0 B7R1.3 CC1=CC=NC=N1 BB17-0193 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [0,1,0,0,0,0|1,0,2]=4 2 B9R1.1 CCC1=CN=C(O)N=C1 BB12-3538 [0,1,0,0,0,0|3,0,0]=4 3 B9R1.1 ClCC1=CC=C(Cl)N=C1 BB12-1167 [0,1,0,0,0,0|2,0,0]=3 4 B9R1.1 N#CC1=CC=C(N)C=N1 BB01-7921 [0,1,0,0,0,0|2,0,1]=4 5 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [0,1,0,0,0,0|1,0,0]=2 6 B9R1.1 NNC1=CC=C(I)C=C1 BB56-2534 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.1 NNC1=CN=C(Cl)C=C1 BB12-1208 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.1 NNC1=NC=C(F)C=C1 BB12-1190 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.1 [C-]#[N+]C1=CC=C(Br)C=C1 BB56-0563 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.1 [C-]#[N+]C1=CC=C(Cl)C=C1 BB56-1817 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.1 [C-]#[N+]C1=CC=C(F)C=C1 BB56-1216 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.2 CCC1=CC=NC(N)=N1 BB12-3720 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.2 CCC1=CC=NC(O)=N1 BB12-3719 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.2 NC1=NC(CO)=CC=N1 BB12-1255 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.2 NCC1=CC=NC(N)=N1 BB12-1254 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.2 NNC1=CC(Br)=CC=C1 BB56-0176 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.2 NNC1=CC=CC(Cl)=C1 BB56-0328 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.2 NNC1=CC=CC(F)=C1 BB56-0065 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.2 [C-]#[N+]C1=CC=CC(Cl)=C1 BB56-1196 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.6 NC(=S)C1=CC=NC=C1 BB12-3482 [0,1,0,0,0,0|1,1,1]=4 25 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [0,1,0,0,0,0|1,1,1]=4 26 B9R1.6 OB(O)C1=CN=CN=C1 BB01-0942 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.8 O=C=NC1=CC=NC=C1 BB01-6559 [0,1,0,0,0,0|1,0,2]=4 29 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.15 CNC1=CC=CN=C1N BB12-1643 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.15 CNC1=NC=CC=C1Cl BB12-1745 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.15 COC1=CC=CN=C1C BB17-0165 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.15 N#CC1=CC=CN=C1N BB17-0160 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.15 NCC1=CC=CN=C1N BB12-1525 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.15 NNC1=CC=CC=C1I BB56-0829 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.15 NNC1=CC=CN=C1Cl BB10-0530 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.15 O=CC1=CC=CN=C1Br BB56-0225 [0,1,0,0,0,0|1,0,2]=4 41 B9R1.15 OCC1=CC=CN=C1Cl BB12-3681 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.15 [C-]#[N+]C1=C(I)C=CC=C1 BB56-0362 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 CCC1=CNN=C1 BB12-3535 [0,0,0,0,1,0|3,0,0]=4 44 B7R1.1 CCC1=NNC=C1 BB12-3522 [0,0,0,0,1,0|3,0,0]=4 45 B7R1.1 NCC1=CC=NN1 BB01-4712 [0,0,0,0,1,0|3,0,0]=4 46 B7R1.1 NCC1=NC=CN1 BB12-2726 [0,0,0,0,1,0|3,0,0]=4 47 B7R1.1 OCC1=COC=C1 BB12-2281 [0,0,0,0,1,0|1,0,0]=2 48 B8R1.3 CC1=CN=C(C)N=C1 BB17-2149 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.3 CC1=CN=C(N)N=C1 BB12-3537 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.3 CC1=CN=C(O)N=C1 BB12-3539 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.3 FC1=CN=C(Cl)C=C1 BB12-1175 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.3 NC1=CN=C(Br)C=C1 BB20-4619 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.3 OC1=CC=C(Cl)N=N1 BB01-7649 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.3 OC1=NC=C(Br)C=N1 BB20-3334 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.4 CC1=CC=NC(O)=N1 BB12-3694 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.4 CC1=CC=NC(S)=N1 BB12-1615 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.4 NC1=NC(Br)=CC=C1 BB20-4632 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.4 [O-][N+]1=CC(Br)=CC=C1 BB20-3070 [1,1,0,0,0,0|1,0,1]=4 59 B8R1.5 CC1=NC=CC=C1O BB17-0195 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.5 NC1=C(O)N=CC=C1 BB12-2900 [1,1,0,0,0,0|1,0,0]=3 61 B8R1.5 OC1=CC=CN=C1Br BB12-1811 [1,1,0,0,0,0|1,0,0]=3 62 B8R1.1 CC1=CSC(CO)=N1 BB12-3372 [0,1,0,0,1,0|2,0,0]=4 63 B8R1.1 OCC1=CC=C(Br)O1 BB90-0114 [0,1,0,0,1,0|1,0,0]=3 64 B8R1.7 OB(O)C1=CC=CO1 BB56-0777 [0,1,0,0,1,0|2,0,0]=4 