0 B10R1.15 C#CC(=O)C1=CC=CC=C1 0047AQ [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [0,0,0,0,0,0|1,0,3]=4 2 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [0,0,0,0,0,0|1,0,3]=4 3 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 CCC(=O)C1=CC=NC=C1 8726AA [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CCC(=O)C1=NC=CN=C1 7151AB [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CN(N=O)C1=CC=CC=C1 8617AL [0,0,0,0,0,0|4,0,0]=4 11 B10R1.15 COC(=N)C1=NC=CN=C1 9109AE [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 COC(=O)C1=CCCCO1 5478AA [0,0,0,0,0,0|1,0,3]=4 13 B10R1.15 COC(=O)C1=CCOCC1 1300AA [0,0,0,0,0,0|1,0,3]=4 14 B10R1.15 COC(=O)C1CC=CCC1 9933AB [0,0,0,0,0,0|0,0,4]=4 15 B10R1.15 COC(=O)N1C=CC=CC1 3960AB [0,0,0,0,0,0|1,0,1]=2 16 B10R1.15 C[C@H](CO)C1=CC=CC=C1 4835AB [0,0,0,0,0,0|3,0,1]=4 17 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [0,0,0,0,0,0|3,0,1]=4 19 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,0,0,0,0,0|3,0,0]=3 21 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 NNC(=O)C1=CC=NC=N1 Y5417 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.15 NNC(=O)C1=CN=CN=C1 5591AB [0,0,0,0,0,0|4,0,0]=4 24 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [0,0,0,0,0,0|3,0,0]=3 25 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,0,0,0,0,0|3,0,0]=3 26 B10R1.15 O=C(CBr)C1=NC=CN=C1 Z2340 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.15 O=C(CCl)C1=CC=NC=C1 5498AJ [0,0,0,0,0,0|3,0,0]=3 28 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.6 CN(C)C1=CC=NC=C1 6487AL [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [1,0,0,0,0,0|2,0,0]=3 34 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 CS(=O)C1=NC=CC=N1 7770AJ [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 C[C@@H](N)C1=CC=CC=N1 6298AA [1,0,0,0,0,0|2,0,1]=4 37 B9R1.6 C[C@@H](N)C1=CC=CN=C1 8353AH [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 C[C@H](N)C1=CC=NC=C1 4830AJ [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 N=C(N)C1=CC=CC=C1 9278AB [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 NC(=O)C1=CC=NN=C1 Z3384 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 NC(=O)C1=NC=CC=N1 Z3390 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [1,0,0,0,0,0|0,0,2]=3 46 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [1,0,0,0,0,0|1,1,0]=3 47 B9R1.6 O=C([O-])C1=CC=NC=N1 2020AH [1,0,0,0,0,0|2,0,1]=4 48 B9R1.6 O=C([O-])C1=NC=CC=C1 8839AL [1,0,0,0,0,0|1,0,1]=3 49 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,0,0,0,0,0|1,0,1]=3 53 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 CNNC1=CC=CC=C1 V2456 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 0023AQ [1,0,0,0,0,0|3,0,0]=4 58 B11R1.7 CCC(F)(F)C1=CC=CC=C1 9060AE [0,1,0,0,0,0|2,0,1]=4 59 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 M421 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.12 CCC(CN)C1=CC=CC=C1 V4239 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.12 CCC(NC)C1=CC=CC=C1 8595AL [0,1,0,0,0,0|2,0,1]=4 62 B11R1.12 CCC(NN)C1=CC=CC=C1 8342AH [0,1,0,0,0,0|2,0,1]=4 63 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 3045AC [0,1,0,0,0,0|1,0,2]=4 64 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 7034AA [0,1,0,0,0,0|1,0,2]=4 65 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [0,1,0,0,0,0|2,0,1]=4 66 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [0,1,0,0,0,0|2,0,1]=4 67 B11R1.16 CCOC(=N)C1=CC=NC=C1 Y9045 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.16 CCOC(=O)C1=CC=NN=C1 5094AB [0,1,0,0,0,0|2,0,0]=3 69 B11R1.16 CN(CCN)C1=CC=CC=C1 5337AD [0,1,0,0,0,0|3,0,0]=4 70 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [0,1,0,0,0,0|2,0,1]=4 71 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [0,1,0,0,0,0|2,0,1]=4 72 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 6705AB [0,1,0,0,0,0|1,0,0]=2 73 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.16 N#CNC(=O)C1=CC=CC=C1 4699AD [0,1,0,0,0,0|1,0,1]=3 75 B11R1.16 N#C\N=C(/N)C1=CC=CC=C1 5678AD [0,1,0,0,0,0|2,0,1]=4 76 B11R1.16 O=C(\C=C\Cl)C1=CC=CC=C1 0138AQ [0,1,0,0,0,0|1,0,1]=3 77 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 7203AB [0,1,0,0,0,0|1,0,1]=3 78 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 7936AB [0,1,0,0,0,0|2,0,0]=3 79 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 1437AL [0,1,0,0,0,0|1,0,0]=2 80 B11R1.22 CCC(=O)C1=NC=C(Br)C=N1 Y3142 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 1643AC [0,1,0,0,0,0|2,0,1]=4 82 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [0,1,0,0,0,0|2,0,1]=4 83 B11R1.22 CCC(N)C1=CC=C(F)C=C1 8597AC [0,1,0,0,0,0|2,0,1]=4 84 B11R1.22 CCC(N)C1=CC=C(F)C=C1 9157AE [0,1,0,0,0,0|2,0,1]=4 85 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [0,1,0,0,0,0|1,0,2]=4 86 B11R1.22 CCN(N)C1=CC=C(C)C=C1 4836AL [0,1,0,0,0,0|3,0,0]=4 87 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [0,1,0,0,0,0|2,0,1]=4 