0 B9R1.8 CCCC1=CC=CC=C1 27219 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 CCCC1=CC=CC=C1 29530 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.8 CCOC1=CC=CC=C1 30856 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CCOC1=NC=CC=C1 27481 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CNCC1=CC=CC=C1 23236 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CNCC1=CC=CN=C1 23300 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CNCC1=CC=NC=C1 23632 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CNCC1=NC=CC=C1 23554 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CNCC1=NC=CN=C1 17803 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 COCC1=CC=CN=C1 29457 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 COCC1=CC=NC=C1 29392 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 COCC1=NC=CC=C1 27516 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 NCCC1=CC=CC=C1 21747 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.8 NCCC1=NC=CN=C1 17453 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.8 NCCC1=NC=CN=C1 23818 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 NOCC1=CC=CC=C1 02279 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.8 OCCC1=CC=CC=C1 01623 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.8 ONCC1=CC=CC=C1 31261 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 O\N=C\C1=NC=CC=C1 00944 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.8 O\N=C\C1=NC=CC=C1 28129 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.8 S=C=NC1=CC=CC=C1 24479 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.2 BrCC1=CC=CC=C1 00332 [1,0,0,0,0,0|1,0,0]=2 22 B8R1.2 C#CC1=CC=CC=C1 24540 [1,0,0,0,0,0|0,0,2]=3 23 B8R1.2 CC[N+]1=CC=CC=C1 31419 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.2 CNC1=CN=CC=C1 18208 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 COC1=CC=CC=C1 02045 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.2 COC1=CC=NC=C1 28387 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 COC1=NC=CC=C1 27017 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 ClCC1=CC=CN=C1 06928 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 ClCC1=CC=NC=C1 06929 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 ClCC1=CN=CN=C1 24067 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 ClCC1=NC=CC=C1 06927 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 N#CC1=CC=CC=C1 27352 [1,0,0,0,0,0|0,0,2]=3 33 B8R1.2 N#CC1=CC=NC=C1 27057 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.2 NCC1=CC=CC=C1 29916 [1,0,0,0,0,0|0,0,0]=1 35 B8R1.2 NCC1=CC=CN=C1 27056 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.2 NCC1=CC=NC=C1 27066 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 NCC1=CC=NC=C1 28201 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.2 NCC1=CN=CC=N1 23715 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 NCC1=NC=CC=N1 18223 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 NCC1=NC=CC=N1 23716 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 NNC1=CC=CC=C1 02348 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.2 NNC1=CN=CC=N1 17541 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 NNC1=NC=CC=N1 25034 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 O=CC1=CC=NC=C1 07252 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 O=CC1=NC=CC=C1 02023 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 OCC1=CC=CC=C1 00371 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.2 OCC1=CC=CN=C1 27054 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 OCC1=CC=CN=N1 26187 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 OCC1=CC=NC=C1 12966 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 OCC1=CN=CN=C1 26173 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.1 CCOC1=CC=C(Br)C=N1 25744 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.1 CCOC1=CC=C(N)C=N1 28529 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.1 FC1=CC=C(N=C=S)C=C1 26922 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [0,1,0,0,0,0|0,0,0]=1 57 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [0,1,0,0,0,0|0,0,0]=1 58 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [0,1,0,0,0,0|0,0,0]=1 59 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [0,1,0,0,0,0|0,0,0]=1 60 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [0,1,0,0,0,0|1,0,1]=3 