0 B10R1.39 CCC1=C(C(=O)O)NC=N1 BB90-0012 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.39 CCC1=NNC=C1C(=O)O BB57-2172 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.39 CCN1N=CC=C1B(O)O BB05-1020 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.39 CCN1N=CC=C1C(=O)Cl BB55-3860 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.39 CCN1N=CC=C1C(C)=O BB55-6588 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.39 CCN1N=CC=C1[N+](=O)[O-] BB58-2099 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.39 CCN1N=CN=C1C(C)N BB54-4944 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.14 CCN1C=CC=C1C[O-] BB58-0492 [1,0,0,0,0,0|0,0,2]=3 8 B9R1.14 CCN1C=CN=C1C=O BB05-4789 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.14 CCN1C=CN=C1CN BB55-8234 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.14 CCN1N=CC=C1C=O BB57-2166 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.14 CCN1N=CC=C1CCl BB05-4141 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.14 CCN1N=CC=C1CCl BB57-3435 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.14 CCN1N=CC=C1CN BB05-4017 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.14 CCN1N=CC=C1CO BB05-3803 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.14 CCN1N=CC=C1CO BB57-2167 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.41 CC(=O)C1=C(C)N=CS1 BB57-3729 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.41 CC(=O)C1=C(C)NN=C1 BB54-5351 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.41 CC(=O)C1=CC=NN1C BB57-0010 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.41 CC(=O)C1=NC=CN1C BB58-3607 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.41 CC(=O)C1=NC=NN1C BB54-4941 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.41 CC(N)C1=CC=NN1C BB57-3100 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.41 CC1=C(C(=O)O)C=CN1 BB57-2151 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.41 CN1C=NN=C1C(=O)[O-] BB58-0798 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.41 CN1N=CC=C1C(=O)Cl BB05-0927 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.41 CN1N=CC=C1C(=O)Cl BB55-4535 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.41 CN1N=CC=C1C(N)=O BB05-2051 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.41 CN1N=CC=C1C(N)=O BB57-1547 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.41 CN1N=CC=C1[N+](=O)[O-] BB54-5162 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.49 CCN1C=C(C)N=C1C(=O)O BB58-4989 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.49 CCN1N=C(C)C=C1C(N)=O BB58-3245 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.49 CCN1N=C(N)C=C1C(=O)O BB05-2523 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.59 CCC1=C(C(=O)OC)NC=N1 BB01-3627 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.59 CCN1N=CC=C1C(=O)NN BB55-3818 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.64 CCC1=C(C)SC=C1C(=O)Cl BB55-5693 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.64 CCC1=C(C)SC=C1C(=O)O BB05-1142 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.64 CCC1=C(C)SC=C1C(=O)O BB55-0636 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.64 CCN1C(C)=CN=C1C(=O)O BB58-5001 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.178 CC(C)N1N=CC=C1C(=O)O BB57-2063 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.178 O=C(O)C1=CC=NN1C(F)F BB05-1145 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.178 O=C(O)C1=CC=NN1C(F)F BB55-2952 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.193 O=C(O)C1=CC=NN1CCO BB58-1287 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.471 CCN1N=CC(Br)=C1C(=O)Cl BB55-5746 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.471 CCN1N=CC(Br)=C1C(=O)O BB55-3050 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.471 CCN1N=CC(Br)=C1C(C)=O BB55-3003 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.471 CCN1N=CC(Cl)=C1C(=O)Cl BB55-4164 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.471 CCN1N=CC(Cl)=C1C(=O)O BB01-4741 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.471 CCN1N=CC(N)=C1C(N)=O BB05-1339 [0,1,0,0,0,0|2,0,0]=3 48 B11R2.106 O=C1CCCC2=C1C=NN2 BB54-4553 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.106 O=C1CCCN2C=CN=C12 BB58-3678 [0,0,0,1,0,0|1,0,0]=2 50 B11R2.106 O=C1NN=CN2C=CC=C12 BB01-0510 [0,0,0,1,0,0|2,0,1]=4 51 B11R1.53 CNC1=NC=CC=C1C(=O)O BB12-3552 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.53 CSC1=C(C(=O)Cl)C=CC=N1 BB01-5649 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 BB12-1453 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.53 NCC1=CC=CC=C1C(=O)O BB54-2018 