88 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y6691 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 X9085 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.22 CNC(=O)C1=CC=C(O)C=C1 2642AB [0,1,0,0,0,0|1,0,0]=2 91 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 6428AA [0,1,0,0,0,0|3,0,0]=4 92 B11R1.22 CNC(C)C1=CC=C(F)C=C1 5899AE [0,1,0,0,0,0|2,0,1]=4 93 B11R1.22 COC(=O)C1=CC=C(N)C=C1 3562AL [0,1,0,0,0,0|0,0,0]=1 94 B11R1.22 COC(=O)C1=CN=C(C)N=C1 5600AE [0,1,0,0,0,0|2,0,0]=3 95 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 W5141 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.22 COC(=O)C1=CN=C(I)C=C1 V3781 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.22 COC(=O)C1=CNC(=O)N=C1 6987AB [0,1,0,0,0,0|2,0,0]=3 98 B11R1.22 COC(=O)C1=NC=C(F)C=N1 7118AJ [0,1,0,0,0,0|2,0,0]=3 99 B11R1.22 COC(=O)C1=NC=C(N)C=N1 3573AL [0,1,0,0,0,0|2,0,0]=3 100 B11R1.22 COC(=O)C1=NN=C(C)C=C1 8321AC [0,1,0,0,0,0|2,0,0]=3 101 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,1,0,0,0,0|1,0,1]=3 102 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 6594AD [0,1,0,0,0,0|3,0,0]=4 103 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 2661AL [0,1,0,0,0,0|2,0,0]=3 104 B11R1.22 N#CC(=O)C1=CC=C(F)C=C1 7543AE [0,1,0,0,0,0|2,0,0]=3 105 B11R1.22 N=C(NO)C1=CC=C(Br)C=C1 9499AJ [0,1,0,0,0,0|3,0,0]=4 106 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 2630AL [0,1,0,0,0,0|2,0,0]=3 107 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 9286AB [0,1,0,0,0,0|2,0,0]=3 108 B11R1.22 NNC(=O)C1=CC=C(Cl)C=N1 7212AA [0,1,0,0,0,0|3,0,0]=4 109 B11R1.22 NNC(=O)C1=CN=C(N)C=C1 Z3023 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 Z4030 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.22 NNC(=O)C1=NC=C(O)C=C1 Z2983 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 W6566 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 W7901 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.22 O=C(CBr)C1=CC=C(Br)N=C1 Y6042 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 7216AA [0,1,0,0,0,0|3,0,0]=4 116 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 Y4820 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 9573AB [0,1,0,0,0,0|2,0,0]=3 118 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 Y8738 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 3895AB [0,1,0,0,0,0|2,0,0]=3 120 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 2338AC [0,1,0,0,0,0|2,0,0]=3 121 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 A977 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 5627AH [0,1,0,0,0,0|2,0,0]=3 123 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 W4184 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 9497AJ [0,1,0,0,0,0|3,0,0]=4 125 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 2731AB [0,1,0,0,0,0|3,0,0]=4 126 B11R1.23 CC1=CC=CC(C(=O)C#N)=C1 5362AH [0,1,0,0,0,0|2,0,0]=3 127 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 7064AB [0,1,0,0,0,0|2,0,0]=3 128 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 2535AE [0,1,0,0,0,0|2,0,1]=4 129 B11R1.23 CCC(N)C1=CC(N)=CC=C1 1913AJ [0,1,0,0,0,0|2,0,1]=4 130 B11R1.23 CCS(=O)C1=CC(Br)=CC=C1 V3491 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 X9176 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 9082AH [0,1,0,0,0,0|2,0,1]=4 133 B11R1.23 CNC(=O)C1=CC(Br)=NC=C1 V5272 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.23 CNC(=O)C1=CC(Cl)=CC=C1 8051AJ [0,1,0,0,0,0|1,0,0]=2 135 B11R1.23 CNC(=O)C1=CC=CC(O)=C1 2288AJ [0,1,0,0,0,0|1,0,0]=2 136 B11R1.23 CNC(=O)C1=NC(Br)=CC=C1 V5271 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.23 COC(=O)C1=CC(N)=NC=N1 2200AC [0,1,0,0,0,0|2,0,0]=3 138 B11R1.23 COC(=O)C1=CN=CC(O)=C1 7119AJ [0,1,0,0,0,0|1,0,0]=2 139 B11R1.23 COC(=O)C1=NC(N)=NC=C1 1008AB [0,1,0,0,0,0|2,0,0]=3 140 B11R1.23 COC(=O)C1=NC=CC(C)=N1 Z4587 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.23 COC(=O)C1=NC=CC(O)=C1 4279AJ [0,1,0,0,0,0|1,0,0]=2 142 B11R1.23 N#CC(=O)C1=CC(F)=CC=C1 2278AJ [0,1,0,0,0,0|2,0,0]=3 143 B11R1.23 N=C(NO)C1=CC=CC(Br)=C1 V3789 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.23 N=C(NO)C1=CC=CC(Cl)=C1 W4576 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 9285AB [0,1,0,0,0,0|2,0,0]=3 146 B11R1.23 NCC(=O)C1=CC(F)=CC=C1 5755AC [0,1,0,0,0,0|2,0,0]=3 147 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 V2280 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.23 NNC(=O)C1=CC(Cl)=NC=C1 6071AE [0,1,0,0,0,0|3,0,0]=4 149 B11R1.23 NNC(=O)C1=NC(Cl)=CC=C1 4594AF [0,1,0,0,0,0|3,0,0]=4 150 B11R1.23 NNC(=O)C1=NC(I)=CC=C1 0675AF [0,1,0,0,0,0|3,0,0]=4 151 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 8352AB [0,1,0,0,0,0|3,0,0]=4 152 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 7664AB [0,1,0,0,0,0|2,0,0]=3 153 B11R1.23 O=CC(=O)C1=CC=CC(Br)=C1 X8794 