0 B11R1.40 CCC(=O)CC1=CC=CC=C1 BB57-4116 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB01-5922 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.40 NCC(=O)NC1=CC=CC=C1 BB58-5120 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 NNC(=O)CC1=CC=CC=C1 BB01-5971 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 O=C(CCl)NC1=CC=CC=C1 BB12-3619 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 O=C=NCC1=CC=CC=C1 BB01-4445 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.17 O=CNCC1=CC=CC=C1 BB20-1135 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.17 OC\C=C\C1=CC=CC=C1 BB01-5912 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.18 CC(=O)NC1=NC=CC=C1 BB20-1257 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.18 CC(=O)OC1=CC=CN=C1 BB57-3384 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.18 N=C(N)NC1=CC=CC=C1 BB01-2596 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.18 NC(=S)CC1=CC=CC=C1 BB57-5511 [1,0,0,0,0,0|1,1,1]=4 12 B10R1.18 NC(=S)NC1=CC=CC=C1 BB01-7403 [1,0,0,0,0,0|2,1,0]=4 13 B10R1.18 O=C(O)CC1=CC=CN=C1 BB01-8322 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB55-5200 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BB01-4649 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O BB55-3493 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O BB57-6615 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB55-5151 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.43 O=C(O)\C(Cl)=C\C1=CC=CC=C1 BB57-2332 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.50 C=CC(=O)NC1=CC=CC(C)=C1 BB20-1412 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 BB01-8134 [0,0,0,1,0,0|2,0,0]=3 22 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BB01-6155 [0,0,0,1,0,0|2,0,0]=3 23 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 BB01-7804 [0,0,0,1,0,0|2,0,0]=3 24 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 BB32-1617 [0,0,0,1,0,0|3,0,0]=4 25 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 BB57-6789 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BB01-7793 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 BB57-3407 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.24 OC1=CC=C2C=CC=CC2=N1 BB17-2144 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.32 N#CC1=CC2=CC=CC=C2O1 BB58-4707 [0,0,0,1,0,0|2,0,1]=4 30 B12R2.32 O=CC1=CC2=CC=CC=C2S1 BB58-0480 [0,0,0,1,0,0|1,0,0]=2 31 B12R2.32 O=CC1=NC2=CC=CC=C2S1 BB55-8341 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.15 C\C(=N/O)C1=CC=NC=C1 BB05-0881 [0,0,0,0,1,0|2,0,1]=4 33 B10R1.15 NNC(=S)C1=CC=CC=C1 BB17-0201 [0,0,0,0,1,0|3,0,0]=4 34 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB05-1988 [0,0,0,0,1,0|2,0,1]=4 35 B9R1.8 O=CCC1=CC=CC=C1 BB01-5910 [2,0,0,0,0,0|0,0,1]=3 36 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 BB17-2312 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.17 C(=O)NCC1=CC=CC=C1C BB20-0165 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.91 O=C(Cl)CSC1=CC=CC=C1 BB20-1581 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 BB01-3764 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 BB55-7473 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.91 O=[N+]([O-])\C=C\C1=CN=CC=C1 BB57-3658 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB01-5900 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.20 CC(=O)NC1=CC=C(N)C=N1 BB20-3082 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 BB01-6131 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 BB01-4680 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 BB01-6272 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 BB01-6305 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 BB01-6345 [1,1,0,0,0,0|0,0,2]=4 49 B11R1.86 CC(=O)NC1=CC=CC=C1O BB17-0735 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.86 CC(=O)NC1=NC=CC=C1O BB20-6648 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.86 CC1=C(CC(=O)Cl)C=CC=C1 BB58-4047 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.86 NC(=O)CC1=CC=CC=C1O BB57-7069 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 BB20-1588 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 BB01-6130 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.86 O=C(O)CC1=CC=CC=C1Cl BB01-6128 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.86 O=C(O)CC1=CC=CC=C1F BB01-6129 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.157 CC(=O)CC1=NC=CC(C)=C1 BB55-6190 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 BB20-0245 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.157 CC(=O)NC1=CC(Cl)=CC=C1 BB20-0244 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.157 CC(=O)NC1=CC=CC(C)=N1 BB58-5319 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BB57-6667 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 BB20-1584 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.157 O=C(Cl)CC1=CC=CC(O)=C1 BB58-5014 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 BB01-6066 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.12 N#C\C(=C/[O-])C1=CC=CC=C1 BB57-4207 [0,1,0,0,1,0|0,0,2]=4 66 B13R1.351 CN(\N=C\C1=CC=CC=C1)C(=N)N BB58-0687 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 BB55-4703 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O BB55-0550 [0,2,0,0,0,0|1,0,1]=4 69 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O BB01-7971 [0,2,0,0,0,0|1,0,1]=4 70 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O