0 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 BB54-5278 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.77 COC(=O)C1=CC=CC=C1CBr BB57-2114 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.77 COC1=CC=CC=C1C(N)CO BB56-2225 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.77 COC1=NC=CC=C1C(=N)NO BB12-3913 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.41 CCOC1=C(NC)C=CC=C1 BB01-7289 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.41 COC1=C(\C=N\O)C=CC=C1 BB20-3227 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.41 COC1=CC=CC=C1N=C=S BB54-2696 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.53 CNC1=CC=CC=C1[N+](=O)[O-] BB12-2791 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.53 CNC1=NC=CC=C1C(=O)O BB12-3552 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 BB54-0830 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.53 COC1=CC=CC=C1C(C)N BB58-0606 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.53 CSC1=C(C(=O)Cl)C=CC=N1 BB01-5649 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 BB12-1453 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.53 NCC1=CC=CC=C1C(=O)O BB54-2018 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.53 NNC1=CC=CC=C1C(=O)O BB12-2554 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.53 O=[IH2]C1=CC=CC=C1C(=O)O BB58-3100 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 BB12-3478 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.222 CCC(N)C1=CC=CC=C1C BB58-0612 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.222 CNC(=O)C1=CC=CN=C1Cl BB57-1154 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.222 COC(=N)C1=CC=CNC1=O BB53-1629 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.222 COC(=O)C1=C(O)N=CN=C1 BB12-4463 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.222 COC(=O)C1=C(S)C=CC=C1 BB12-1508 [1,0,0,0,0,0|0,1,0]=2 22 B11R1.222 COC(=O)C1=NC=CC=C1O BB17-0205 [1,0,0,0,0,0|1,0,0]=2 23 B13R1.107 COC1=C(C(=O)NN)C=CC=C1C BB55-4809 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.382 CCOC1=C(C(=O)NN)C=CC=C1 BB12-2785 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.464 CCOC(=O)C1=CC=CN=C1NN BB57-2450 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.547 CCC(=O)C1=CC=CC=C1C(=O)O BB57-6520 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.2209 COC1=CC=C(Br)C=C1C(=O)NN BB12-2558 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1C BB57-2069 [0,1,0,0,0,0|0,0,0]=1 29 B13R2.32 NN1CNC2=CC=CC=C2C1=O BB17-1096 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.371 CC1=NNC(=O)C2=CC=CC=C21 BB50-0373 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 BB12-1449 [0,0,0,1,0,0|3,0,0]=4 32 B11R1.59 CCC1=C(C(=O)OC)NC=N1 BB01-3627 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.59 COC(=O)C1=C(C#N)SC=C1 BB01-3406 [0,0,0,0,1,0|3,0,0]=4 34 B13R1.91 COC1=C(C\C(N)=N\O)C=CC=C1 BB01-3929 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.20 COC1=CC=CC=C1NN BB01-6123 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.20 COC1=CC=CC=C1NN BB56-0061 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.20 [C-]#[N+]C1=CC=CC=C1OC BB56-1195 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.61 CC1=C(C(=O)O)C=NC=C1 BB54-3738 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.61 CC1=CC=CC=C1C(C)N BB58-0605 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.61 CC1=NC=NC=C1C(=O)O BB55-6949 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.61 NC(=O)C1=CC=CC=C1O BB01-7441 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.61 NC1=C(C(=O)O)C=CN=C1 BB12-1728 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.61 NC1=C(C(=O)O)C=NC=C1 BB54-5043 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.61 O=C(O)C1=CC=NC=C1Br BB54-2936 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.61 O=C(O)C1=NC=CN=C1O BB54-4457 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB54-0791 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.15 COC(=O)C1=NC=CN=C1 BB01-2777 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 BB12-5051 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.121 COC1=CC=CC=C1OCCN BB05-3184 