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.23 O\N=C(/Cl)C1=CC(Br)=CC=C1 9462AJ [0,1,0,0,0,0|3,0,0]=4 155 B11R1.23 O\N=C(/Cl)C1=CC(F)=CC=C1 9466AJ [0,1,0,0,0,0|3,0,0]=4 156 B11R1.36 BrC(Br)=C(Br)C1=CC=CC=C1 O760 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 E850 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,1,0,0,0,0|2,0,1]=4 159 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl L006 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 2418AE [0,1,0,0,0,0|2,0,0]=3 162 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,1,0,0,0,0|3,0,0]=4 163 B11R1.222 CC1=C(C(=O)NN)C=CC=N1 6633AD [0,1,0,0,0,0|3,0,0]=4 164 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 2680AE [0,1,0,0,0,0|3,0,0]=4 165 B11R1.222 CC1=CC=CC=C1C(=O)C#N S734 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.222 CC1=CC=CC=C1C(=O)CN X6576 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.222 CCC(=O)C1=CC=CN=C1Cl 5775AA [0,1,0,0,0,0|2,0,0]=3 168 B11R1.222 CCC(=O)C1=NC=CC=C1C V9138 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.222 CC[C@H](N)C1=CC=CC=C1Cl W8965 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.222 CNC(=O)C1=NC=CN=C1N 4576AB [0,1,0,0,0,0|3,0,0]=4 172 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 9708AB [0,1,0,0,0,0|1,0,0]=2 173 B11R1.222 COC(=O)C1=CC=CN=C1S 9094AE [0,1,0,0,0,0|1,0,0]=2 174 B11R1.222 COC(=O)C1=CN=CC=C1Cl X9905 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.222 COC(=O)C1=CN=CC=C1O V7225 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.222 COC(=O)C1=NC=CN=C1I W3780 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.222 N=C(NO)C1=C(Br)C=CC=C1 9398AJ [0,1,0,0,0,0|3,0,0]=4 178 B11R1.222 N=C(NO)C1=CC=CC=C1Cl 9402AJ [0,1,0,0,0,0|3,0,0]=4 179 B11R1.222 NC1=CC=CC=C1C(=O)NO 5665AE [0,1,0,0,0,0|2,0,0]=3 180 B11R1.222 NNC(=O)C1=C(N)C=NC=C1 7290AE [0,1,0,0,0,0|3,0,0]=4 181 B11R1.222 NNC(=O)C1=CC=CC=C1I 0066AE [0,1,0,0,0,0|2,0,0]=3 182 B11R1.222 NNC(=O)C1=CC=CN=C1N Y9355 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.222 NNC(=O)C1=NC=CC=C1F 1032AA [0,1,0,0,0,0|3,0,0]=4 184 B11R1.222 N\C(=N\O)C1=CC=CC=C1F 9412AJ [0,1,0,0,0,0|3,0,0]=4 185 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 4897AJ [0,1,0,0,0,0|2,0,0]=3 186 B11R1.222 O\N=C(/Cl)C1=C(Br)C=CC=C1 9397AJ [0,1,0,0,0,0|3,0,0]=4 187 B11R2.1 BrC1=COC2=CC=CC=C12 Y9562 [0,0,0,1,0,0|3,0,0]=4 188 B11R2.1 BrC1=NOC2=C1C=CC=C2 5187AA [0,0,0,1,0,0|3,0,0]=4 189 B11R2.1 NC1=CSC2=CC=CC=C12 W5550 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [0,0,0,1,0,0|1,0,1]=3 192 B11R2.1 O=C1CCC2=NC=CC=C12 4182AA [0,0,0,1,0,0|2,0,0]=3 193 B11R2.1 O=C1COC2=CN=CC=C12 4128AJ [0,0,0,1,0,0|3,0,0]=4 194 B11R2.1 O=C1NCC2=C1C=CN=C2 1363AJ [0,0,0,1,0,0|2,0,0]=3 195 B11R2.1 O=C1NNC2=CC=CN=C12 7206AB [0,0,0,1,0,0|3,0,0]=4 196 B11R2.1 O=C1NNC2=NC=CC=C12 Z4567 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.988 OCC1=CC2=CC=CC=C21 K959 [0,0,0,1,0,0|3,0,0]=4 198 B9R1.11 CCC(=O)C1=CC=CO1 Z5507 [0,0,0,0,1,0|2,0,0]=3 199 B9R1.11 COC(=O)C1=CNN=C1 9533AA [0,0,0,0,1,0|2,0,0]=3 200 B9R1.11 COC(=O)C1=NC=CO1 3452AB [0,0,0,0,1,0|2,0,0]=3 201 B9R1.11 CSC(=O)C1=CSC=N1 V9051 [0,0,0,0,1,0|2,1,0]=4 202 B9R1.11 N#CC(=O)C1=CC=CO1 9015AB [0,0,0,0,1,0|3,0,0]=4 203 B9R1.11 N#CC(=O)C1=CC=CS1 6481AE [0,0,0,0,1,0|3,0,0]=4 204 B9R1.11 NNC(=O)C1=CSC=C1 2321AE [0,0,0,0,1,0|3,0,0]=4 205 B9R1.11 O=CC(=O)C1=CC=CO1 8783AA [0,0,0,0,1,0|3,0,0]=4 206 B9R1.11 O=CC(=O)C1=CC=CS1 W3018 [0,0,0,0,1,0|3,0,0]=4 207 B11R1.40 CCC(=O)OC1=CC=CC=C1 8795AL [0,0,0,0,0,1|1,0,0]=2 208 B11R1.40 CNC(=O)CC1=CN=CC=C1 8304AC [0,0,0,0,0,1|2,0,0]=3 209 B11R1.40 CNC(=S)NC1=CC=CC=C1 S792 [0,0,0,0,0,1|1,1,0]=3 210 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [0,0,0,0,0,1|1,0,0]=2 211 B11R1.40 COC(=O)CC1=NC=NC=C1 Y1676 [0,0,0,0,0,1|2,0,0]=3 212 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 5715AL [0,0,0,0,0,1|3,0,0]=4 213 B11R1.40 NCC(=O)NC1=CC=CC=C1 4165AE [0,0,0,0,0,1|2,0,0]=3 214 B11R1.40 NNC(=O)CC1=CC=NC=C1 Y5522 [0,0,0,0,0,1|3,0,0]=4 215 B11R1.40 O=C(CCl)NC1=CC=CN=C1 2248AC [0,0,0,0,0,1|3,0,0]=4 216 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [2,0,0,0,0,0|1,1,0]=4 217 B8R1.2 CC[N+]1=CC=CC=C1 E438 [2,0,0,0,0,0|1,0,1]=4 218 B8R1.2 COC1=CC=NN=C1 Z5489 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.2 NCC1=CC=CC=C1 7149AL [2,0,0,0,0,0|1,0,1]=4 220 B8R1.2 NOC1=CC=CC=C1 X4801 [2,0,0,0,0,0|1,0,0]=3 221 B8R1.2 O=CC1=CN=NC=C1 7044AB [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 O=CC1=NC=CC=N1 Y3220 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 O=[As]C1=CC=CC=C1 7620AF [2,0,0,0,0,0|1,0,0]=3 224 B8R1.2 ONC1=CC=CC=C1 0019AQ [2,0,0,0,0,0|1,0,0]=3 225 B10R1.13 C=C(C)C1=CC=C(C)C=C1 3347AA [1,1,0,0,0,0|1,0,0]=3 226 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [1,1,0,0,0,0|1,0,0]=3 227 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [1,1,0,0,0,0|0,0,0]=2 228 