BB55-0093 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 BB55-4710 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 BB55-0546 [0,2,0,0,0,0|1,0,1]=4 73 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 BB57-6641 [0,2,0,0,0,0|1,0,1]=4 74 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 BB55-4705 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(=O)O BB55-0656 [0,2,0,0,0,0|1,0,1]=4 76 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(N)=O BB55-2909 [0,2,0,0,0,0|1,0,1]=4 77 B13R1.148 CC1=CC(OC(C)C(=O)O)=CC=C1 BB55-0545 [0,2,0,0,0,0|1,0,1]=4 78 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 BB55-4717 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.148 O=C(O)C(=O)NC1=CC(F)=CC=C1 BB55-4702 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.202 CC(OC1=C(Cl)C=CC=C1)C(=O)O BB55-0552 [0,2,0,0,0,0|1,0,1]=4 81 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)O BB55-0655 [0,2,0,0,0,0|1,0,1]=4 82 B13R1.202 CC1=C(NC(=O)C(=O)O)C=CC=C1 BB55-4721 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)Cl BB55-5606 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O BB55-0544 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.202 O=C(O)C(=O)NC1=C(Cl)C=CC=C1 BB55-4715 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.202 O=C(O)C(=O)NC1=C(F)C=CC=C1 BB55-4696 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O BB57-4097 [0,2,0,0,0,0|1,0,1]=4 88 B11R2.1 CC1=CNC2=CC=CC=C12 BB01-6044 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.1 O=C1NNC2=C1C=CC=C2 BB20-2294 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.1 O=C1NSC2=CC=CC=C12 BB01-6797 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.1 O=C1OCC2=C1C=CC=C2 BB01-6204 [1,0,0,1,0,0|1,0,1]=4 92 B11R2.10 CC1=NC2=C(C=CC=C2)S1 BB01-7803 [1,0,0,1,0,0|1,1,0]=4 93 B11R2.10 O=C1CC2=C(C=CC=C2)C1 BB01-8363 [1,0,0,1,0,0|0,0,1]=3 94 B11R2.36 CC1=CC=C2NC=CC2=C1 BB01-8311 [0,0,0,1,1,0|2,0,0]=4 95 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 BB57-5357 [0,0,0,1,0,1|2,0,0]=4 96 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 BB17-0559 [0,0,0,1,0,1|1,0,0]=3 97 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 BB58-0123 [0,0,0,1,0,1|2,0,0]=4 98 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 BB57-7194 [0,0,0,1,0,1|0,0,1]=3 99 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 BB01-5679 [0,0,0,1,0,1|0,0,2]=4 100 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BB57-0554 [0,0,0,1,0,1|1,0,1]=4 101 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 BB01-5977 [0,0,0,1,0,1|1,0,0]=3 102 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 BB01-4561 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 BB01-4547 [0,1,0,1,0,0|1,0,0]=3 104 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 BB17-2375 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 BB01-8370 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 BB01-2812 [0,1,0,1,0,0|1,0,1]=4 107 B13R2.328 ClC1=CC2=C(C=CC=C2)C(Cl)=N1 BB01-5981 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.328 O=C1N=C(S)SC2=CC=CC=C12 BB52-7606 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 BB01-7785 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.328 O=C1NC(S)=NC2=C1C=CC=C2 BB57-2391 [0,1,0,1,0,0|2,0,0]=4 111 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 BB58-1337 [0,1,0,1,0,0|0,0,2]=4 112 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 BB57-6214 [0,1,0,1,0,0|1,0,0]=3 113 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl BB57-5138 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.369 CC1=NC2=CC=CC=C2NC1=O BB01-2991 [0,1,0,1,0,0|1,0,0]=3 115 B13R2.369 CC1NC2=CC=CC=C2NC1=O BB58-4464 [0,1,0,1,0,0|1,0,1]=4 116 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 BB01-3362 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 BB55-8425 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 BB01-4568 [0,1,0,1,0,0|1,0,0]=3 119 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BB57-1578 [0,1,0,1,0,0|1,0,0]=3 120 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O BB01-4591 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O BB17-2253 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O BB01-6339 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O BB01-6331 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.3683 CC1=CC2=CC=C(C)N=C2C=C1 BB17-2145 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 BB17-0560 [0,1,0,1,0,0|1,0,0]=3 126 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 BB57-6846 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 BB57-0154 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O BB01-4994 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 BB55-7384 [0,1,0,1,0,0|1,0,0]=3 130 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O BB01-4590 [0,1,0,1,0,0|2,0,0]=4 131 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O BB01-4214 [0,1,0,1,0,0|2,0,0]=4 132 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O BB55-8108 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.12 O=C\C=C\C1=CC=CO1 BB01-6397 [1,0,0,0,1,0|1,0,0]=3 134 B9R1.6 CC(=O)C1=NC=CN=C1 BB01-0984 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.6 N=C(N)C1=CC=CC=C1 BB01-6195 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.6 NC(=O)C1=CC=CC=C1 BB01-2129 [1,0,0,0,1,0|1,0,0]=3 137 B9R1.6 NC(=O)C1=CC=CC=N1 BB01-5863 [1,0,0,0,1,0|2,0,0]=4 138 B9R1.6 NN(C)C1=CC=CC=C1 BB01-7902 [1,0,0,0,1,0|2,0,0]=4