61 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [0,1,0,0,0,0|1,0,1]=3 62 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.4 CCOC1=C(Br)C=CC=N1 28270 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.4 CCOC1=C(Br)C=CN=C1 29223 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.4 CCOC1=CC=NC=C1N 28271 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [0,1,0,0,0,0|0,0,0]=1 67 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.4 NOCC1=CC=CC=C1F 29333 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 24130 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.4 O\N=C\C1=C(O)C=CC=C1 22050 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.10 CCOC1=CC=NC(N)=C1 18996 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.10 CCOC1=NC(Br)=CC=C1 28276 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.10 CCOC1=NC(N)=CC=C1 17759 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.10 CCOC1=NC=CC(N)=C1 17650 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [0,1,0,0,0,0|0,0,2]=3 79 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [0,1,0,0,0,0|0,0,2]=3 80 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [0,1,0,0,0,0|0,0,2]=3 81 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [0,1,0,0,0,0|1,0,1]=3 83 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [0,1,0,0,0,0|0,0,0]=1 87 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.15 NNC(=O)C1=CC=NC=C1 24518 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [0,1,0,0,0,0|1,0,1]=3 94 B10R1.15 O=C(CBr)C1=CC=CC=N1 28615 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.15 O=C(CBr)C1=CN=CC=C1 24916 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [0,1,0,0,0,0|1,0,1]=3 97 B10R1.15 O=NN([O-])C1=CC=CC=C1 24604 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.17 CCCCC1=CC=CC=C1 27221 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.17 CNCCC1=CC=CC=C1 23237 [0,1,0,0,0,0|0,0,0]=1 103 B10R1.17 CNCCC1=CC=CN=C1 23587 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.17 CNCCC1=CC=NC=C1 17201 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.17 CNCCC1=NC=CC=C1 23232 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.17 ClCC#CC1=CC=CC=C1 28941 [0,1,0,0,0,0|1,0,1]=3 107 B10R1.17 ClCOCC1=CC=CC=C1 00728 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.17 N#C\C=C\C1=CC=CC=C1 30870 [0,1,0,0,0,0|0,0,3]=4 109 B10R1.17 O=C\C=C\C1=CC=CC=C1 24523 [0,1,0,0,0,0|1,0,2]=4 110 B10R1.17 OCC#CC1=CC=CC=C1 27592 [0,1,0,0,0,0|1,0,1]=3 111 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.18 NC(=S)NC1=NC=CC=C1 24854 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.18 O=C(O)CC1=CC=CN=C1 27783 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.18 O=C(O)CC1=CC=NC=C1 28780 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.18 S=C(Cl)OC1=CC=CC=C1 26924 [0,1,0,0,0,0|2,0,1]=4 122 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [0,0,0,1,0,0|1,0,1]=3 123 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [0,0,0,1,0,0|0,0,2]=3 124 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [0,0,0,1,0,0|1,0,1]=3 125 B10R2.7 C1=CC2=C(C=C1)NN=N2 24501 [0,0,0,1,0,0|2,0,0]=3 126 B10R2.7 C1=CC2=C(C=CN2)C=N1 21558 [0,0,0,1,0,0|1,0,2]=4 127 B10R2.7 C1=CC2=C(C=CN2)N=C1 21569 [0,0,0,1,0,0|1,0,2]=4 128 B10R2.7 C1=CC2=C(C=N1)NC=C2 21567 [0,0,0,1,0,0|1,0,2]=4 129 B10R2.7 C1=CC2=C(C=N1)NN=C2 19838 [0,0,0,1,0,0|2,0,1]=4 130 B10R2.7 C1=CC2=C(CCC2)N=C1 26968 [0,0,0,1,0,0|2,0,0]=3 131 B10R2.7 C1=CC2=C(N=C1)NC=C2 21875 [0,0,0,1,0,0|1,0,2]=4 132 B10R2.7 C1=CC2=C(N=C1)NCC2 28977 [0,0,0,1,0,0|1,0,0]=2 133 B10R2.7 C1=CN=C2NN=CC2=C1 18514 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.8 CCCC1=NC=CN1 27740 [0,0,0,0,1,0|3,0,0]=4 135 B8R1.8 CCCN1C=CN=C1 27748 [0,0,0,0,1,0|3,0,0]=4 136 B8R1.8 CNCC1=CC=CS1 17366 [0,0,0,0,1,0|3,0,0]=4 137 B8R1.8 NCCC1=CNC=N1 00178 [0,0,0,0,1,0|2,0,0]=3 138 B8R1.8 NCCC1=CNC=N1 21888 [0,0,0,0,1,0|2,0,0]=3 139 B8R1.8 NCCC1=CNC=N1 32474 [0,0,0,0,1,0|2,0,0]=3 140 B8R1.8 NCCC1=CON=C1 18732 [0,0,0,0,1,0|2,0,0]=3 141 B8R1.8 NCCC1=CSC=C1 26286 [0,0,0,0,1,0|1,0,0]=2 142 B8R1.8 NCCC1=NC=CS1 18801 [0,0,0,0,1,0|2,0,0]=3 143 B8R1.8 NCCN1C=CN=C1 23546 [0,0,0,0,1,0|2,0,0]=3 144 B8R1.8 NCCN1C=CN=C1 23717 [0,0,0,0,1,0|2,0,0]=3 145 B8R1.8 NCCN1C=NC=N1 17181 [0,0,0,0,1,0|3,0,0]=4 146 B8R1.8 OCCC1=CNN=C1 17325 [0,0,0,0,1,0|3,0,0]=4 