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [1,1,0,0,0,0|1,0,0]=3 229 B10R1.13 CC(=O)C1=CN=C(O)C=N1 2581AA [1,1,0,0,0,0|2,0,0]=4 230 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 0919AB [1,1,0,0,0,0|2,0,0]=4 231 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 1606AL [1,1,0,0,0,0|1,0,1]=4 232 B10R1.13 CC(C)C1=CC=C(S)C=C1 L740 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [1,1,0,0,0,0|1,0,1]=4 234 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [1,1,0,0,0,0|1,0,1]=4 235 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [1,1,0,0,0,0|0,0,1]=3 236 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 5443AB [1,1,0,0,0,0|1,0,1]=4 237 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 N143 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.13 CC1=NN=C(C(=O)O)C=C1 Y9703 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 X4561 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 0354AA [1,1,0,0,0,0|0,0,2]=4 242 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [1,1,0,0,0,0|1,0,1]=4 243 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [1,1,0,0,0,0|0,0,2]=4 244 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [1,1,0,0,0,0|2,0,0]=4 245 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [1,1,0,0,0,0|1,0,0]=3 247 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 7653AF [1,1,0,0,0,0|1,0,1]=4 248 B10R1.13 NC1=CN=C(C(=O)O)N=C1 Z4892 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.13 O=C(O)C1=CN=C(O)N=C1 W5910 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 3348AA [1,1,0,0,0,0|1,0,0]=3 251 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 5127AB [1,1,0,0,0,0|1,0,0]=3 252 B10R1.28 CS(=O)(=O)C1=NC=CC=C1 Y7797 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 Z8042 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 Y9394 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 5121AF [1,1,0,0,0,0|1,0,1]=4 256 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [1,1,0,0,0,0|1,0,0]=3 257 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.61 CC(=O)C1=CC=CNC1=O W7482 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.61 CC(=O)C1=NC=CC=C1Cl 5776AA [1,1,0,0,0,0|1,0,0]=3 260 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.61 CC(Br)C1=CC=CC=C1F Y9030 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.61 CC(N)C1=CC=CC=C1Br Z7493 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 6296AA [1,1,0,0,0,0|0,0,2]=4 264 B10R1.61 CC1=C(C(=O)O)N=CC=C1 4521AA [1,1,0,0,0,0|1,0,0]=3 265 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [1,1,0,0,0,0|1,0,1]=4 266 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [1,1,0,0,0,0|1,0,1]=4 267 B10R1.61 CC1=CC=CN=C1C(N)=O 3720AF [1,1,0,0,0,0|2,0,0]=4 268 B10R1.61 CC1=CCC=CC1C(=O)O 0416AQ [1,1,0,0,0,0|0,0,2]=4 269 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [1,1,0,0,0,0|1,0,0]=3 270 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 8346AH [1,1,0,0,0,0|1,0,1]=4 272 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br 2344AA [1,1,0,0,0,0|1,0,1]=4 273 B10R1.61 C[C@@H](N)C1=CC=CC=C1F X9177 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 N446 [1,1,0,0,0,0|0,0,2]=4 275 B10R1.61 C[C@H](N)C1=CC=CC=C1Br Z4151 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 8791AA [1,1,0,0,0,0|0,0,2]=4 277 B10R1.61 C[C@H](O)C1=CC=CC=C1Br N448 [1,1,0,0,0,0|0,0,2]=4 278 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 1622AJ [1,1,0,0,0,0|2,0,0]=4 279 B10R1.61 N=C(N)C1=CC=CC=C1F 1049AC [1,1,0,0,0,0|2,0,0]=4 280 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 W9002 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 Y3257 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.61 NC(=S)C1=CC=CC=C1Br 1055AQ [1,1,0,0,0,0|1,1,0]=4 283 B10R1.61 NC1=CN=CN=C1C(=O)O 8941AB [1,1,0,0,0,0|2,0,0]=4 284 B10R1.61 O=C(O)C1=C(I)C=NC=C1 Y5476 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.61 O=C(O)C1=NC=CN=C1Br W9637 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.61 O=C(O)C1=NC=CN=C1I W4424 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 W6093 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.113 CC(=O)C1=CC(C)=NC=N1 W7770 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [1,1,0,0,0,0|1,0,0]=3 290 B10R1.113 CC(=O)C1=NC(F)=CC=C1 6832AB [1,1,0,0,0,0|1,0,0]=3 291 B10R1.113 CC(=O)C1=NC(N)=NC=C1 8301AC [1,1,0,0,0,0|2,0,0]=4 292 B10R1.113 CC(N)C1=CC(O)=CC=C1 Y9690 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 V5733 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.113 CC1=CC(C(=N)N)=CC=C1 2354AJ [1,1,0,0,0,0|2,0,0]=4 295 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [1,1,0,0,0,0|2,0,0]=4 296 B10R1.113 CC1=CC=CC(C(C)C)=C1 5135AE [1,1,0,0,0,0|1,0,1]=4 297 B10R1.113 CC1=NC(C(=O)O)=NC=C1 Z5358 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.113 CN(C)C1=CC=CC(N)=C1 2773AB [1,1,0,0,0,0|2,0,0]=4 299 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 