0 B10R1.18 CC(=O)CC1=NC=CC=C1 BB55-8084 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(=O)CC1=NC=CN=C1 BB57-2158 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(N)CC1=CC=CN=C1 BB57-1084 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 CC(N)CC1=NC=CN=C1 BB55-7668 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(O)CC1=NC=CC=C1 BB55-7547 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 CC(O)CC1=NC=CN=C1 BB55-6193 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 N=C(N)CC1=CC=CC=C1 BB31-4317 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.8 BrCCC1=NC=CC=C1 BB54-3597 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 CCNC1=CC=CN=C1 BB58-1378 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 CNCC1=NC=CC=C1 BB55-7031 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 CNCC1=NC=CN=C1 BB54-5692 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 ClCCC1=NC=CC=C1 BB54-3546 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.8 N#CCC1=CC=CN=C1 BB54-4766 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 NCCC1=NC=CN=C1 BB55-7667 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 NOCC1=CC=CC=C1 BB05-2313 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 OCCC1=NC=CC=C1 BB01-4800 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 OCCC1=NC=CN=C1 BB57-7201 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 ON=CC1=CC=CN=C1 BB01-2791 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 BB58-0485 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 BB54-4732 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 CC(C)C(N)C1=CC=CC=C1 BB58-0614 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.40 CC(CN)OC1=CC=CN=C1 BB55-5172 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.40 CNC(C)CC1=NC=CN=C1 BB55-6192 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.86 CC(=O)NC1=CC=CN=C1Cl BB55-2890 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.86 CC(C)NC1=C(N)C=CC=C1 BB32-3847 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.86 CC(C)OC1=CC=CC=C1N BB57-2916 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.86 CC1=CC=CN=C1CC(C)O BB55-7546 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 BB58-0486 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.157 CC1=CC(CC(C)O)=NC=C1 BB55-7545 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.157 CC1=CC=CC(CC(C)O)=N1 BB55-6191 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.157 CN(C)CC1=CC(S)=CC=C1 BB55-8423 [0,1,0,0,0,0|2,0,0]=3 36 B11R2.10 CC1=NC2=CC=CN=C2N1 BB12-2830 [0,0,0,1,0,0|2,0,1]=4 37 B11R2.10 CC1=NC2=CN=CC=C2N1 BB58-3066 [0,0,0,1,0,0|2,0,1]=4 38 B11R2.238 C1=CC=C(NC2CC2)C=C1 BB32-1778 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.6 CC(N)C1=CC=NC=C1 BB05-0766 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [0,0,0,0,1,0|2,0,1]=4 41 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [0,0,0,0,1,0|2,0,1]=4 42 B9R1.13 CC(=O)CN1C=CC=N1 BB54-2703 [0,0,0,0,1,0|2,0,1]=4 43 B9R1.13 CC(C)CC1=NC=CN1 BB12-2831 [0,0,0,0,1,0|1,0,0]=2 44 B9R1.13 CC(N)CC1=CC=CO1 BB01-4437 [0,0,0,0,1,0|2,0,0]=3 45 B9R1.13 CC(N)CC1=CC=CO1 BB05-3274 [0,0,0,0,1,0|2,0,0]=3 46 B9R1.13 CC(N)CN1C=CC=N1 BB57-3060 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.13 CC(N)CN1C=CN=C1 BB54-1957 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.13 CC(N)CN1C=NC=N1 BB54-3086 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.13 CN(C)CC1=CC=CN1 BB12-1785 [0,0,0,0,1,0|1,0,1]=3 50 B11R1.91 CC(N)COC1=CC=CC=C1 BB58-0599 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [0,0,0,0,0,1|2,0,1]=4 52 B11R1.91 NC(=S)COC1=CC=CN=C1 BB20-4557 [0,0,0,0,0,1|2,0,1]=4 53 B8R1.2 CNC1=NC=CN=C1 BB54-3963 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 ClCC1=CC=CN=C1 BB60-7973 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.2 ClCC1=NN=CC=C1 BB32-1188 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 NCC1=CN=NC=C1 BB58-0413 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 NCC1=NC=CN=C1 