147 B7R1.3 BrC1=CC=CN=C1 27044 [2,0,0,0,0,0|2,0,0]=4 148 B7R1.3 BrC1=CC=CN=C1 29560 [2,0,0,0,0,0|2,0,0]=4 149 B7R1.3 BrC1=CC=NC=C1 28252 [2,0,0,0,0,0|2,0,0]=4 150 B7R1.3 BrC1=NC=CC=C1 30363 [2,0,0,0,0,0|2,0,0]=4 151 B7R1.3 CC1=CC=CC=C1 01740 [2,0,0,0,0,0|0,0,0]=2 152 B7R1.3 CC1=CC=CC=C1 30234 [2,0,0,0,0,0|0,0,0]=2 153 B7R1.3 CC1=CC=CN=C1 27052 [2,0,0,0,0,0|1,0,0]=3 154 B7R1.3 CC1=CC=NC=C1 29179 [2,0,0,0,0,0|1,0,0]=3 155 B7R1.3 CC1=NC=CC=C1 27038 [2,0,0,0,0,0|1,0,0]=3 156 B7R1.3 CC1=NC=CN=C1 31194 [2,0,0,0,0,0|2,0,0]=4 157 B7R1.3 ClC1=CC=CN=C1 27046 [2,0,0,0,0,0|2,0,0]=4 158 B7R1.3 ClC1=CC=NC=C1 27337 [2,0,0,0,0,0|2,0,0]=4 159 B7R1.3 ClC1=NC=CC=C1 32073 [2,0,0,0,0,0|2,0,0]=4 160 B7R1.3 FC1=CC=CN=C1 27045 [2,0,0,0,0,0|2,0,0]=4 161 B7R1.3 FC1=NC=CC=C1 27001 [2,0,0,0,0,0|2,0,0]=4 162 B7R1.3 IC1=CC=CC=N1 30769 [2,0,0,0,0,0|2,0,0]=4 163 B7R1.3 IC1=CC=CN=C1 22280 [2,0,0,0,0,0|2,0,0]=4 164 B7R1.3 NC1=CC=NC=C1 27983 [2,0,0,0,0,0|1,0,0]=3 165 B7R1.3 NC1=CC=NN=C1 20858 [2,0,0,0,0,0|2,0,0]=4 166 B7R1.3 NC1=CN=CN=C1 19494 [2,0,0,0,0,0|2,0,0]=4 167 B7R1.3 NC1=NC=CC=C1 27027 [2,0,0,0,0,0|1,0,0]=3 168 B7R1.3 NC1=NC=CN=C1 24511 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.3 OC1=CC=CN=C1 02324 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.3 OC1=NC=CC=C1 02323 [2,0,0,0,0,0|2,0,0]=4 171 B7R1.3 SC1=NC=CC=C1 12993 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.3 [O-][N+]1=CC=CC=C1 26988 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.3 [SiH3]C1=CC=CC=C1 31483 [2,0,0,0,0,0|0,1,0]=3 174 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [1,1,0,0,0,0|1,0,0]=3 175 B9R1.1 C#CC1=CC=C(N)C=C1 28132 [1,1,0,0,0,0|0,0,2]=4 176 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [1,1,0,0,0,0|1,0,0]=3 177 B9R1.1 CC1=CC=C(CO)C=C1 15163 [1,1,0,0,0,0|1,0,0]=3 178 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [1,1,0,0,0,0|0,0,0]=2 179 B9R1.1 CNC1=CC=C(O)C=C1 32029 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.1 COC1=CC=C(Br)C=C1 30359 [1,1,0,0,0,0|1,0,0]=3 181 B9R1.1 COC1=CC=C(Br)C=N1 28496 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.1 COC1=CC=C(C)C=C1 27173 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.1 COC1=CC=C(C)C=N1 29129 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.1 COC1=CC=C(C)N=C1 29217 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.1 COC1=CC=C(F)C=C1 30024 [1,1,0,0,0,0|1,0,0]=3 186 B9R1.1 COC1=CC=C(I)C=N1 29054 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.1 COC1=CC=C(I)N=C1 10588 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.1 COC1=CC=C(N)N=C1 26213 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.1 COC1=CC=[N+]([O-])C=C1 26996 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.1 COC1=CN=C(Cl)C=C1 28971 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.1 COC1=NC=C(Cl)C=C1 19104 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.1 COC1=NC=C(N)C=C1 27019 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.1 ClCC1=CN=C(Cl)C=C1 27917 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.1 NC1=CC=C(CCl)N=C1 29166 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.1 NC1=CC=C(CO)C=C1 29757 [1,1,0,0,0,0|1,0,0]=3 196 B9R1.1 NCC1=CC=C(Br)N=C1 19332 [1,1,0,0,0,0|1,0,0]=3 197 B9R1.1 NCC1=CC=C(O)C=C1 17203 [1,1,0,0,0,0|0,0,0]=2 198 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [1,1,0,0,0,0|1,0,0]=3 199 B9R1.1 NNC1=CC=C(F)C=C1 31299 [1,1,0,0,0,0|1,0,0]=3 200 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [1,1,0,0,0,0|1,0,1]=4 201 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [1,1,0,0,0,0|1,0,1]=4 202 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [1,1,0,0,0,0|1,0,1]=4 203 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [1,1,0,0,0,0|1,0,1]=4 204 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [1,1,0,0,0,0|1,0,1]=4 205 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [1,1,0,0,0,0|1,0,1]=4 206 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.1 OCC1=CC=C(F)C=C1 30025 [1,1,0,0,0,0|1,0,0]=3 208 B9R1.1 OCC1=CC=C(O)C=C1 00198 [1,1,0,0,0,0|1,0,0]=3 209 B9R1.1 OCC1=CN=C(Br)C=C1 17561 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.1 OCC1=NC=C(Cl)C=C1 26335 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.2 BrCC1=CC(Br)=CC=C1 00425 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.2 C#CC1=CC=CC(N)=C1 