W5401 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 Z5107 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 3482AA [1,1,0,0,0,0|0,0,2]=4 302 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 5245AA [1,1,0,0,0,0|0,0,2]=4 303 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 W5400 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 6219AA [1,1,0,0,0,0|0,0,2]=4 305 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 5244AA [1,1,0,0,0,0|0,0,2]=4 306 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 7814AH [1,1,0,0,0,0|1,0,0]=3 307 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 2211AJ [1,1,0,0,0,0|2,0,0]=4 308 B10R1.113 NC(=O)C1=NC(F)=CC=C1 V5539 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 Z2563 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.113 O=C(O)C1=CN=CC(I)=C1 Z4205 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.113 O=C([O-])C1=CC(O)=CC=C1 8975AL [1,1,0,0,0,0|0,0,1]=3 313 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [1,1,0,0,0,0|1,0,1]=4 314 B10R1.113 O=S([O-])C1=CC=CC(Br)=C1 V8824 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [1,1,0,0,0,0|1,0,1]=4 316 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [1,1,0,0,0,0|1,0,1]=4 317 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [1,1,0,0,0,0|2,0,0]=4 318 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [1,1,0,0,0,0|2,0,0]=4 319 B10R1.1 CNCC1=CC=C(N)C=C1 Q169 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [1,1,0,0,0,0|0,0,1]=3 321 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [1,1,0,0,0,0|1,0,1]=4 322 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 4986AB [1,1,0,0,0,0|2,0,0]=4 323 B10R1.1 O\N=C\C1=CC=C(O)C=C1 6494AE [1,1,0,0,0,0|2,0,0]=4 324 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,1,0,0,0,0|1,0,1]=4 325 B10R1.4 CCNC1=C(N)C=CC=C1 8052AD [1,1,0,0,0,0|2,0,0]=4 326 B10R1.4 CCSC1=CC=CC=C1Br I195 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.4 NOCC1=CC=CC=C1I 3260AC [1,1,0,0,0,0|1,0,1]=4 328 B10R1.4 O\N=C\C1=C(F)C=CC=C1 6229AB [1,1,0,0,0,0|2,0,0]=4 329 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [1,1,0,0,0,0|1,0,1]=4 330 B10R1.10 CCOC1=CC(S)=CC=C1 L529 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [1,1,0,0,0,0|1,0,1]=4 332 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [1,1,0,0,0,0|1,0,1]=4 333 B10R1.10 O\N=C\C1=CC(Cl)=CC=C1 5550AC [1,1,0,0,0,0|2,0,0]=4 334 B10R1.10 O\N=C\C1=CC(O)=CC=C1 7611AD [1,1,0,0,0,0|2,0,0]=4 335 B10R1.17 COCCC1=NC=CC=C1 4987AL [1,1,0,0,0,0|1,0,1]=4 336 B10R1.17 NCC#CC1=CC=CC=C1 1105AQ [1,1,0,0,0,0|1,0,1]=4 337 B10R1.17 NCCSC1=CC=CC=C1 6800AD [1,1,0,0,0,0|2,0,0]=4 338 B10R1.17 OC\C=C\C1=CC=CN=C1 5644AJ [1,1,0,0,0,0|2,0,0]=4 339 B10R1.18 CC(=S)NC1=CC=CC=C1 8077AF [1,1,0,0,0,0|2,0,0]=4 340 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [1,1,0,0,0,0|1,0,0]=3 341 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [1,1,0,0,0,0|1,0,1]=4 342 B10R1.18 C[C@H](O)CC1=CC=CC=C1 7611AA [1,1,0,0,0,0|1,0,1]=4 343 B10R1.11 CCCC(=O)C1=CC=CO1 Z5524 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.11 CCOC(=O)C1=CNC=C1 Z4680 [0,1,0,0,1,0|1,0,0]=3 345 B10R1.11 CCOC(=O)C1=CON=C1 V2359 [0,1,0,0,1,0|2,0,0]=4 346 B10R1.14 CCC(=O)C1=CC=C(C)S1 6348AE [0,1,0,0,1,0|2,0,0]=4 347 B10R1.14 COC(=O)C1=CC(C)=CN1 0966AE [0,1,0,0,1,0|1,0,0]=3 348 B10R1.14 COC(=O)C1=CC(C)=NO1 0210AA [0,1,0,0,1,0|2,0,0]=4 349 B10R1.14 COC(=O)C1=CC(F)=CS1 0106AP [0,1,0,0,1,0|1,0,0]=3 350 B10R1.14 COC(=O)C1=CC(O)=NN1 X6430 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.14 COC(=O)C1=CC=C(Cl)O1 7113AJ [0,1,0,0,1,0|1,0,0]=3 352 B10R1.23 CN(C)C(=O)C1=CC=CN1 8576AE [0,1,0,0,1,0|2,0,0]=4 353 B10R1.149 CNC(=O)C1=C(N)C=CS1 4490AD [0,1,0,0,1,0|2,0,0]=4 354 B10R1.149 CNC(=O)C1=CC=CN1C 1103AC [0,1,0,0,1,0|2,0,0]=4 355 B10R1.149 COC(=O)C1=C(Br)NC=N1 1835AA [0,1,0,0,1,0|2,0,0]=4 356 B10R1.149 COC(=O)C1=C(Br)OC=C1 0182AB [0,1,0,0,1,0|1,0,0]=3 357 B10R1.149 COC(=O)C1=C(C)C=NO1 8607AD [0,1,0,0,1,0|2,0,0]=4 358 B10R1.149 COC(=O)C1=C(C)N=CO1 1472AB [0,1,0,0,1,0|2,0,0]=4 359 B10R1.149 COC(=O)C1=C(C)ON=C1 0060AA [0,1,0,0,1,0|2,0,0]=4 360 B10R1.149 COC(=O)C1=C(C)SC=N1 V7296 [0,1,0,0,1,0|2,0,0]=4 361 B10R1.149 COC(=O)C1=C(N)C=NN1 Z4528 [0,1,0,0,1,0|2,0,0]=4 362 B10R1.149 COC(=O)C1=C(N)ON=C1 Z3256 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.149 COC(=O)C1=C(O)C=CN1 2368AC [0,1,0,0,1,0|1,0,0]=3 364 B10R1.149 COC(=O)C1=CC=CN1N 4226AA [0,1,0,0,1,0|1,0,0]=3 365 B10R1.149 COC(=O)C1=NNC=C1C 0628AC [0,1,0,0,1,0|2,0,0]=4 366 B10R1.149 COC(=O)C1=NNC=C1F X3413 [0,1,0,0,1,0|2,0,0]=4 367 B10R1.149 COC(=O)C1=NNC=C1I 6533AA [0,1,0,0,1,0|2,0,0]=4 368 B10R1.149 COC(=O)C1=NNC=C1N 4526AB [0,1,0,0,1,0|2,0,0]=4 369 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 8900AA [0,1,0,0,0,1|1,0,0]=3 370 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 2472AL [0,1,0,0,0,1|1,0,1]=4 371 