BB58-0829 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 NNC1=CC=CN=C1 BB55-7287 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.2 OCC1=NC=CN=C1 BB58-0100 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.1 CCCC1=CN=C(O)N=C1 BB58-1072 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.1 CCNC1=CC=C(Br)C=C1 BB31-7412 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.1 CCNC1=CC=C(Cl)N=N1 BB55-4296 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.1 CCNC1=CC=C(F)C=C1 BB01-5251 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.1 CNCC1=CC=C(Br)C=C1 BB57-3005 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.1 CNCC1=CC=C(Cl)N=C1 BB53-1663 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.1 CNCC1=CC=C(O)C=C1 BB05-4614 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.1 CSCC1=CC=C(Cl)N=C1 BB53-1554 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.4 CCOC1=C(N)N=CC=C1 BB54-3639 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.10 COCC1=CC=CC(N)=C1 BB57-5775 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.15 CC(NN)C1=CC=CN=C1 BB57-2140 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.15 CCC(N)C1=CC=CC=C1 BB05-0915 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.15 CCC(N)C1=CC=CC=C1 BB55-1056 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.17 BrCCCC1=CN=CC=C1 BB54-3595 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.17 ClCCCC1=CC=NC=C1 BB57-3431 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.17 N#CNCC1=CN=CC=C1 BB12-1080 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.17 NCCCC1=CC=CC=N1 BB54-0788 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.17 NCCCC1=CC=NC=C1 BB57-3430 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.17 OCCCC1=CC=NC=C1 BB57-6720 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 BB57-2410 [0,1,0,0,1,0|1,0,0]=3 87 B10R1.13 CC(C)C1=CN=C(O)N=C1 BB57-2411 [0,1,0,0,1,0|1,0,0]=3 88 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BB55-1646 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.61 CC(O)C1=CC=CN=C1Cl BB31-1901 [0,1,0,0,1,0|1,0,0]=3 91 B10R1.61 CC1=CC=CC=C1C(C)N BB58-0605 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB12-1582 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 BB55-1702 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.113 CC(N)C1=CC=CC(O)=C1 BB57-2921 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.113 CC1=CC=CC(C(C)N)=C1 BB55-1697 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.23 CC(C)C(N)C1=CC=CS1 BB01-4385 [0,1,0,0,1,0|1,0,0]=3 98 B10R1.27 CC(CN)CN1C=CC=N1 BB05-2465 [0,1,0,0,1,0|1,0,0]=3 99 B10R1.27 CCC(N)CN1C=CN=C1 BB54-1376 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.54 CC(C)CC1=NN=C(Br)S1 BB58-0827 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.54 CC(C)CC1=NN=C(Cl)S1 BB58-0826 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.54 CC(C)CN1C=CC(N)=N1 BB05-2481 [0,1,0,0,1,0|1,0,0]=3 103 B10R1.54 CC(C)CN1C=NC(Cl)=N1 BB58-3455 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.54 CC1=CC(CC(C)N)=NN1 BB55-6210 [0,1,0,0,1,0|2,0,0]=4 105 B10R1.54 CC1=CN(CC(C)N)N=C1 BB05-2150 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.54 CC1=CN(CC(C)N)N=C1 BB57-3090 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.54 CC1=NN(CC(C)N)C=C1 BB01-6573 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.64 CC(N)CC1=CC=NN1C BB05-5032 [0,1,0,0,1,0|2,0,0]=4 109 B10R1.64 CC(N)CC1=CC=NN1C BB57-3161 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.281 CC(C)(C)NC1=NC=CS1 BB58-4739 [0,1,0,0,1,0|2,0,0]=4 111 B10R1.281 CC(C)(N)CN1C=CN=C1 BB57-2972 [0,1,0,0,1,0|1,0,0]=3 112 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 BB53-1661 [0,1,0,0,0,1|1,0,1]=4 113 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 BB58-0616 [0,1,0,0,0,1|1,0,0]=3 114 B12R1.107 CC(C)NC(=S)C1=CC=CN=C1 BB20-3355 [0,1,0,0,0,1|0,0,1]=3 115 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 BB55-8286 [0,1,0,0,0,1|1,0,0]=3 