0 B11R1.40 CC(CN)OC1=CC=CN=C1 BB55-5172 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.40 CNC(C)CC1=NC=CN=C1 BB55-6192 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 NNC(=O)NC1=CC=CC=C1 BB55-2196 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 NNC(=S)NC1=CC=CC=C1 BB12-2786 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB53-1939 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 BrCCCC1=CN=CC=C1 BB54-3595 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 ClCCCC1=CC=NC=C1 BB57-3431 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 NCCCC1=CC=CC=N1 BB54-0788 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 NCCCC1=CC=NC=C1 BB57-3430 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 OCCCC1=CC=NC=C1 BB57-6720 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.18 CC(=O)CC1=NC=CC=C1 BB55-8084 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 CC(N)CC1=CC=CN=C1 BB57-1084 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.18 CC(N)CC1=NC=CN=C1 BB55-7668 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.18 CC(O)CC1=NC=CC=C1 BB55-7547 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.18 CC(O)CC1=NC=CN=C1 BB55-6193 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.18 N=C(N)CC1=CC=CC=C1 BB31-4317 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.18 N=C(N)NC1=CC=CC=C1 BB57-2954 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.18 NC(=O)NC1=CC=CC=C1 BB01-6936 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BB54-3217 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 BB54-1621 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.194 NNS(=O)(=O)CC1=CC=CC=C1 BB57-6021 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.18 CC1=NC2=CC=CC=C2N1C BB01-2782 [0,0,0,1,0,0|1,0,1]=3 29 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [0,0,0,1,0,0|2,0,0]=3 30 B12R2.18 CN1C(=S)NC2=CC=CC=C21 BB54-2461 [0,0,0,1,0,0|2,0,1]=4 31 B12R2.18 CN1C2=CC=CC=C2N=C1Cl BB12-1469 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.24 NC1CCC2=C(C=CC=C2)C1 BB57-6610 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.32 CNC1CC2=CC=CC=C2C1 BB53-1624 [0,0,0,1,0,0|0,0,0]=1 34 B12R2.32 NCC1CC2=CC=CC=C2O1 BB54-1902 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.32 OCC1CC2=C(C=CC=C2)N1 BB31-2427 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.94 NC1(CC2=CC=CC=C2)CC1 BB55-6354 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [0,0,0,0,1,0|2,0,0]=3 38 B10R1.15 CC(NN)C1=CC=CN=C1 BB57-2140 [0,0,0,0,1,0|2,0,0]=3 39 B10R1.15 CC(NN)C1=CC=NC=C1 BB57-2139 [0,0,0,0,1,0|2,0,0]=3 40 B10R1.15 CCC(N)C1=CC=CC=C1 BB05-0915 [0,0,0,0,1,0|2,0,0]=3 41 B10R1.15 CCC(N)C1=CC=CC=C1 BB55-1056 [0,0,0,0,1,0|2,0,0]=3 42 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [0,0,0,0,1,0|0,0,0]=1 43 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [0,0,0,0,1,0|2,0,1]=4 44 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [0,0,0,0,1,0|3,0,0]=4 45 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,0,0,0,1,0|2,0,1]=4 46 B10R1.15 [C-]#[N+]C(C)C1=CC=NC=C1 BB56-1680 [0,0,0,0,1,0|1,0,2]=4 47 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,0,0,0,0,1|2,0,1]=4 48 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,0,0,0,0,1|2,0,1]=4 49 B9R1.8 BrCCC1=NC=CC=C1 BB54-3597 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 CCNC1=CC=CN=C1 BB58-1378 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 CNCC1=NC=CC=C1 BB55-7031 