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.57 CCN1N=CC=C1CC(C)N BB57-2397 [0,0,0,0,0,1|2,0,1]=4 56 B11R1.266 C#CC1=CC=CC(C(C)=O)=C1 BB31-2469 [0,0,0,0,0,1|1,0,2]=4 57 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 BB12-2280 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 BB58-1316 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 BB05-1921 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 BB57-2446 [0,0,0,0,0,1|3,0,0]=4 61 B8R1.11 CCC1=CC=NN1C BB57-2378 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.11 CCN1C=NC=C1C BB58-4997 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.11 CCN1N=CC=C1Br BB58-1974 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.11 CCN1N=CC=C1C BB55-3442 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.11 CCN1N=CC=C1N BB58-2100 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.11 CN1C=CC=C1C#N BB01-3443 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.11 CN1C=CC=C1CO BB90-0093 [2,0,0,0,0,0|0,0,2]=4 68 B8R1.11 CN1C=CC=C1C[O-] BB58-0491 [2,0,0,0,0,0|0,0,2]=4 69 B8R1.11 CN1N=CC=C1C=O BB05-1119 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.11 CN1N=CC=C1C=O BB55-3814 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.11 CSC1=NC=CN1C BB26-0699 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.7 CC(=O)C1=NC=CN1 BB58-3749 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.7 CC(=O)C1=NN=CN1 BB17-0204 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.7 O=C(Cl)C1=CC=NN1 BB58-3477 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.5 CCC1=NC=CN1CCN BB56-2918 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.5 CCCN1N=CC=C1C=O BB05-2181 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.5 CCN1C=CN=C1CNC BB55-8235 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.5 CCN1N=CC=C1CCN BB05-4938 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.5 CCN1N=CC=C1CCN BB57-2396 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.5 CCN1N=CC=C1CNC BB05-1132 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.5 CCN1N=CC=C1CNC BB57-3052 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.32 CCN1C=C(C)N=C1C=O BB58-4994 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.257 CCN1C(C)=CN=C1C=O BB58-5000 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.257 CCN1N=CC(Br)=C1C=O BB05-1125 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.257 CCN1N=CC(Cl)=C1C=O BB05-1124 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.59 CC1=CN(C)C(C(=O)O)=N1 BB58-4992 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 BB54-4237 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.59 CN1N=C(N)C=C1C(=O)O BB05-2522 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.59 CN1N=C(N)C=C1C(=O)O BB57-2283 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.59 CN1N=C(N)C=C1C(N)=O BB05-4846 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.65 CN1C=CN=C1S(C)(=O)=O BB26-0700 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.149 CN1C=CC=C1\C(N)=N/O BB12-3493 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.149 CN1C=CN=C1C(=O)NN BB55-6491 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.149 CN1N=CC=C1C(=O)NN BB55-2148 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.149 COC(=O)C1=CC=NN1C BB58-0460 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.192 CC(=O)C1=C(Br)C=NN1C BB55-3002 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.192 CC(=O)C1=C(C)OC=C1C BB17-2351 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.192 CN1N=CC(Br)=C1C(=O)Cl BB55-4163 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.192 CN1N=CC(Br)=C1C(=O)O BB55-3833 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.192 CN1N=CC(Cl)=C1C(=O)Cl BB55-5209 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.192 CN1N=CC(Cl)=C1C(=O)O BB05-0019 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.192 CN1N=CC(Cl)=C1C(=O)O BB12-1894 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.192 CN1N=CC(I)=C1C(=O)O BB05-0296 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.192 CN1N=CC(I)=C1C(=O)O BB12-1893 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.192 CN1N=CC(N)=C1C(=O)O BB05-1508 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.192 CN1N=CC(N)=C1C(=O)O BB54-4006 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.192 CN1N=CC(N)=C1C(N)=O BB05-1338 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.192 CN1N=CC(N)=C1C(N)=O BB55-3929 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.194 CC1=CN=C(C(=O)O)N1C BB58-5002 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 BB54-3708 