0 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 BB12-1599 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 BB53-1358 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 BB12-2672 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB56-2538 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 BB12-3514 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 OCC1=CC=C(B(O)O)C=C1 BB12-2258 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.3 CCC1=CC=C(NN)C=C1 BB56-0994 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.3 COC1=CC=C(NN)C=C1 BB56-2536 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.3 NCC1=CC=C(CO)C=C1 BB12-1471 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.3 [C-]#[N+]C1=CC=C(CC)C=C1 BB56-1198 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB12-2030 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.5 CCC1=CC=C(C(=O)NN)N=C1 BB17-2220 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 BB12-3362 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 BB12-3364 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 BB12-2994 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB26-0170 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.5 CSC1=CC=C(C(N)CO)C=C1 BB56-2165 [0,1,0,0,0,0|1,1,1]=4 23 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 BB12-2652 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.6 CSC1=CC=C(S(=O)(=O)Cl)C=C1 BB56-2219 [0,1,0,0,0,0|1,1,1]=4 25 B12R1.48 CNC1=CC=C([N+](=O)[O-])C=C1N BB12-0977 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.48 CNC1=CC=C([N+](=O)[O-])C=C1N BB53-1389 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 BB53-1298 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 BB53-1497 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 BB12-0014 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.48 COC1=CNC(C(=O)O)=CC1=O BB26-0368 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.48 COC1=COC(C(=O)O)=CC1=O BB26-0367 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 BB01-6587 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.113 CC(=O)C1=CC=C(N=C=S)C=C1 BB53-1311 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 BB12-2998 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.256 CN(C)C1=CC=C([N+](=O)[O-])C=C1 BB17-0745 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 BB12-3628 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.31 CCC1=CC(C(=O)O)=NN1 BB56-2146 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.31 CCC1=NC(C(=O)O)=CO1 BB12-3563 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.31 CCC1=NC(C(=O)O)=CS1 BB12-3311 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.83 [C-]#[N+]C1=CC=C(OCC)C=C1 BB56-1768 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 BB56-2858 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.279 COC1=C(Cl)C=C(NN)C=C1 BB56-0919 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.279 COC1=C(I)C=C(C=O)C=C1 BB17-1449 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.279 COC1=CNC(CO)=CC1=O BB26-0375 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.279 COC1=COC(CO)=CC1=O BB26-0372 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.279 [C-]#[N+]C1=CC(Cl)=C(OC)C=C1 BB56-1215 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 BB12-2899 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 BB17-0720 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 BB12-4696 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 BB12-2577 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB12-1843 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.22 COC(=O)C1=CC=C(O)C=N1 BB56-2624 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 BB12-2695 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 BB17-2382 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BB01-6328 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BB53-4155 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 BB20-3112 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 BB01-6260 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 BB12-2243 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.166 NC1=C(C(=O)O)C=NC(O)=N1 BB12-4164 