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.8 CNCC1=NC=CN=C1 BB54-5692 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.8 CNCC1=NC=NC=C1 BB57-2309 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 ClCCC1=NC=CC=C1 BB54-3546 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 NCCC1=NC=CN=C1 BB55-7667 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 NOCC1=CC=CC=C1 BB05-2313 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 OCCC1=NC=CC=C1 BB01-4800 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [2,0,0,0,0,0|0,0,2]=4 59 B11R1.1 CC1=CC=C(CCCN)C=C1 BB58-0569 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.1 CC1=CC=C(CCCO)C=C1 BB32-2521 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.1 NCCCC1=CC=C(Cl)C=C1 BB54-2040 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.1 NCCCC1=CC=C(F)C=C1 BB58-0570 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [1,1,0,0,0,0|0,0,0]=2 64 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.17 NCCCC1=C(Cl)C=CC=C1 BB58-0571 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.24 CC1=CC=CC(CCCN)=C1 BB58-0568 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.24 CC1=CC=CC(CCCO)=C1 BB31-8239 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.24 ClC1=CC=CC(CCCBr)=C1 BB31-7544 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.24 N#CCCC1=CC=CC(Br)=C1 BB32-1657 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.28 C=CCCNC1=CC=CC=C1 BB58-4953 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.28 NCCCCC1=NC=CC=C1 BB54-4080 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.28 NCCOCC1=CC=CC=C1 BB55-4803 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.28 S=C=NCCC1=CC=CC=C1 BB54-2698 [1,1,0,0,0,0|0,0,2]=4 77 B11R1.91 CC(N)COC1=CC=CC=C1 BB58-0599 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.91 N=C(N)CCC1=CC=CC=C1 BB57-1742 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 BB58-0485 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.36 CC(C)C(N)C1=CC=CC=C1 BB58-0614 [1,1,0,0,0,0|0,0,0]=2 82 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 BB54-4112 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 BB01-2614 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.86 CC(C)NC1=C(N)C=CC=C1 BB32-3847 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.86 CC(C)OC1=CC=CC=C1N BB57-2916 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.86 CC1=CC=CN=C1CC(C)O BB55-7546 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 BB58-0486 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.157 CC1=CC(CC(C)O)=NC=C1 BB55-7545 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.157 CC1=CC=CC(CC(C)O)=N1 BB55-6191 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.157 CN(C)CC1=CC(S)=CC=C1 BB55-8423 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 BB53-1496 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.7 CC(C)(CN)C1=CC=CC=C1 BB32-0942 [0,1,0,0,1,0|2,0,0]=4 94 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BB55-1641 [0,1,0,0,1,0|2,0,0]=4 95 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB32-1137 [0,1,0,0,1,0|2,0,0]=4 96 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB12-1843 [0,1,0,0,1,0|1,0,1]=4 97 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [0,1,0,0,1,0|0,0,0]=2 98 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 BB56-1668 [0,1,0,0,1,0|0,0,2]=4 99 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 BB55-1640 [0,1,0,0,1,0|2,0,0]=4 