27389 [1,1,0,0,0,0|0,0,2]=4 213 B9R1.2 CC1=CC(CN)=NC=C1 26193 [1,1,0,0,0,0|1,0,0]=3 214 B9R1.2 CC1=CN=CC(CCl)=C1 29342 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.2 CC1=NC(CCl)=CC=C1 28539 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.2 CC1=NC(CN)=CC=C1 17766 [1,1,0,0,0,0|1,0,0]=3 217 B9R1.2 CCC1=CC(Br)=NC=C1 28599 [1,1,0,0,0,0|1,0,0]=3 218 B9R1.2 CCC1=CC(N)=NC=C1 27934 [1,1,0,0,0,0|1,0,0]=3 219 B9R1.2 CCC1=CC=CC(Br)=C1 28104 [1,1,0,0,0,0|0,0,0]=2 220 B9R1.2 CCC1=CC=CC(O)=C1 26816 [1,1,0,0,0,0|0,0,0]=2 221 B9R1.2 CCC1=CC=CC(O)=C1 29553 [1,1,0,0,0,0|0,0,0]=2 222 B9R1.2 CCC1=NC(C)=CC=C1 27484 [1,1,0,0,0,0|1,0,0]=3 223 B9R1.2 COC1=CC(Br)=NC=C1 28934 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.2 COC1=CC(Cl)=CC=N1 17704 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.2 COC1=CC(N)=CC=N1 17450 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.2 COC1=CC(N)=NC=C1 26221 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.2 COC1=CC=CC(Br)=C1 21480 [1,1,0,0,0,0|1,0,0]=3 228 B9R1.2 COC1=CC=CC(C)=N1 28841 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.2 COC1=CC=CC(Cl)=C1 26754 [1,1,0,0,0,0|1,0,0]=3 230 B9R1.2 COC1=CC=CC(F)=C1 30017 [1,1,0,0,0,0|1,0,0]=3 231 B9R1.2 COC1=CC=CC(N)=N1 17159 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.2 COC1=CC=CC(O)=C1 00432 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.2 COC1=CC=NC(Cl)=C1 26079 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.2 COC1=NC(Br)=CC=C1 27894 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.2 COC1=NC(Cl)=CC=C1 27020 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.2 COC1=NC=CC(C)=C1 28913 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.2 ClC1=CC(CBr)=CC=C1 14035 [1,1,0,0,0,0|1,0,0]=3 238 B9R1.2 FC1=CC(CBr)=CC=C1 07254 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.2 N#CC1=CC=CC(N)=C1 27142 [1,1,0,0,0,0|0,0,2]=4 240 B9R1.2 NCC1=CC(I)=CC=C1 28182 [1,1,0,0,0,0|0,0,0]=2 241 B9R1.2 NCC1=CC=CC(I)=C1 27339 [1,1,0,0,0,0|0,0,0]=2 242 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [1,1,0,0,0,0|1,0,1]=4 243 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [1,1,0,0,0,0|1,0,1]=4 246 B9R1.2 OCC1=CC(F)=CC=C1 31155 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.2 OCC1=NC(Br)=CC=C1 24708 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [1,1,0,0,0,0|0,0,1]=3 249 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [1,1,0,0,0,0|0,0,1]=3 250 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [1,1,0,0,0,0|1,0,1]=4 251 B9R1.6 CC(N)C1=CC=NC=C1 17007 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.6 CC(N)C1=CN=CC=C1 17106 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.6 CC(N)C1=NC=CC=C1 17105 [1,1,0,0,0,0|1,0,0]=3 254 B9R1.6 CN(C)C1=CC=NC=C1 00120 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.6 CN(C)C1=CC=NC=C1 30845 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.6 CN(C)C1=CC=NC=C1 30846 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [1,1,0,0,0,0|0,0,0]=2 258 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [1,1,0,0,0,0|0,0,0]=2 259 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [1,1,0,0,0,0|0,0,1]=3 260 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [1,1,0,0,0,0|0,0,1]=3 261 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [1,1,0,0,0,0|1,0,1]=4 262 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [1,1,0,0,0,0|1,0,1]=4 266 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [1,1,0,0,0,0|1,0,1]=4 268 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [1,1,0,0,0,0|1,0,1]=4 269 B9R1.6 OB(O)C1=CC=CC=C1 26799 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.6 OB(O)C1=CC=CC=C1 29551 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [1,1,0,0,0,0|1,0,0]=3 272 B9R1.15 CC1=C(CN)C=CN=C1 18175 [1,1,0,0,0,0|1,0,0]=3 273 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [1,1,0,0,0,0|1,0,0]=3 274 B9R1.15 CCC1=C(O)C=CC=C1 26809 [1,1,0,0,0,0|0,0,0]=2 275 B9R1.15 COC1=C(Br)C=CC=C1 30420 [1,1,0,0,0,0|1,0,0]=3 276 B9R1.15 COC1=C(Cl)N=CC=C1 28752 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.15 COC1=C(F)C=CC=C1 30023 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.15 COC1=C(I)C=CC=C1 26768 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.15 COC1=C(I)C=CC=N1 17151 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.15 