65 B8R1.8 N#CCC1=CSC=C1 BB20-4629 [0,1,0,0,1,0|2,0,0]=4 66 B8R1.8 NCCC1=CC=CO1 BB01-5388 [0,1,0,0,1,0|2,0,0]=4 67 B8R1.11 CC1=C(CN)SC=C1 BB12-1657 [0,1,0,0,1,0|2,0,0]=4 68 B8R1.11 CC1=C(CO)C=CO1 BB90-0116 [0,1,0,0,1,0|1,0,0]=3 69 B8R1.11 CN1C=CC=C1CO BB90-0093 [0,1,0,0,1,0|1,0,0]=3 70 B10R1.1 CNCC1=CC=C(Cl)N=C1 BB53-1663 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.1 CSCC1=CC=C(Cl)N=C1 BB53-1554 [0,2,0,0,0,0|1,1,0]=4 73 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.1 O\N=C\C1=CC=C(F)C=C1 BB12-1509 [0,2,0,0,0,0|0,0,1]=3 75 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.3 CCC1=CC=C(NN)C=C1 BB56-0994 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.3 COC1=CC=C(NN)C=C1 BB56-2536 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.3 N#CC1=CC=C(NN)C=C1 BB56-0995 [0,2,0,0,0,0|1,0,1]=4 79 B10R1.3 NCC1=CC=C(CO)C=C1 BB12-1471 [0,2,0,0,0,0|0,0,0]=2 80 B10R1.3 [C-]#[N+]C1=CC=C(C#N)C=C1 BB56-0562 [0,2,0,0,0,0|1,0,1]=4 81 B10R1.3 [C-]#[N+]C1=CC=C(CC)C=C1 BB56-1198 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [0,2,0,0,0,0|0,0,2]=4 83 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [0,2,0,0,0,0|0,0,0]=2 84 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [0,2,0,0,0,0|1,0,1]=4 85 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [0,2,0,0,0,0|1,0,1]=4 86 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [0,2,0,0,0,0|1,0,1]=4 87 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [0,2,0,0,0,0|1,0,1]=4 88 B10R1.25 CC1=CC(Cl)=CC=C1NN BB56-0333 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.25 CC1=CC=C(NN)C(Br)=C1 BB56-0056 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.25 CC1=CC=C(NN)C(C)=C1 BB56-2530 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.25 CNC1=C(C)C=C(Cl)C=C1 BB01-7288 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.25 NCC1=CC=C(Br)C=C1F BB12-2272 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.25 NCC1=CC=C(O)C=C1O BB12-1397 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.25 NNC1=C(Br)C=C(Br)C=C1 BB56-0327 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.25 NNC1=CC=C(Br)C=C1Cl BB56-0788 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.25 NNC1=CC=C(Br)C=C1F BB56-0790 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.25 NNC1=CC=C(F)C=C1F BB56-2483 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 BB56-1846 [0,2,0,0,0,0|0,0,2]=4 99 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 BB56-1915 [0,2,0,0,0,0|0,0,2]=4 100 B10R1.25 O=CC1=C(O)C=C(F)C=C1 BB20-3279 [0,2,0,0,0,0|0,0,2]=4 101 B10R1.25 [C-]#[N+]C1=C(C)C=C(Br)C=C1 BB56-1773 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.25 [C-]#[N+]C1=C(C)C=C(Cl)C=C1 BB56-1818 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.25 [C-]#[N+]C1=C(F)C=C(Cl)C=C1 BB56-1763 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.25 [C-]#[N+]C1=CC=C(Cl)C=C1Cl BB56-1213 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.25 [C-]#[N+]C1=CC=C(F)C=C1F BB56-1681 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 BB12-1260 [0,2,0,0,0,0|0,0,2]=4 107 B10R1.176 CC1=C(F)C=C(C=O)C=C1 BB12-2251 [0,2,0,0,0,0|0,0,2]=4 108 B10R1.176 CC1=CC(NN)=CC=C1Br BB56-0331 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.176 CC1=CC=C(NN)C=C1C BB56-2531 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.176 CC1=CC=C(NN)C=C1Cl BB56-0335 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.176 N#CC1=CC(N)=C(Cl)C=C1 BB20-4655 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.176 NNC1=CC=C(Cl)C(Cl)=C1 BB56-0055 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.176 O=C1C=C(CCl)OC=C1O BB26-0808 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.176 O=CC1=CC(I)=C(O)C=C1 BB17-2246 [0,2,0,0,0,0|0,0,2]=4 115 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BB12-4694 [0,2,0,0,0,0|0,0,2]=4 116 B10R1.176 [C-]#[N+]C1=CC(Cl)=C(Cl)C=C1 BB56-1212 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.176 [C-]#[N+]C1=CC=C(C)C(C)=C1 BB56-1194 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.176 [C-]#[N+]C1=CC=C(C)C(Cl)=C1 BB56-1210 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.2 CC1=C(C)C(NN)=CC=C1 BB56-2527 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.2 COC1=C(C)C(C)=CC=C1 BB12-4726 