116 B12R1.891 CC(C)(O)CNC1=CC=CC=C1 BB58-3437 [0,1,0,0,0,1|1,0,0]=3 117 B12R1.4 CN(C)CC1=CC=C(C=O)C=C1 BB55-8249 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 BB55-8252 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.4 CN(C)CC1=CC=C(CO)C=C1 BB58-0487 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.20 CN(C)C(=O)C1=CN=C(Br)C=C1 BB57-2445 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.106 CC(C)(C)SC1=NN=C(Cl)C=C1 BB10-0538 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.106 CC(C)(N)CC1=CC=C(Cl)C=C1 BB54-2059 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.106 CC(C)(N)CC1=CC=C(O)C=C1 BB57-5882 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.106 CS(=O)(=O)CC1=CC=C(Cl)N=C1 BB53-1660 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.124 CC1=CC=CC=C1C(N)C(C)C BB58-0615 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl BB55-2944 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.253 CC(=O)C(C)(O)C1=CN=CC=C1 BB54-1702 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 BB54-1621 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.75 CN(C)CC1=C(C=O)C=CC=C1 BB55-8247 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 BB54-2084 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.438 CN(C)CC1=CC(C=O)=CC=C1 BB55-8248 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 BB55-8251 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.39 CC(C)N1C=CN=C1C=O BB05-4812 [0,0,1,1,0,0|2,0,0]=4 134 B10R2.7 C1=NC=C2CNCC2=N1 BB31-8911 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.24 NC1CCC2=C(C=CC=C2)C1 BB57-6610 [0,0,0,1,0,1|2,0,0]=4 136 B12R2.606 CC1C[N+]2=C(C=C(Cl)N=C2)N1 BB20-0358 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [0,1,0,1,0,0|1,0,1]=4 138 B12R2.32 CNC1CC2=CC=CC=C2C1 BB53-1624 [0,1,0,1,0,0|1,0,0]=3 139 B12R2.32 NCC1CC2=CC=CC=C2O1 BB54-1902 [0,1,0,1,0,0|2,0,0]=4 140 B12R2.32 OCC1CC2=C(C=CC=C2)N1 BB31-2427 [0,1,0,1,0,0|2,0,0]=4 141 B12R2.94 NC1(CC2=CC=CC=C2)CC1 BB55-6354 [0,1,0,1,0,0|1,0,0]=3 142 B12R2.95 CC1(C)CC2=CC=CC=C2O1 BB12-2136 [0,1,0,1,0,0|1,0,0]=3 143 B12R2.225 NC1=C(NC2CC2)C=CC=C1 BB31-9144 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.8 BrCCN1C=CC=N1 BB55-6368 [1,0,0,0,1,0|2,0,0]=4 145 B8R1.8 BrCCN1C=CN=C1 BB12-2762 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.8 CCCC1=CC=CS1 BB05-4767 [1,0,0,0,1,0|1,0,0]=3 147 B8R1.8 CCCC1=CNN=C1 BB12-3540 [1,0,0,0,1,0|1,0,0]=3 148 B8R1.8 CCCN1C=CN=C1 BB12-1504 [1,0,0,0,1,0|1,0,0]=3 149 B8R1.8 CNCC1=CC=NN1 BB05-3097 [1,0,0,0,1,0|2,0,0]=4 150 B8R1.8 CNCC1=CC=NN1 BB57-2508 [1,0,0,0,1,0|2,0,0]=4 151 B8R1.8 CNCC1=CN=CS1 BB58-0523 [1,0,0,0,1,0|2,0,0]=4 152 B8R1.8 CNCC1=NC=CN1 BB55-8370 [1,0,0,0,1,0|2,0,0]=4 153 B8R1.8 CNCC1=NC=CS1 BB55-8215 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.8 COCC1=NC=CN1 BB58-3125 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,1,0|2,0,0]=4 156 B8R1.8 NCCC1=CNN=C1 BB05-4724 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.8 NCCC1=CNN=C1 BB54-4003 [1,0,0,0,1,0|2,0,0]=4 158 B8R1.8 NCCC1=CSC=C1 BB55-8410 [1,0,0,0,1,0|2,0,0]=4 159 B8R1.8 NCCC1=CSC=N1 BB58-4849 [1,0,0,0,1,0|2,0,0]=4 160 B8R1.8 NCCC1=NC=CN1 BB12-2787 [1,0,0,0,1,0|2,0,0]=4 161 B8R1.8 NCCC1=NNC=C1 BB57-2155 [1,0,0,0,1,0|2,0,0]=4 162 B8R1.8 NCCN1C=CC=C1 BB57-3156 [1,0,0,0,1,0|2,0,0]=4 163 B8R1.8 NCCN1C=CN=C1 BB05-4770 [1,0,0,0,1,0|2,0,0]=4 164 B8R1.8 NCCN1C=CN=C1 BB56-2159 [1,0,0,0,1,0|2,0,0]=4 165 B8R1.8 NCCN1C=CN=C1 BB56-2917 [1,0,0,0,1,0|2,0,0]=4 166 B8R1.8 OCCC1=CNN=C1 BB05-0885 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.8 OCCC1=CNN=C1 BB55-3042 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.7 CC(C)C1=CC=NN1 BB12-3679 [0,0,0,0,2,0|1,0,0]=3 169 B8R1.7 CC(C)C1=CNN=C1 BB57-2409 [0,0,0,0,2,0|1,0,0]=3 170 B8R1.7 CC(C)C1=NC=NN1 BB58-1069 [0,0,0,0,2,0|2,0,0]=4 171 B8R1.7 CC(N)C1=CSC=C1 BB57-3256 [0,0,0,0,2,0|2,0,0]=4 172 B8R1.7 CC(N)C1=CSC=N1 BB55-8363 [0,0,0,0,2,0|2,0,0]=4 173 B8R1.7 CC(N)C1=NC=CS1 BB55-8216 [0,0,0,0,2,0|2,0,0]=4