COC1=C(I)N=CC=C1 17657 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.15 COC1=C(N)C=CN=C1 26333 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.15 COC1=CC=CN=C1Br 17332 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.15 COC1=CC=CN=C1C 27922 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.15 COC1=CC=CN=C1N 26214 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.15 COC1=CC=NC=C1Br 18025 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.15 COC1=CC=NC=C1I 20132 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.15 COC1=CC=NC=C1N 26215 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.15 COC1=NC=CC=C1Br 18024 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.15 COC1=NC=CC=C1N 30330 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [1,1,0,0,0,0|1,0,0]=3 291 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [1,1,0,0,0,0|0,0,2]=4 293 B9R1.15 NC1=C(CCl)C=CC=N1 18029 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.15 NC1=C(CO)C=CC=N1 17074 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.15 NC1=CN=CC=C1CO 17398 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.15 NCC1=C(Cl)C=CC=N1 19564 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [1,1,0,0,0,0|1,0,0]=3 298 B9R1.15 NNC1=C(Cl)C=CC=N1 26149 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.15 O=CC1=C(Br)C=CC=C1 21252 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.15 O=CC1=C(F)C=CC=C1 30013 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [1,1,0,0,0,0|1,0,1]=4 302 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [1,1,0,0,0,0|1,0,0]=3 303 B9R1.15 OCC1=C(F)C=CC=C1 31154 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.15 OCC1=CC=CN=C1Cl 17223 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.15 OCC1=NC=CC=C1O 27043 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.15 [O-][N+]1=CC=CC=C1CCl 26338 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.12 CNCCC1=CC=CS1 20794 [0,1,0,0,1,0|1,0,0]=3 308 B9R1.13 CC(N)CN1C=CN=C1 23766 [0,1,0,0,1,0|2,0,0]=4 309 B9R1.33 CC1=C(CCN)SC=N1 26241 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.1 CCCCC1=CN=C(C)C=C1 21390 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31416 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31418 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.1 CNCCC1=CC=C(Cl)C=C1 18383 [0,2,0,0,0,0|0,0,0]=2 314 B11R1.1 CNCCC1=CC=C(O)C=C1 21452 [0,2,0,0,0,0|0,0,0]=2 315 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 30440 [0,2,0,0,0,0|1,0,1]=4 316 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 21980 [0,2,0,0,0,0|1,0,1]=4 317 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 20841 [0,2,0,0,0,0|1,0,1]=4 318 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 24846 [0,2,0,0,0,0|1,0,1]=4 319 B11R1.20 CN(C)CC1=CC=C(N)C=C1 18995 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 24847 [0,2,0,0,0,0|1,0,1]=4 321 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 24848 [0,2,0,0,0,0|1,0,1]=4 322 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 02881 [0,2,0,0,0,0|1,0,1]=4 323 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 26910 [0,2,0,0,0,0|1,0,1]=4 324 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 21248 [0,2,0,0,0,0|1,0,1]=4 325 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 27878 [0,2,0,0,0,0|1,0,1]=4 326 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 21242 [0,2,0,0,0,0|1,0,1]=4 327 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 28402 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 30849 [0,2,0,0,0,0|1,0,1]=4 329 B11R1.22 CC1=CC=C(C(O)CN)C=C1 23754 [0,2,0,0,0,0|0,0,0]=2 330 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 30414 [0,2,0,0,0,0|1,0,1]=4 331 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 26760 [0,2,0,0,0,0|1,0,1]=4 332 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 24955 [0,2,0,0,0,0|1,0,1]=4 333 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 30432 [0,2,0,0,0,0|1,0,1]=4 334 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 28481 [0,2,0,0,0,0|0,0,1]=3 335 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 23683 [0,2,0,0,0,0|0,0,0]=2 336 B11R1.22 NCC(O)C1=CC=C(F)C=C1 23414 [0,2,0,0,0,0|0,0,0]=2 337 B11R1.22 NCC(O)C1=CC=C(O)C=C1 30438 [0,2,0,0,0,0|0,0,0]=2 338 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 24950 [0,2,0,0,0,0|1,0,1]=4 339 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 27125 [0,2,0,0,0,0|1,0,1]=4 340 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 24437 [0,2,0,0,0,0|1,0,1]=4 341 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 26759 [0,2,0,0,0,0|1,0,1]=4 342 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 27587 [0,2,0,0,0,0|1,0,1]=4 343 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 30340 [0,2,0,0,0,0|1,0,1]=4 344 B11R1.81 CCNC1=C(Cl)C=C(Cl)C=C1 18231 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.81 ONCC1=C(Cl)C=C(Cl)C=C1 29482 [0,2,0,0,0,0|2,0,0]=4 346 B11R1.83 CCC1=CN=C(CCO)C=C1 24156 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.83 CCOC1=CC=C(C=O)C=C1 26882 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.192 CCNC1=CC(Cl)=C(Cl)C=C1 18259 [0,2,0,0,0,0|2,0,0]=4 349 B11R1.192 NCCC1=CC=C(O)C(O)=C1 11757 [0,2,0,0,0,0|0,0,0]=2 350 B11R1.13 CCNC1=C(Cl)C(Cl)=CC=C1 18230 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.41 CCOC1=C(C=O)C=CC=C1 26869 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.41 COC1=C(CCN)C=CC=C1 32490 [0,2,0,0,0,0|0,0,0]=2 353 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [0,2,0,0,0,0|1,0,1]=4 354 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [0,2,0,0,0,0|1,0,1]=4 355 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [0,2,0,0,0,0|1,0,1]=4 356 B11R1.86 CN(C)CC1=C(N)C=CC=C1 20019 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 20803 [0,2,0,0,0,0|1,0,1]=4 358 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 20806 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 24851 [0,2,0,0,0,0|1,0,1]=4 360 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21246 [0,2,0,0,0,0|1,0,1]=4 361 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.182 CCNC1=C(Cl)C=CC(Cl)=C1 18232 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 27388 [0,2,0,0,0,0|1,0,1]=4 364 B11R1.222 CC1=C(C(O)CN)C=CC=C1 23756 [0,2,0,0,0,0|0,0,0]=2 365 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 23687 [0,2,0,0,0,0|0,0,0]=2 366 B11R1.605 CCNC1=C(Cl)C=CC=C1Cl 18234 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 27232 [0,2,0,0,0,0|1,0,1]=4 368 B11R1.23 NCC(O)C1=CC=CC(O)=C1 32497 [0,2,0,0,0,0|0,0,0]=2 369 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 25032 [0,2,0,0,0,0|1,0,1]=4 370 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 27875 [0,2,0,0,0,0|1,0,1]=4 371 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 24427 [0,2,0,0,0,0|1,0,1]=4 372 B11R1.24 CCCCC1=NC(N)=CC=C1 24057 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.24 CNCCC1=CC(C)=CC=C1 19438 [0,2,0,0,0,0|0,0,0]=2 374 B11R1.34 CCNC1=CC(Cl)=CC(Cl)=C1 18260 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.157 CC(C)NC1=CC(F)=CC=C1 17554 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 24850 [0,2,0,0,0,0|1,0,1]=4 377 B11R1.157 CN(C)CC1=CC(N)=CC=C1 20128 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 28948 [0,2,0,0,0,0|0,0,1]=3 379 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 28953 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 27657 [0,2,0,0,0,0|1,0,1]=4 381 B11R1.189 CCOC1=CC=CC(C=O)=C1 27412 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.189 COC1=CC=CC(CC#N)=C1 26793 [0,2,0,0,0,0|0,0,2]=4 383 B11R1.189 COC1=CC=CC(CCN)=C1 32493 [0,2,0,0,0,0|0,0,0]=2 384 B11R1.7 CC(O)(CN)C1=CC=CC=C1 19753 [0,2,0,0,0,0|0,0,0]=2 385 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 27505 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 27122 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.12 COC(OC)C1=CC=CC=C1 27180 [0,2,0,0,0,0|2,0,0]=4 388 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 16597 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.16 COC[C@H](N)C1=CC=CC=C1 16561 [0,2,0,0,0,0|1,0,0]=3 390 B11R1.16 N#CCC(=O)C1=CC=CC=C1 24454 [0,2,0,0,0,0|0,0,2]=4 391 B11R1.16 N#CCC(O)C1=CC=CC=C1 18031 [0,2,0,0,0,0|0,0,1]=3 392 B11R1.16 NCCC(O)C1=CC=CC=C1 18858 [0,2,0,0,0,0|0,0,0]=2 393 B11R1.16 O=C(CCCl)C1=CC=CC=C1 26765 [0,2,0,0,0,0|1,0,0]=3 394 B11R1.16 O=C(OCCl)C1=CC=CC=C1 19364 [0,2,0,0,0,0|1,0,1]=4 395 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 17905 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 24586 [0,2,0,0,0,0|1,0,1]=4 397 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 24585 [0,2,0,0,0,0|1,0,1]=4 398 