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.2 NNC1=CC=CC(Cl)=C1Cl BB56-0063 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.2 [C-]#[N+]C1=CC=CC(Cl)=C1Cl BB56-1211 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.8 CC1=CC(C)=CC(NN)=C1 BB56-0332 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.8 [C-]#[N+]C1=CC(C)=CC(C)=C1 BB56-1197 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.10 CC1=CC(\C=N\O)=CC=C1 BB20-3238 [0,2,0,0,0,0|0,0,1]=3 126 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [0,2,0,0,0,0|1,0,0]=3 127 B10R1.30 CC1=C(NN)C=C(F)C=C1 BB56-2635 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.30 CC1=CC=C(C)C(NN)=C1 BB56-2533 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.30 CC1=CC=C(Cl)C=C1NN BB56-0049 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.30 CC1=CC=C(F)C(NN)=C1 BB56-2743 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.30 CC1=CC=C(O)C(CO)=N1 BB12-2201 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.30 CCC1=C(N)C=CC(I)=C1 BB17-0313 [0,2,0,0,0,0|1,0,0]=3 133 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 BB01-7292 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.30 CNC1=C(Cl)C=CC(F)=C1 BB01-7287 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB17-1585 [0,2,0,0,0,0|0,0,2]=4 136 B10R1.30 O=CC1=CC(I)=CC=C1O BB12-2260 [0,2,0,0,0,0|0,0,2]=4 137 B10R1.30 [C-]#[N+]C1=C(C)C=CC(Cl)=C1 BB56-1772 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.30 [C-]#[N+]C1=CC(Cl)=CC=C1Cl BB56-1201 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.113 NC1=CC=CC(B(O)O)=C1 BB12-2221 [0,2,0,0,0,0|1,0,0]=3 141 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB17-0499 [0,2,0,0,0,0|1,0,1]=4 142 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [0,2,0,0,0,0|0,0,1]=3 143 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [0,2,0,0,0,0|1,0,0]=3 145 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [0,2,0,0,0,0|1,0,1]=4 146 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [0,2,0,0,0,0|0,0,1]=3 147 B10R1.15 N=C(NO)C1=CC=CN=C1 BB20-3167 [0,2,0,0,0,0|1,0,1]=4 148 B10R1.15 N=C(NO)C1=CC=NC=C1 BB20-3168 [0,2,0,0,0,0|1,0,1]=4 149 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [0,2,0,0,0,0|0,0,0]=2 150 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,2,0,0,0,0|1,0,0]=3 151 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,2,0,0,0,0|0,0,2]=4 152 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BB12-3473 [0,2,0,0,0,0|1,0,1]=4 153 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [0,2,0,0,0,0|1,0,1]=4 154 B10R1.15 [C-]#[N+]C(C)C1=CC=NC=C1 BB56-1680 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB12-1582 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.61 NC1=C(C(=O)O)C=CN=C1 BB12-1728 [0,2,0,0,0,0|1,0,1]=4 157 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [0,2,0,0,0,0|1,0,0]=3 158 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [0,2,0,0,0,0|1,0,0]=3 159 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [0,2,0,0,0,0|1,0,0]=3 160 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.17 N#CNCC1=CN=CC=C1 BB12-1080 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [0,2,0,0,0,0|1,0,0]=3 163 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.20 CCC1=CC=CC=C1NN BB56-0047 [0,2,0,0,0,0|1,0,0]=3 165 B10R1.20 COC1=CC=CC=C1NN BB56-0061 [0,2,0,0,0,0|2,0,0]=4 166 B10R1.20 COC1=NC=CC=C1CN BB53-1722 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.20 CSC1=CC=CC=C1NN BB56-0754 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.20 [C-]#[N+]C1=C(CC)C=CC=C1 BB56-1771 [0,2,0,0,0,0|1,0,0]=3 169 B10R1.20 [C-]#[N+]C1=CC=CC=C1C#N BB56-1769 [0,2,0,0,0,0|1,0,1]=4 170 B10R1.20 [C-]#[N+]C1=CC=CC=C1OC BB56-1195 [0,2,0,0,0,0|2,0,0]=4 171 B10R1.245 CC1=CC=CC(C)=C1NN BB56-0064 [0,2,0,0,0,0|2,0,0]=4 172 B10R1.245 N#CC1=C(O)C=CC=C1F BB12-1060 [0,2,0,0,0,0|1,0,1]=4 173 B10R1.245 NNC1=C(Cl)C=CC=C1Cl BB56-2529 [0,2,0,0,0,0|2,0,0]=4 174 B10R1.245 [C-]#[N+]C1=C(C)C=CC=C1C BB56-1199 [0,2,0,0,0,0|2,0,0]=4 175 B10R1.245 [C-]#[N+]C1=C(Cl)C=CC=C1Cl BB56-0003 [0,2,0,0,0,0|2,0,0]=4 176 B10R2.7 C1=CC2=C(C=C1)NN=N2 BB01-6327 [0,1,0,1,0,0|2,0,0]=4 177 B6R1.2 CC1=CC=NN1 BB56-1939 [1,0,0,0,1,0|2,0,0]=4 178 B6R1.2 CC1=NC=CS1 BB20-4630 [1,0,0,0,1,0|2,0,0]=4