B12R1.32 NCCC(=O)NC1=CC=CC=C1 2153AJ [0,1,0,0,0,1|1,0,0]=3 372 B12R1.32 NCCC(=O)NC1=CC=CC=C1 9531AC [0,1,0,0,0,1|1,0,0]=3 373 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 9279AA [0,1,0,0,0,1|2,0,0]=4 374 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 2957AB [0,1,0,0,0,1|2,0,0]=4 375 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 3740AF [0,1,0,0,0,1|1,0,0]=3 376 B12R1.34 COC(=O)C(N)C1=CC=CC=N1 7750AA [0,1,0,0,0,1|1,0,0]=3 377 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 6943AJ [0,1,0,0,0,1|1,0,0]=3 378 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 E406 [0,1,0,0,0,1|1,0,0]=3 379 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 3918AF [0,1,0,0,0,1|1,0,0]=3 380 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 2901AB [0,1,0,0,0,1|1,0,0]=3 381 B12R1.43 CC(C)C(=O)CC1=NC=CC=C1 2329AJ [0,1,0,0,0,1|2,0,0]=4 382 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 7223AD [0,1,0,0,0,1|1,0,0]=3 383 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 4801AD [0,1,0,0,0,1|1,0,0]=3 384 B12R1.43 CN(C)C(=S)CC1=CC=CC=C1 5910AD [0,1,0,0,0,1|1,1,0]=4 385 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,1,0,0,0,1|2,0,0]=4 386 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 4193AA [0,1,0,0,0,1|2,0,0]=4 387 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 5933AE [0,1,0,0,0,1|2,0,0]=4 388 B12R1.49 CC1=CC=C(NC(=O)CN)C=C1 5390AE [0,1,0,0,0,1|2,0,0]=4 389 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 0275AE [0,1,0,0,0,1|1,0,0]=3 390 B12R1.49 COC(=O)NC1=NC=C(Br)C=C1 V4263 [0,1,0,0,0,1|1,0,0]=3 391 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 5932AE [0,1,0,0,0,1|2,0,0]=4 392 B12R1.49 O=C(CBr)NC1=CC=C(Br)C=C1 5316AE [0,1,0,0,0,1|2,0,0]=4 393 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 5089AE [0,1,0,0,0,1|2,0,0]=4 394 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 8448AE [0,1,0,0,0,1|2,0,0]=4 395 B12R1.50 CC1=CC(NC(=O)CCl)=CC=C1 0226AE [0,1,0,0,0,1|2,0,0]=4 396 B12R1.50 CC1=CC=CC(NC(=O)CN)=C1 1548AD [0,1,0,0,0,1|2,0,0]=4 397 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 7324AD [0,1,0,0,0,1|1,0,0]=3 398 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 Y7716 [0,1,0,0,0,1|1,0,0]=3 399 B12R1.50 COC(=O)NC1=NC=CC(Cl)=C1 V8751 [0,1,0,0,0,1|1,0,0]=3 400 B12R1.50 O=C(CBr)NC1=CC(F)=CC=C1 1405AC [0,1,0,0,0,1|2,0,0]=4 401 B12R1.50 O=C(CBr)NC1=CC=CC(Cl)=C1 3025AE [0,1,0,0,0,1|2,0,0]=4 402 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [0,1,0,0,0,1|1,0,1]=4 403 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 7569AB [0,1,0,0,0,1|2,0,0]=4 404 B12R1.371 CC1=CC=CC=C1NC(=O)CN 8084AC [0,1,0,0,0,1|2,0,0]=4 405 B12R1.371 CCC(=O)NC1=CC=CC=C1O 8315AE [0,1,0,0,0,1|1,0,0]=3 406 B12R1.371 CNC(=O)CC1=CC=CC=C1Br V3106 [0,1,0,0,0,1|1,0,0]=3 407 B12R1.371 CNC(=S)NC1=CC=CC=C1Br V6396 [0,1,0,0,0,1|1,1,0]=4 408 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 8264AE [0,1,0,0,0,1|1,0,0]=3 409 B12R1.371 NNC(=O)NC1=CC=CC=C1Cl 1456AE [0,1,0,0,0,1|2,0,0]=4 410 B12R1.371 O=C(CCl)NC1=CC=CC=C1F 4226AB [0,1,0,0,0,1|2,0,0]=4 411 B12R1.371 O=C(CS)NC1=CC=CC=C1Cl 5539AD [0,1,0,0,0,1|2,0,0]=4 412 B12R1.9 CCS(=O)(=O)C1=CC=C(Cl)C=C1 1182AC [0,2,0,0,0,0|2,0,0]=4 413 B12R1.9 CCS(=O)(=O)C1=CC=C(N)C=C1 V7024 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.9 COS(=O)(=O)C1=CC=C(Cl)C=C1 Z3759 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.195 CCS(=O)(=O)C1=CC=CC=C1Br Z9487 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.195 CNS(=O)(=O)C1=C(Cl)C=CC=C1 8887AA [0,2,0,0,0,0|2,0,0]=4 417 B12R1.12 CCC(NO)=C1C=CC(=O)C=C1 3821AD [0,2,0,0,0,0|1,0,1]=4 418 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 7562AH [0,2,0,0,0,0|1,0,1]=4 419 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 2319AF [0,2,0,0,0,0|1,0,0]=3 420 B12R1.16 CCNC(=O)C1=NC=C(Br)C=C1 V7933 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 4591AD [0,2,0,0,0,0|1,0,0]=3 422 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 Z4406 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 3468AD [0,2,0,0,0,0|1,0,0]=3 424 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 6793AJ [0,2,0,0,0,0|2,0,0]=4 425 B12R1.16 CCOC(=O)C1=NC=C(F)C=C1 4575AD [0,2,0,0,0,0|1,0,0]=3 426 B12R1.16 CCOC(=O)C1=NC=C(O)N=C1 7743AB [0,2,0,0,0,0|2,0,0]=4 427 B12R1.16 CCOC(=O)C1=NNC(=O)C=C1 9553AB [0,2,0,0,0,0|2,0,0]=4 428 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 0579AB [0,2,0,0,0,0|1,0,1]=4 429 B12R1.16 O=C(CCO)C1=CC=C(O)C=C1 5738AJ [0,2,0,0,0,0|1,0,0]=3 430 B12R1.16 O=C(\C=N\O)C1=CC=C(Br)C=C1 9214AJ [0,2,0,0,0,0|2,0,0]=4 431 B12R1.17 CC1=CC(C(=O)CCCl)=CC=C1 2531AF [0,2,0,0,0,0|1,0,0]=3 432 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 0122AF [0,2,0,0,0,0|1,0,0]=3 433 B12R1.17 CCNC(=O)C1=NC=CC(Cl)=C1 V6865 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.17 CCOC(=N)C1=CC(C)=CC=C1 7999AB [0,2,0,0,0,0|1,0,0]=3 435 