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 11689 [0,2,0,0,0,0|0,0,1]=3 399 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 16622 [0,2,0,0,0,0|0,0,1]=3 400 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 11670 [0,2,0,0,0,0|0,0,1]=3 401 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 03537 [0,2,0,0,0,0|1,0,1]=4 402 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 01317 [0,2,0,0,0,0|1,0,1]=4 403 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27521 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27766 [0,2,0,0,0,0|1,0,1]=4 405 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 12130 [0,2,0,0,0,0|1,0,1]=4 406 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24590 [0,2,0,0,0,0|1,0,1]=4 407 B11R1.28 BrCCOCC1=CC=CC=C1 14427 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.28 CNCCCC1=CC=CC=C1 23460 [0,2,0,0,0,0|0,0,0]=2 409 B11R1.28 NCCSSC1=NC=CC=C1 23100 [0,2,0,0,0,0|1,0,0]=3 410 B11R1.28 OCCOCC1=CC=CC=C1 21183 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.40 CC(CN)OC1=CC=CC=C1 23800 [0,2,0,0,0,0|0,0,0]=2 412 B11R1.40 CC(CN)OC1=CC=CN=C1 23692 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [0,2,0,0,0,0|1,0,1]=4 414 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [0,2,0,0,0,0|0,0,0]=2 415 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [0,2,0,0,0,0|0,0,0]=2 416 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [0,2,0,0,0,0|0,0,0]=2 417 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [0,2,0,0,0,0|1,0,1]=4 418 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.91 NC(=O)OCC1=CC=CC=C1 27153 [0,2,0,0,0,0|0,0,1]=3 420 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [0,2,0,0,0,0|1,0,0]=3 421 B11R1.91 O=C(O)CNC1=CC=CC=C1 03076 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.91 O=C([O-])COC1=CC=CC=C1 01413 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 16519 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30365 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30411 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30415 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30417 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31554 [0,2,0,0,0,0|2,0,0]=4 429 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31555 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31917 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 23234 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 00632 [0,2,0,0,0,0|2,0,0]=4 433 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 21843 [0,1,0,1,0,0|0,0,2]=4 434 B11R2.36 BrC1=CC2=C(C=C1)NCC2 17214 [0,1,0,1,0,0|0,0,0]=2 435 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 21869 [0,1,0,1,0,0|0,0,2]=4 436 B11R2.36 BrC1=CC=C2C=NNC2=C1 17753 [0,1,0,1,0,0|1,0,1]=4 437 B11R2.36 BrC1=CC=C2CCNC2=C1 20490 [0,1,0,1,0,0|0,0,0]=2 438 B11R2.36 BrC1=CC=C2NN=CC2=C1 17213 [0,1,0,1,0,0|1,0,1]=4 439 B11R2.36 CC1=CC2=C(C=C1)C=NN2 26232 [0,1,0,1,0,0|1,0,1]=4 440 B11R2.36 CC1=CC2=C(C=C1)NC=C2 21951 [0,1,0,1,0,0|0,0,2]=4 441 B11R2.36 CC1=CC2=C(C=C1)NCC2 19131 [0,1,0,1,0,0|0,0,0]=2 442 B11R2.36 CC1=CC2=C(C=CN2)C=C1 21874 [0,1,0,1,0,0|0,0,2]=4 443 B11R2.36 CC1=CC=C2NN=CC2=C1 19130 [0,1,0,1,0,0|1,0,1]=4 444 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 21871 [0,1,0,1,0,0|0,0,2]=4 445 B11R2.36 ClC1=CC2=C(C=C1)NN=N2 26964 [0,1,0,1,0,0|2,0,0]=4 446 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 21894 [0,1,0,1,0,0|0,0,2]=4 447 B11R2.36 ClC1=CC=C2C=NNC2=C1 29042 [0,1,0,1,0,0|1,0,1]=4 448 B11R2.36 ClC1=CC=C2CCNC2=C1 20514 [0,1,0,1,0,0|0,0,0]=2 449 B11R2.36 ClC1=CC=C2NCCC2=C1 17280 [0,1,0,1,0,0|0,0,0]=2 450 B11R2.36 FC1=CC2=C(C=C1)CCN2 19213 [0,1,0,1,0,0|0,0,0]=2 451 B11R2.36 FC1=CC2=C(C=C1)NC=C2 01691 [0,1,0,1,0,0|0,0,2]=4 452 B11R2.36 FC1=CC2=C(C=C1)NN=C2 17282 [0,1,0,1,0,0|1,0,1]=4 453 B11R2.36 FC1=CC2=C(C=CN2)C=C1 21852 [0,1,0,1,0,0|0,0,2]=4 454 B11R2.36 FC1=CC=C2C=NNC2=C1 20527 [0,1,0,1,0,0|1,0,1]=4 455 B11R2.36 FC1=CC=C2NCCC2=C1 17283 [0,1,0,1,0,0|0,0,0]=2 456 B11R2.36 IC1=CC2=C(C=C1)C=NN2 20538 [0,1,0,1,0,0|1,0,1]=4 457 B11R2.36 IC1=CC=C2CCNC2=C1 20539 [0,1,0,1,0,0|0,0,0]=2 458 B11R2.36 IC1=CC=C2NC=CC2=C1 21574 [0,1,0,1,0,0|0,0,2]=4 459 B11R2.36 NC1=CC2=C(C=C1)C=NN2 26963 [0,1,0,1,0,0|1,0,1]=4 460 B11R2.36 NC1=CC2=C(C=C1)CCN2 21317 [0,1,0,1,0,0|0,0,0]=2 461 B11R2.36 NC1=CC2=C(C=C1)NC=C2 20909 [0,1,0,1,0,0|0,0,2]=4 462 B11R2.36 NC1=CC2=C(C=C1)NC=C2 21081 [0,1,0,1,0,0|0,0,2]=4 463 B11R2.36 NC1=CC2=C(C=C1)NC=C2 21897 [0,1,0,1,0,0|0,0,2]=4 464 B11R2.36 NC1=CC2=C(C=C1)NCC2 21080 [0,1,0,1,0,0|0,0,0]=2 465 B11R2.36 NC1=CC2=C(C=C1)NN=C2 29953 [0,1,0,1,0,0|1,0,1]=4 466 B11R2.36 NC1=CC=C2C=CNC2=C1 21832 [0,1,0,1,0,0|0,0,2]=4 467 B11R2.36 OC1=CC2=C(C=C1)C=NN2 27473 [0,1,0,1,0,0|1,0,1]=4 468 B11R2.36 OC1=CC2=C(C=C1)N=CN2 26334 [0,1,0,1,0,0|1,0,1]=4 469 B11R2.36 OC1=CC2=C(C=C1)NC=C2 21844 [0,1,0,1,0,0|0,0,2]=4 470 B11R2.36 OC1=CC2=C(C=CN2)C=C1 21936 [0,1,0,1,0,0|0,0,2]=4 471 B11R2.10 CC1=CC2=C(C=CC=C2)N1 12992 [0,1,0,1,0,0|0,0,2]=4 472 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 31112 [0,1,0,1,0,0|1,0,1]=4 473 B11R2.10 NC1=NC2=C(C=CC=C2)N1 26960 [0,1,0,1,0,0|1,0,1]=4 474 B11R2.10 NC1CC2=C(C=CC=C2)C1 17047 [0,1,0,1,0,0|0,0,0]=2 475 B11R2.10 NC1CC2=C(C=CC=C2)C1 29942 [0,1,0,1,0,0|0,0,0]=2 476 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [0,1,0,1,0,0|1,0,1]=4 477 B11R2.10 O=C1CC2=C(C=CC=C2)N1 32065 [0,1,0,1,0,0|0,0,1]=3 478 B11R2.10 O=C1NC2=C(C=CC=C2)N1 32064 [0,1,0,1,0,0|1,0,1]=4 479 B11R2.10 OC1CC2=C(C=CC=C2)C1 07203 [0,1,0,1,0,0|1,0,0]=3 480 B11R2.10 S=C1NC2=C(C=CC=C2)N1 28342 [0,1,0,1,0,0|1,0,1]=4 481 B11R2.106 BrC1=C2CCNC2=CC=C1 20239 [0,1,0,1,0,0|0,0,0]=2 482 B11R2.106 BrC1=C2NN=CC2=CC=C1 20581 [0,1,0,1,0,0|1,0,1]=4 483 B11R2.106 BrC1=CC=CC2=C1C=CN2 21855 [0,1,0,1,0,0|0,0,2]=4 484 B11R2.106 BrC1=CC=CC2=C1C=NN2 20238 [0,1,0,1,0,0|1,0,1]=4 485 B11R2.106 BrC1=CC=CC2=C1NC=C2 21929 [0,1,0,1,0,0|0,0,2]=4 486 B11R2.106 CC1=C2NCCC2=CC=C1 20604 [0,1,0,1,0,0|0,0,0]=2 487 B11R2.106 CC1=CC=CC2=C1C=CN2 21994 [0,1,0,1,0,0|0,0,2]=4 488 B11R2.106 CC1=CC=CC2=C1NC=C2 21895 [0,1,0,1,0,0|0,0,2]=4 489 B11R2.106 ClC1=C2CCNC2=CC=C1 17702 [0,1,0,1,0,0|0,0,0]=2 490 B11R2.106 ClC1=CC=CC2=C1C=CN2 21962 [0,1,0,1,0,0|0,0,2]=4 491 B11R2.106 ClC1=CC=CC2=C1NC=C2 21814 [0,1,0,1,0,0|0,0,2]=4 492 B11R2.106 ClC1=CC=CC2=C1NN=C2 19251 [0,1,0,1,0,0|1,0,1]=4 493 B11R2.106 FC1=C2C=NNC2=CC=C1 20287 [0,1,0,1,0,0|1,0,1]=4 494 B11R2.106 FC1=C2CCNC2=CC=C1 20288 [0,1,0,1,0,0|0,0,0]=2 495 B11R2.106 FC1=C2NN=CC2=CC=C1 24735 [0,1,0,1,0,0|1,0,1]=4 496 B11R2.106 FC1=CC=CC2=C1C=CN2 21803 [0,1,0,1,0,0|0,0,2]=4 497 B11R2.106 FC1=CC=CC2=C1NC=C2 21547 [0,1,0,1,0,0|0,0,2]=4 498 B11R2.106 IC1=C2CCNC2=CC=C1 20297 [0,1,0,1,0,0|0,0,0]=2 499 B11R2.106 NC1=CC=CC2=C1C=CN2 21898 [0,1,0,1,0,0|0,0,2]=4 500 B11R2.106 NC1=CC=CC2=C1C=NN2 26163 [0,1,0,1,0,0|1,0,1]=4 501 B11R2.106 OC1=CC=CC2=C1C=CN2 21841 [0,1,0,1,0,0|0,0,2]=4 502 B11R2.106 OC1=CC=CC2=C1NC=C2 21568 [0,1,0,1,0,0|0,0,2]=4 503 B11R2.106 OC1=CC=CC2=C1NN=C2 19834 [0,1,0,1,0,0|1,0,1]=4 504 B11R2.1 CC1=CNC2=C1C=CC=C2 21863 [0,1,0,1,0,0|0,0,2]=4 505 B11R2.1 CN1C=CC2=C1C=CC=C2 22008 [0,1,0,1,0,0|0,0,2]=4 506 B11R2.1 NC1=NNC2=C1C=CC=C2 23261 [0,1,0,1,0,0|1,0,1]=4 507 B11R2.1 NC1CCC2=NC=CC=C21 20462 [0,1,0,1,0,0|1,0,0]=3 508 B11R2.1 NC1COC2=CC=CC=C21 17963 [0,1,0,1,0,0|0,0,0]=2 509 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [0,1,0,1,0,0|1,0,0]=3 510 B11R2.1 O=C1CCC2=C1C=CC=N2 20461 [0,1,0,1,0,0|2,0,0]=4 511 B11R2.1 O=C1NCC2=CC=CC=C12 31367 [0,1,0,1,0,0|1,0,1]=4 512 B11R2.1 ON1N=NC2=C1C=CC=C2 24755 [0,1,0,1,0,0|2,0,0]=4 513 B11R2.1 ON1N=NC2=C1C=CC=C2 29819 [0,1,0,1,0,0|2,0,0]=4 514 B11R2.4 NC1CC1C2=CC=CC=C2 20042 [0,1,0,1,0,0|0,0,0]=2 515 B11R2.40 NC1(C2=CC=CC=C2)CC1 17927 [0,1,0,1,0,0|1,0,0]=3 516 B11R2.40 NC1(C2=NC=CC=C2)CC1 19859 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.1 CCC1=NC=CN1 26929 [1,0,0,0,1,0|2,0,0]=4 518 B7R1.1 CCN1C=CN=C1 30433 [1,0,0,0,1,0|2,0,0]=4 519 B7R1.1 CNC1=CC=CS1 29398 [1,0,0,0,1,0|2,0,0]=4 520 B7R1.1 NCC1=CC=NN1 17985 [1,0,0,0,1,0|2,0,0]=4 521 B7R1.1 NCC1=CC=NO1 18182 [1,0,0,0,1,0|2,0,0]=4 522 B7R1.1 NCC1=CN=CO1 20845 [1,0,0,0,1,0|2,0,0]=4 523 B7R1.1 NCC1=CN=CS1 19378 [1,0,0,0,1,0|2,0,0]=4 524 B7R1.1 NCC1=COC=N1 20843 [1,0,0,0,1,0|2,0,0]=4 525 B7R1.1 NCC1=COC=N1 20844 [1,0,0,0,1,0|2,0,0]=4 526 B7R1.1 NCC1=CON=C1 19372 [1,0,0,0,1,0|2,0,0]=4 527 B7R1.1 NCC1=CSC=N1 19377 [1,0,0,0,1,0|2,0,0]=4 528 B7R1.1 NCC1=NC=CN1 17521 [1,0,0,0,1,0|2,0,0]=4 529 B7R1.1 NCC1=NC=CN1 18174 [1,0,0,0,1,0|2,0,0]=4 530 B7R1.1 NCC1=NC=CS1 19376 [1,0,0,0,1,0|2,0,0]=4 531 B7R1.1 OCC1=CC=CS1 14033 [1,0,0,0,1,0|2,0,0]=4 532 B7R1.1 OCC1=COC=C1 26943 [1,0,0,0,1,0|2,0,0]=4 533 B7R1.1 SCC1=CC=CO1 31196 [1,0,0,0,1,0|2,0,0]=4