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.169 CCNC1=C(OCC)C=CC=C1 BB01-8201 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=C1 BB17-0434 [1,1,0,0,0,0|0,0,0]=2 56 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 BB54-3708 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.46 COC1=C(C(N)=O)C=C(Cl)C=C1 BB17-0436 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.46 COC1=C(C(N)=O)C=C(N)C=C1 BB53-1550 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.46 COC1=CC=C(Br)C=C1C(=O)O BB05-2627 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.46 COC1=CC=C(Br)C=C1C(N)=O BB57-1175 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.46 COC1=CC=C(F)C=C1C(C)=O BB54-4582 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.87 COC1=C(C(=O)O)C=CC=C1C BB57-6569 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.87 COC1=C(C(C)=O)C=CC=C1Cl BB54-3707 [1,1,0,0,0,0|0,0,0]=2 64 B12R1.87 COC1=C(C(N)=O)C=CC=C1C BB17-0496 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.87 COC1=C([N+](=O)[O-])C=CC=C1Cl BB57-4637 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.261 CC(=O)C1=CC=CN=C1N(C)C BB57-4156 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.261 CN(C)C1=NC=CC=C1C(=O)O BB12-3630 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 BB12-4373 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.354 CC1=CC=C(O)C(C(=O)CCl)=C1 BB57-4973 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.354 COC(=O)C1=C(Br)C=NC(N)=C1 BB01-3759 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.354 COC(=O)C1=CC(N)=CC=C1Cl BB54-1163 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 BB12-2571 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 BB12-2254 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 BB17-0727 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.1703 COC(=O)C1=C(C)N=C(N)N=C1 BB53-1398 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.1703 COC(=O)C1=C(O)N=C(C)N=C1 BB12-4464 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.1703 NNC(=O)C1=C(O)C=C(O)C=C1 BB12-2197 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.483 CCOC1=CC=CC=C1NC(=O)CBr BB17-0233 [0,1,0,0,0,1|2,0,0]=4 79 B14R1.965 COC1=C(NC(=O)\C=N\O)C=CC=C1 BB12-1533 [0,1,0,0,0,1|2,0,0]=4 80 B14R1.965 COC1=CC=CC=C1NC(=O)CC#N BB10-0020 [0,1,0,0,0,1|1,0,1]=4 81 B14R1.3279 COC1=CC=C(C)C=C1NC(=O)CBr BB17-0237 [0,1,0,0,0,1|2,0,0]=4 82 B14R1.3417 COC(=O)NC1=C(OC)C=C(N)C=C1 BB57-7001 [0,1,0,0,0,1|0,0,0]=2 83 B14R1.744 COC(=O)C1=C(NC(C)=O)C=CC=C1 BB17-2627 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.746 CO[13C](=O)C1=CC=CC=C1[13C](=O)OC BB54-5662 [0,2,0,0,0,0|0,0,0]=2 85 B14R1.5122 COC(=O)C1=CC=C(C)C=C1N=C=O BB01-6558 [0,2,0,0,0,0|1,0,1]=4 86 B14R1.5238 COC(=O)C1=CC(Cl)=CC=C1N=C=S BB90-0099 [0,2,0,0,0,0|1,0,1]=4 87 B14R1.599 COC1=CC=C(Br)C=C1C(=O)CC#N BB54-4760 [0,2,0,0,0,0|1,0,1]=4 88 B14R1.2334 COC(=O)C1=C(OC)C=C(C#N)C=C1 BB32-2027 [0,2,0,0,0,0|0,0,0]=2 89 B14R1.2334 COC1=CC=C(C(=O)NN)C(OC)=C1 BB17-0305 [0,2,0,0,0,0|2,0,0]=4 90 B12R2.1 O\N=C1/COC2=CC=CC=C21 BB12-2095 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.41 C1=CC2=C(C=C1)OCCCO2 BB53-1823 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.315 COC1=CC=CC2=C1C=CN2 BB01-7869 [1,0,0,1,0,0|2,0,0]=4 93 B14R2.95 CCC(=O)N1CCC2=CC=CC=C21 BB01-6290 [0,0,0,1,0,1|2,0,0]=4 94 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 BB01-7407 [0,0,0,1,0,1|1,0,1]=4 95 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 BB56-1907 [0,0,0,1,0,1|2,0,0]=4 96 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O BB55-8698 [0,0,0,1,0,1|2,0,0]=4 97 B14R2.11684 COC1=CC=CC2=C1NC(=O)C=C2 BB58-1215 [0,0,0,1,0,1|1,0,1]=4 98 B14R2.5637 O=C1NCCOC2=CC=C(Br)C=C12 BB20-3067 [0,1,0,1,0,0|1,0,0]=3 99 B10R1.149 COC(=O)C1=C(Br)C=CS1 BB20-4653 [1,0,0,0,1,0|2,0,0]=4 100 B10R1.149 COC(=O)C1=C(C)N=CN1 BB12-3127 [1,0,0,0,1,0|2,0,0]=4 101 B10R1.149 COC(=O)C1=C(N)SC=C1 BB55-1539 [1,0,0,0,1,0|2,0,0]=4 102 B10R1.149 COC(=O)C1=CC=NN1C BB58-0460 [1,0,0,0,1,0|2,0,0]=4 103 B10R1.149 COC(=O)C1=CSN=C1C BB12-1733 [1,0,0,0,1,0|2,0,0]=4 104 B10R1.149 COC(=O)C1=NNC=C1C BB32-3773 [1,0,0,0,1,0|2,0,0]=4 105 B14R1.863 COC1=CC=CC=C1NCC(=O)NN BB12-3079 [0,0,0,0,0,2|2,0,0]=4