B9R1.35 CC(=O)C1=CC(Br)=NO1 BB31-6992 [0,2,0,0,0,0|1,0,0]=3 122 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [0,2,0,0,0,0|0,0,0]=2 123 B9R1.35 CC(=O)C1=CN=C(C)S1 BB32-2648 [0,2,0,0,0,0|1,1,0]=4 124 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.35 CC(=O)C1=CSC(Br)=C1 BB32-3092 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.35 CC(=O)C1=NC(Br)=CS1 BB31-4111 [0,2,0,0,0,0|1,1,0]=4 127 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BB17-0710 [0,2,0,0,0,0|1,0,0]=3 128 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [0,2,0,0,0,0|1,0,0]=3 129 B9R1.35 CC1=NC(C(=O)O)=CO1 BB52-2189 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.35 CC1=NC(C(N)=O)=CS1 BB32-1502 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [0,2,0,0,0,0|1,0,0]=3 132 B9R1.35 NC(=O)C1=CC=C(Cl)S1 BB31-7647 [0,2,0,0,0,0|0,1,0]=3 133 B9R1.35 NC(=O)C1=COC(Cl)=N1 BB31-0325 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.35 NC(=O)C1=CSC(Br)=C1 BB31-4076 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.35 NC(=O)C1=NC=C(Br)N1 BB31-3598 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.35 O=C(O)C1=CC(Br)=CN1 BB52-8147 [0,2,0,0,0,0|1,0,0]=3 137 B9R1.35 O=C(O)C1=CC(O)=NO1 BB52-3965 [0,2,0,0,0,0|1,0,0]=3 138 B9R1.35 O=C(O)C1=CC=C(F)S1 BB31-4908 [0,2,0,0,0,0|0,1,0]=3 139 B9R1.35 O=C(O)C1=CN=C(Cl)O1 BB31-2956 [0,2,0,0,0,0|1,0,0]=3 140 B9R1.35 O=C(O)C1=COC(Br)=N1 BB31-0470 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.35 O=C(O)C1=NC=C(Br)N1 BB31-1468 [0,2,0,0,0,0|2,0,0]=4 142 B9R1.35 O=C1C=C(C(=O)O)NN1 BB52-5683 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 BB31-5669 [0,2,0,0,0,0|1,0,0]=3 144 B9R1.132 CN1C(Br)=CN=C1C=O BB31-7007 [0,2,0,0,0,0|2,0,0]=4 145 B9R1.11 COC(=O)C1=NC=CO1 BB32-1812 [0,2,0,0,0,0|1,0,0]=3 146 B9R1.11 COC(=O)C1=NOC=C1 BB32-1155 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.11 O=CC(=O)C1=CC=CO1 BB31-8251 [0,2,0,0,0,0|0,0,0]=2 148 B9R1.41 CC(=O)C1=CNC=C1C BB31-4047 [0,2,0,0,0,0|2,0,0]=4 149 B9R1.41 CC1=C(C(=O)O)ON=C1 BB31-4383 [0,2,0,0,0,0|1,0,0]=3 150 B9R1.41 NC(=O)C1=C(Br)C=CS1 BB31-6931 [0,2,0,0,0,0|0,1,0]=3 151 B9R1.41 NC(=O)C1=C(N)SC=C1 BB52-8541 [0,2,0,0,0,0|2,0,0]=4 152 B9R1.41 NC(=O)C1=CC=CN1N BB31-3190 [0,2,0,0,0,0|1,0,0]=3 153 B9R1.41 NC1=C(C(=O)O)C=CS1 BB32-3009 [0,2,0,0,0,0|2,0,0]=4 154 B9R1.41 O=C(O)C1=C(Br)C=CN1 BB31-2563 [0,2,0,0,0,0|1,0,0]=3 155 B9R1.41 O=C(O)C1=C(Br)OC=C1 BB31-3871 [0,2,0,0,0,0|2,0,0]=4 156 B9R1.13 CC(=O)NC1=CC=NN1 BB52-7769 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.13 CC(=O)NC1=NC=CN1 BB52-6106 [0,2,0,0,0,0|2,0,0]=4 158 B9R1.13 CN(C)C=C1C=CC=C1 BB31-7355 [0,2,0,0,0,0|2,0,0]=4 159 B9R1.13 O=C(O)CC1=NC=CS1 BB31-4063 [0,2,0,0,0,0|1,1,0]=4 160 B9R1.13 O=C(O)CC1=NNC=C1 BB31-0343 [0,2,0,0,0,0|2,0,0]=4 161 B9R1.13 O=C(O)CN1C=CC=N1 BB52-7773 [0,2,0,0,0,0|2,0,0]=4 162 B9R1.14 CCN1C=CN=C1C=O BB52-0220 [0,2,0,0,0,0|2,0,0]=4 163 B9R1.14 COC1=C(C=O)OC=C1 BB32-1842 [0,2,0,0,0,0|0,0,0]=2 164 B9R1.27 CN1N=CC(I)=C1C=O BB31-7171 [0,2,0,0,0,0|2,0,0]=4