100 B11R1.23 [C-]#[N+]C(C)C1=CC(Cl)=CC=C1 BB56-1669 [0,1,0,0,1,0|0,0,2]=4 101 B11R1.222 CCC(N)C1=CC=CC=C1C BB58-0612 [0,1,0,0,1,0|2,0,0]=4 102 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 BB32-3697 [0,1,0,0,0,1|1,0,1]=4 103 B13R1.42 CNCC(O)COC1=CC=CC=C1 BB17-0643 [0,1,0,0,0,1|1,0,0]=3 104 B13R1.254 C#CC(C)(O)CCC1=CC=CC=C1 BB54-1642 [0,1,0,0,0,1|1,0,1]=4 105 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 BB58-4522 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.133 CC(CC1=CC=C(N)C=C1)[N+](=O)[O-] BB55-7305 [0,2,0,0,0,0|1,0,1]=4 107 B13R1.133 CN(C)C(=O)CC1=CC=C(Br)C=C1 BB55-4746 [0,2,0,0,0,0|1,0,1]=4 108 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O BB58-2555 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.146 CCN(CC)CC1=CC=CC(N)=C1 BB57-5515 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.2872 CC(CN)CC1=C(Cl)C=CC(Cl)=C1 BB57-6431 [0,2,0,0,0,0|2,0,0]=4 111 B13R1.91 CCC(C)OC1=C(C=O)C=CC=C1 BB17-1875 [0,2,0,0,0,0|2,0,0]=4 112 B11R2.20 C1=CC2=C(C=N1)CNCC2 BB32-2671 [1,0,0,1,0,0|1,0,0]=3 113 B11R2.238 C1=CC=C(NC2CC2)C=C1 BB32-1778 [1,0,0,1,0,0|2,0,0]=4 114 B11R2.10 CC1=NC2=CC=CC=C2N1 BB01-2789 [1,0,0,1,0,0|1,0,1]=4 115 B13R2.33 O=C1COC2=CC=CC=C2CN1 BB57-5539 [0,0,0,1,0,1|1,0,1]=4 116 B13R2.15 CC1CNCC1C2=CC=CC=C2 BB58-3084 [0,1,0,1,0,0|0,0,0]=2 117 B13R2.26 CCNC1CC2=CC=CC=C2C1 BB53-1619 [0,1,0,1,0,0|0,0,0]=2 118 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 BB56-0022 [0,1,0,1,0,0|0,0,0]=2 119 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 BB57-1254 [0,1,0,1,0,0|0,0,0]=2 120 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 BB12-1122 [0,1,0,1,0,0|1,0,0]=3 121 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 BB31-5814 [0,1,0,1,0,0|1,0,0]=3 122 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)C=C1 BB31-9526 [0,1,0,1,0,0|1,0,0]=3 123 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 BB31-2313 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 BB58-3117 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.45 CN1C2=CC=CC=C2N=C1CBr BB57-2515 [0,1,0,1,0,0|1,0,1]=4 126 B13R2.45 CN1C2=CC=CC=C2N=C1CCl BB12-3126 [0,1,0,1,0,0|1,0,1]=4 127 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 BB12-1567 [0,1,0,1,0,0|1,0,1]=4 128 B13R2.369 CC1NC2=CC=CC=C2NC1C BB57-5751 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 BB05-2321 [0,1,0,1,0,0|2,0,0]=4 130 B13R2.435 CN(C)C1CC2=CC=CC=C2C1 BB53-1352 [0,1,0,1,0,0|0,0,0]=2 131 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 BB54-1488 [0,1,0,1,0,0|2,0,0]=4 132 B13R2.5190 CC1=NC2=CC(N)=CC=C2N1C BB12-1088 [0,1,0,1,0,0|1,0,1]=4 133 B13R2.5190 CN1C(=O)CC2=CC(Br)=CC=C21 BB12-1851 [0,1,0,1,0,0|1,0,1]=4 134 B13R2.217 NC1(CC2=CC=CC=C2Cl)CC1 BB57-1440 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O BB55-8395 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.12 CNCCC1=CC=CS1 BB55-8320 [1,0,0,0,1,0|1,0,0]=3 137 B9R1.12 CNCCC1=CNN=C1 BB01-4435 [1,0,0,0,1,0|2,0,0]=4 138 B9R1.6 CC(N)C1=CC=NC=C1 BB05-0766 [1,0,0,0,1,0|1,0,0]=3 139 B9R1.13 CC(C)CC1=NC=CN1 BB12-2831 [1,0,0,0,1,0|2,0,0]=4 140 B9R1.13 CC(N)CC1=CC=CO1 BB01-4437 [1,0,0,0,1,0|1,0,0]=3 141 B9R1.13 CC(N)CC1=CC=CO1 BB05-3274 [1,0,0,0,1,0|1,0,0]=3 142 B9R1.13 CC(N)CN1C=CC=N1 BB57-3060 [1,0,0,0,1,0|2,0,0]=4 143 B9R1.13 CC(N)CN1C=CN=C1 BB54-1957 [1,0,0,0,1,0|2,0,0]=4 144 B9R1.13 CN(C)CC1=CC=CN1 BB12-1785 [1,0,0,0,1,0|2,0,0]=4 145 B13R1.718 CC(CO)CNCC1=CC=CC=C1 BB57-2239 [0,0,0,0,0,2|2,0,0]=4