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 0051AC [0,2,0,0,0,0|1,0,0]=3 436 B12R1.17 CCOC(=O)C1=CC=NC(=O)N1 9725AD [0,2,0,0,0,0|2,0,0]=4 437 B12R1.17 CCOC(=O)C1=CN=CC(N)=C1 8908AA [0,2,0,0,0,0|1,0,0]=3 438 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 Z8250 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.17 CCOC(=O)C1=NC(Cl)=CN=C1 8180AA [0,2,0,0,0,0|2,0,0]=4 440 B12R1.17 CCOC(=O)C1=NC=CC(C)=C1 8766AB [0,2,0,0,0,0|1,0,0]=3 441 B12R1.17 CCOC(=O)C1=NC=CC(N)=N1 W8041 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.17 N#CCC(=O)C1=CC=CC(I)=C1 5351AH [0,2,0,0,0,0|1,0,1]=4 443 B12R1.30 C#CCOC(=O)C1=CC=CN=C1 8276AD [0,2,0,0,0,0|1,0,0]=3 444 B12R1.30 C=CCOC(=O)C1=CC=NC=C1 8094AL [0,2,0,0,0,0|1,0,0]=3 445 B12R1.30 CCCCC(=O)C1=CC=CN=C1 8729AA [0,2,0,0,0,0|2,0,0]=4 446 B12R1.30 CCCCC(=O)C1=CC=NC=C1 8730AA [0,2,0,0,0,0|2,0,0]=4 447 B12R1.30 NCCCC(=O)C1=CC=CN=C1 2606AJ [0,2,0,0,0,0|2,0,0]=4 448 B12R1.30 NCCCC(=O)C1=CN=CC=C1 2616AJ [0,2,0,0,0,0|2,0,0]=4 449 B12R1.30 NCCNC(=O)C1=CC=CC=C1 4647AD [0,2,0,0,0,0|1,0,0]=3 450 B12R1.30 NCCNC(=O)C1=CN=CC=C1 3769AF [0,2,0,0,0,0|2,0,0]=4 451 B12R1.30 NCCNC(=O)C1=NC=CC=C1 7830AC [0,2,0,0,0,0|2,0,0]=4 452 B12R1.30 O=C(NCCO)C1=CC=NC=C1 9459AB [0,2,0,0,0,0|2,0,0]=4 453 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 1383AC [0,2,0,0,0,0|1,0,1]=4 454 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [0,2,0,0,0,0|2,0,0]=4 455 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 W6864 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 7718AL [0,2,0,0,0,0|0,1,0]=3 457 B12R1.308 C=C(OCC)C1=C(C)C=CN=C1 W6934 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.308 C=COC(=O)C1=C(Cl)C=CC=C1 5569AL [0,2,0,0,0,0|0,0,1]=3 459 B12R1.308 CCCC(=O)C1=NC=CC=C1C Z8832 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.308 CCNC(=O)C1=CC=CC=C1N V5157 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl 5010AE [0,2,0,0,0,0|2,0,0]=4 462 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 9610AB [0,2,0,0,0,0|1,0,0]=3 463 B12R1.308 CCOC(=O)C1=C(C)N=CC=N1 6741AJ [0,2,0,0,0,0|2,0,0]=4 464 B12R1.308 CCOC(=O)C1=C(Cl)N=NC=C1 7125AA [0,2,0,0,0,0|2,0,0]=4 465 B12R1.308 CCOC(=O)C1=C(F)C=CC=N1 0661AD [0,2,0,0,0,0|1,0,0]=3 466 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 2144AJ [0,2,0,0,0,0|1,0,0]=3 467 B12R1.308 CCOC(=O)C1=CC=NN=C1C 6927AC [0,2,0,0,0,0|2,0,0]=4 468 B12R1.308 CCOC(=O)C1=CC=NN=C1N V7450 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.308 CCOC(=O)C1=CN=CC=C1N 8692AA [0,2,0,0,0,0|1,0,0]=3 470 B12R1.308 N#CCC(=O)C1=CC=CC=C1F Y8698 [0,2,0,0,0,0|1,0,1]=4 471 B12R1.308 N#CCC(=O)C1=CC=CC=C1I 5072AH [0,2,0,0,0,0|1,0,1]=4 472 B12R1.308 O=C(\C=N\O)C1=CC=CC=C1Br 9207AJ [0,2,0,0,0,0|2,0,0]=4 473 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 X9190 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.5 CCC1=CC=C(C(=O)NN)C=C1 Y9705 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 V3654 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.5 CNC(=O)C1=CC=C(SC)C=C1 7628AB [0,2,0,0,0,0|1,0,0]=3 477 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 1521AA [0,2,0,0,0,0|1,0,0]=3 478 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 Y7491 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 X3533 [0,2,0,0,0,0|0,0,0]=2 480 B12R1.5 COC(=O)C1=CC=C(SC)C=C1 4870AB [0,2,0,0,0,0|0,0,0]=2 481 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 5893AA [0,2,0,0,0,0|1,0,0]=3 482 B12R1.5 COC(=O)C1=NC=C(C=O)N=C1 1015AC [0,2,0,0,0,0|2,0,0]=4 483 B12R1.5 COC1=CC=C(C(=O)C#N)C=C1 8793AH [0,2,0,0,0,0|2,0,0]=4 484 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 2924AE [0,2,0,0,0,0|2,0,0]=4 485 B12R1.5 COC1=CC=C(C(=O)ON)C=C1 1197AF [0,2,0,0,0,0|1,0,0]=3 486 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 7517AB [0,2,0,0,0,0|2,0,0]=4 487 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 W4089 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.5 NCC1=CC=C(C(=O)NN)C=C1 4284AB [0,2,0,0,0,0|2,0,0]=4 489 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 V8545 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 Y1670 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.20 CN(C)C(=O)C1=CN=C(Br)C=C1 1091AF [0,2,0,0,0,0|2,0,0]=4 492 B12R1.20 O=C(C1=CC=C(Cl)C=C1)C(Cl)Cl 4711AE [0,2,0,0,0,0|2,0,0]=4 493 B12R1.367 CC1=C(Br)C=CC(C(=O)CBr)=C1 3315AB [0,2,0,0,0,0|2,0,0]=4 494 B12R1.367 CC1=C(C)C=C(C(=O)CCl)C=C1 4488AE [0,2,0,0,0,0|2,0,0]=4 495 B12R1.367 CC1=CC=C(C(=O)CBr)C=C1C 2008AL [0,2,0,0,0,0|2,0,0]=4 496 B12R1.367 CC1=CC=C(C(=O)NN)C=C1Br 4702AE [0,2,0,0,0,0|2,0,0]=4 497 B12R1.367 CC1=CC=C(C(=O)NN)C=C1N 0486AF [0,2,0,0,0,0|2,0,0]=4 498 B12R1.367 CCC(=O)C1=CC(Cl)=C(F)C=C1 0087AB [0,2,0,0,0,0|1,0,0]=3 499 B12R1.367 CCC(=O)C1=CC=C(Br)C(C)=C1 V4296 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=N1 4840AA [0,2,0,0,0,0|1,0,0]=3 501 B12R1.367 COC(=O)C1=CC(Cl)=C(N)N=C1 0808AF [0,2,0,0,0,0|1,0,0]=3 