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.166 NC1=CC(Br)=C(C(=O)O)C=C1 BB17-0728 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 BB20-4599 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 BB12-2552 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 BB12-2178 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl BB12-2212 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.124 COCC1=CC=C(C(=O)O)O1 BB53-1836 [0,1,0,0,1,0|1,0,0]=3 73 B13R1.5 CCC1=CC=C(NC(=O)CBr)C=C1 BB17-0234 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.5 COC1=CC=C(C\C(N)=N\O)C=C1 BB01-3934 [0,1,0,0,0,1|1,0,0]=3 75 B13R1.35 COC1=CC=C(CC(=O)O)C=C1C BB56-0509 [0,1,0,0,0,1|0,0,0]=2 76 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 BB56-0235 [0,1,0,0,0,1|1,0,0]=3 77 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 BB56-0264 [0,1,0,0,0,1|0,0,0]=2 78 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 BB56-0269 [0,1,0,0,0,1|0,1,0]=3 79 B13R1.142 CCOC1=CC=C(CC(=O)O)C=C1 BB56-0010 [0,1,0,0,0,1|0,0,0]=2 80 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 BB12-1266 [0,1,0,0,0,1|2,0,0]=4 81 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 BB12-4738 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 BB56-1063 [0,1,0,0,0,1|0,0,0]=2 83 B13R1.39 COC1=CC=C(\C(C#N)=C/[O-])C=C1 BB10-0859 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.139 CCOC1=CC=C(C(N)CO)C=C1 BB56-2098 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.139 CNCC1=CC=C(C(=O)NC)C=C1 BB12-2997 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.139 COC(=O)C1=CC=C(N=C=S)C=C1 BB53-1306 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.452 CCOC(=O)C1=CC=C(CCl)C=C1 BB12-2992 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.537 CN(C)C1=CC=C(\C(N)=N\O)C=C1 BB01-3936 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.537 N\C(=N/O)C1=CC=C(C(=O)O)C=C1 BB12-3479 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.3088 COC1=C(Cl)C=C(C(N)CO)C=C1 BB56-2222 [0,2,0,0,0,0|1,0,1]=4 91 B13R1.38 COC1=CC=C(S(=O)(=O)Cl)C=C1F BB56-2212 [0,2,0,0,0,0|1,0,1]=4 92 B13R1.120 CN(C)C1=C(N)C=C(C(=O)O)C=C1 BB12-4764 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.144 CCOC1=C(Br)C=C(C(=O)O)C=C1 BB17-0477 [0,2,0,0,0,0|0,0,0]=2 94 B13R1.144 CCOC1=C(Cl)C=C(C(N)=O)C=C1 BB17-0480 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.144 CCOC1=C(F)C=C(C(C)=O)C=C1 BB53-1297 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.652 COC1=CN(C)C(C(=O)O)=CC1=O BB26-0366 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.3091 COC1=C(C#N)C=C([N+](=O)[O-])C=C1 BB12-0213 [0,2,0,0,0,0|1,0,1]=4 98 B13R1.3380 COC1=C(Br)C=C(C(=O)O)C=C1N BB17-0385 [0,2,0,0,0,0|0,0,0]=2 99 B13R1.3380 COC1=C(Cl)C=C(C(=O)O)C=C1Cl BB17-0481 [0,2,0,0,0,0|0,0,0]=2 100 B13R1.3380 COC1=C(Cl)C=C(C(N)=O)C=C1Cl BB17-0482 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.74 CCCOC1=CC=C(C(N)=O)C=C1 BB17-0472 [0,2,0,0,0,0|1,0,0]=3 102 B13R1.74 N#CCOC1=CC=C([N+](=O)[O-])C=C1 BB12-1852 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.159 CN1C=CC=C(C(=O)O)C1=O BB12-3383 [0,0,1,1,0,0|2,0,0]=4 104 B13R2.2121 CCC1=CC=C2NC(=O)CC2=C1 BB17-0213 [0,0,0,1,0,1|2,0,0]=4 105 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 BB12-1347 [0,0,0,1,0,1|1,1,0]=4 106 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 BB12-2913 [0,1,0,1,0,0|0,0,0]=2 107 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 BB01-2605 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 BB12-2808 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [1,0,0,0,1,0|2,0,0]=4 110 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [1,0,0,0,1,0|2,0,0]=4 111 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [1,0,0,0,0,1|1,0,0]=3 112 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [1,0,0,0,0,1|2,0,0]=4 113 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [1,0,0,0,0,1|1,1,0]=4 114 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [1,0,0,0,0,1|1,0,0]=3 115 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 BB12-2280 [0,0,0,0,1,1|1,0,0]=3 116 B13R1.3 CCC1=CC=C(OCC(N)=O)C=C1 BB17-0399 [0,0,0,0,0,2|2,0,0]=4 117 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BB56-1280 [0,0,0,0,0,2|2,0,0]=4