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.46 COC1=CC=C(F)C=C1C(C)=O BB54-4582 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 BB54-5278 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.77 COC(=O)C1=CC=CC=C1CBr BB57-2114 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.87 COC1=C(C(C)=O)C=CC=C1Cl BB54-3707 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.261 CC(=O)C1=CC=CN=C1N(C)C BB57-4156 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.283 CCNC1=CC=CC=C1C(=O)O BB58-4356 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.283 CNCC1=C(C(=O)O)C=CC=C1 BB58-3692 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.56 CCC1=CC(C(=O)O)=CC=C1F BB58-4734 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.279 CCOC1=CC(C(=O)Cl)=CC=C1 BB55-5558 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.435 CNC(=O)C1=CC=CC(CN)=C1 BB57-2441 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 BB20-4654 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB26-0152 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB58-1431 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 BB01-6358 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.276 CCCN1N=C(C)C=C1C(=O)O BB58-2094 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.609 CCN1N=C(C)C(Br)=C1C(=O)O BB58-3248 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.850 CC(C)N1N=C(N)C=C1C(=O)O BB05-4010 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.850 CC1=NN(C(C)C)C(C(=O)Cl)=C1 BB58-5216 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.850 CC1=NN(C(C)C)C(C(=O)O)=C1 BB58-5213 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.850 CC1=NN(C(C)C)C(C(N)=O)=C1 BB58-5214 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.1926 CCN1N=C(C)C=C1C(=O)NN BB58-3246 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.1926 CCN1N=C(C)C=C1C(=O)OC BB05-3902 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.291 CCCN1N=CC=C1C(=O)OC BB05-3580 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.316 CCOC(=O)C1=CC=NN1CC BB05-4979 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.316 CCOC(=O)C1=CC=NN1CC BB58-3473 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.368 COC(=O)C1=CC=NN1C(C)C BB05-3496 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.498 CC(C)N1N=CC(Cl)=C1C(=O)O BB05-2514 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.181 CCCN1N=CC(Br)=C1C(=O)O BB05-2168 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.181 CCCN1N=CC(Cl)=C1C(=O)O BB05-2167 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.386 CCCCN1N=CC=C1C(=O)O BB05-2511 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.386 COCCN1N=CC=C1C(=O)O BB05-3741 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.10 CCNC1=NC(C)=CC=C1 BB58-1376 [0,0,1,1,0,0|1,0,0]=3 143 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [0,0,1,1,0,0|1,0,1]=4 144 B10R2.7 C1=CN2CCNCC2=C1 BB55-4551 [1,0,0,1,0,0|1,0,1]=4 145 B12R2.1081 O=C1CCOC2=CC=CC=C12 BB01-2459 [0,0,0,1,0,1|2,0,0]=4 146 B12R2.2365 CC1(C)NCCN2C=CC=C21 BB57-3154 [0,1,0,1,0,0|1,0,1]=4 147 B12R2.315 CCC1NCCN2C=CC=C12 BB01-4331 [0,1,0,1,0,0|1,0,1]=4 148 B12R2.196 CC1=CC=C2C(C)=NCCN12 BB57-5923 [0,1,0,1,0,0|1,0,0]=3 149 B12R2.196 CC1=CC=C2C(C)NCCN12 BB01-4326 [0,1,0,1,0,0|1,0,1]=4 150 B10R1.172 CCC1=NC=CC(C=O)=N1 BB58-0533 [1,0,0,0,0,1|2,0,0]=4 151 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 BB55-5709 [0,0,0,0,1,1|2,0,0]=4 152 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB05-0002 [0,0,0,0,1,1|2,0,0]=4 153 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB55-0647 [0,0,0,0,1,1|2,0,0]=4 154 B10R1.31 CCN1C=C(C(=O)Cl)C=N1 BB57-0790 [0,0,0,0,1,1|2,0,0]=4 155 B10R1.31 CCN1C=C(C(=O)O)C=N1 BB55-0058 [0,0,0,0,1,1|2,0,0]=4 156 B10R1.31 CCN1C=C(C(C)=O)C=N1 BB54-1680 [0,0,0,0,1,1|1,0,0]=3 157 B10R1.31 CCN1C=CC(C(=O)Cl)=N1 BB55-3861 [0,0,0,0,1,1|1,0,0]=3 158 B10R1.31 CCN1C=CC(C(=O)O)=N1 BB01-4866 [0,0,0,0,1,1|1,0,0]=3 159 B10R1.31 CCN1C=CC(C(C)C)=N1 BB05-4986 [0,0,0,0,1,1|1,0,1]=4 160 B10R1.31 CCN1C=CC(C(C)N)=N1 BB05-1920 [0,0,0,0,1,1|1,0,1]=4 161 B10R1.31 CCN1C=CC(C(C)N)=N1 BB57-3105 [0,0,0,0,1,1|1,0,1]=4 162 B10R1.31 CCN1C=CC(C(N)=O)=N1 BB05-2031 [0,0,0,0,1,1|1,0,0]=3 163 B10R1.31 CCN1C=CC([N+](=O)[O-])=N1 BB58-2098 [0,0,0,0,1,1|2,0,0]=4 164 B10R1.31 O=C(O)C1=NN(CO)C=C1 BB05-1993 [0,0,0,0,1,1|2,0,0]=4 165 B10R1.31 O=C(O)C1=NN(CO)C=C1 BB57-3439 [0,0,0,0,1,1|2,0,0]=4 166 B12R1.75 CC(=O)OC1=C(CN)C=CC=C1 BB54-5036 [0,0,0,0,0,2|2,0,0]=4 167 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 BB12-5051 [0,0,0,0,0,2|2,0,0]=4 168 B12R1.438 CC(=O)NC1=CC(CN)=CC=C1 BB57-3163 [0,0,0,0,0,2|2,0,0]=4