502 B12R1.367 COC(=O)C1=CC(N)=C(Cl)N=C1 V4323 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.367 COC(=O)C1=CC(N)=C(O)N=C1 V4477 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.367 COC(=O)C1=CC=C(Cl)C(=O)N1 3888AA [0,2,0,0,0,0|1,0,0]=3 505 B12R1.367 COC(=O)C1=CC=C(Cl)C(O)=C1 Z4261 [0,2,0,0,0,0|0,0,0]=2 506 B12R1.367 COC(=O)C1=CN=C(C)C(C)=N1 4479AA [0,2,0,0,0,0|2,0,0]=4 507 B12R1.367 COC(=O)C1=CN=C(O)C(Cl)=C1 1162AD [0,2,0,0,0,0|1,0,0]=3 508 B12R1.367 COC(=O)C1=CNC(=O)C(Cl)=C1 0022AE [0,2,0,0,0,0|1,0,0]=3 509 B12R1.367 COC(=O)C1=NC(Br)=C(C)C=C1 Z3978 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 Y3851 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.367 COC(=O)C1=NC=C(C)C(Cl)=C1 X8939 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 Z5185 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.367 N#CC(=O)C1=CC=C(F)C(Cl)=C1 Y1449 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.367 NCC(=O)C1=CC=C(Br)C(F)=C1 4964AA [0,2,0,0,0,0|2,0,0]=4 515 B12R1.367 NCC(=O)C1=CC=C(Cl)C(Cl)=C1 5784AB [0,2,0,0,0,0|2,0,0]=4 516 B12R1.367 NNC(=O)C1=CC(Br)=C(Cl)C=C1 4586AD [0,2,0,0,0,0|2,0,0]=4 517 B12R1.367 NNC(=O)C1=CC=C(F)C(Br)=C1 V9245 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.367 O=C(CBr)C1=CC(Br)=C(F)C=C1 1021AQ [0,2,0,0,0,0|2,0,0]=4 519 B12R1.367 O=C(CBr)C1=CC=C(Br)C(F)=C1 0190AA [0,2,0,0,0,0|2,0,0]=4 520 B12R1.367 O=C(CCl)C1=CC=C(O)C(Cl)=C1 2324AE [0,2,0,0,0,0|2,0,0]=4 521 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 9016AC [0,2,0,0,0,0|2,0,0]=4 522 B12R1.1703 CC1=C(C(=O)NN)C=CC(Cl)=C1 9223AE [0,2,0,0,0,0|2,0,0]=4 523 B12R1.1703 CCC(=O)C1=C(F)C=C(F)C=C1 L067 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.1703 CCC(=O)C1=CC=C(Cl)C=C1O 8970AC [0,2,0,0,0,0|1,0,0]=3 525 B12R1.1703 CNC(=O)C1=CC=C(Br)C=C1Cl V8785 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.1703 CNC(=O)C1=NC=C(Br)C=C1C Y3870 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 1844AA [0,2,0,0,0,0|1,0,0]=3 528 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 6069AB [0,2,0,0,0,0|0,0,0]=2 529 B12R1.1703 COC(=O)C1=C(N)N=C(N)C=N1 4245AJ [0,2,0,0,0,0|2,0,0]=4 530 B12R1.1703 COC(=O)C1=CC=C(Br)N=C1Cl 2363AA [0,2,0,0,0,0|1,0,0]=3 531 B12R1.1703 COC(=O)C1=CC=C(C)N=C1C 1416AJ [0,2,0,0,0,0|1,0,0]=3 532 B12R1.1703 COC(=O)C1=CC=C(I)C=C1N 7124AA [0,2,0,0,0,0|0,0,0]=2 533 B12R1.1703 COC(=O)C1=CC=C(N)N=C1Cl 0202AA [0,2,0,0,0,0|1,0,0]=3 534 B12R1.1703 COC(=O)C1=CN=C(C)C=C1Cl 4512AC [0,2,0,0,0,0|1,0,0]=3 535 B12R1.1703 COC(=O)C1=CN=C(N)N=C1C 7630AC [0,2,0,0,0,0|2,0,0]=4 536 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O W8494 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.1703 COC(=O)C1=CNC(=O)CC1=O W9082 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.1703 COC(=O)C1=NC=C(C)N=C1Cl 3388AC [0,2,0,0,0,0|2,0,0]=4 539 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1Br 3863AA [0,2,0,0,0,0|1,0,0]=3 540 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 X4745 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.1703 NCC(=O)C1=CC=C(Cl)C=C1Cl L157 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Br)C=C1 7001AD [0,2,0,0,0,0|2,0,0]=4 543 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O 7557AE [0,2,0,0,0,0|2,0,0]=4 544 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 5007AH [0,2,0,0,0,0|2,0,0]=4 545 B12R1.1703 O=C(CBr)C1=CC=C(Br)C=C1F V8244 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.1703 O=C(CBr)C1=CC=C(F)C=C1Cl V6902 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.1703 O=C(CBr)C1=CC=C(F)C=C1F Z6528 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.1703 O=C(CCl)C1=CC=C(F)C=C1O 5512AJ [0,2,0,0,0,0|2,0,0]=4 549 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O 8362AD [0,2,0,0,0,0|2,0,0]=4 550 B12R1.1703 O=C(NO)C1=C(O)C=C(Br)C=C1 6761AE [0,2,0,0,0,0|2,0,0]=4 551 B12R1.24 CC1=C(C(=O)NN)C=CC=C1Br 8491AC [0,2,0,0,0,0|2,0,0]=4 552 B12R1.24 CC1=C(O)C(C(=O)CCl)=CC=C1 5500AJ [0,2,0,0,0,0|2,0,0]=4 553 B12R1.24 CCC(=O)C1=CC=CC(Br)=C1F 5058AA [0,2,0,0,0,0|1,0,0]=3 554 B12R1.24 CNC(=O)C1=CC=CC(C)=C1N 3743AC [0,2,0,0,0,0|1,0,0]=3 555 B12R1.24 COC(=O)C1=C(C)C(Br)=CN=C1 Z0165 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.24 COC(=O)C1=C(Cl)C(O)=CC=C1 2195AA [0,2,0,0,0,0|0,0,0]=2 557 B12R1.24 COC(=O)C1=C(F)C(Br)=NC=C1 6949AJ [0,2,0,0,0,0|1,0,0]=3 558 B12R1.24 COC(=O)C1=CC=CC(F)=C1O Z1814 [0,2,0,0,0,0|0,0,0]=2 559 B12R1.24 COC(=O)C1=CC=CC(N)=C1Br Y5062 [0,2,0,0,0,0|0,0,0]=2 560 B12R1.225 CC(=O)C(=O)C1=CC(Cl)=CC=C1 8231AC [0,2,0,0,0,0|1,0,0]=3 561 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 V4617 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.225 CC(C)S(=O)C1=CC(Br)=CC=C1 Z9771 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.225 CC1=CC(C(=O)C(C)Br)=CC=C1 V3354 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.225 CN(C)C(=O)C1=CC=CC(O)=C1 7921AA [0,2,0,0,0,0|1,0,0]=3 565 B12R1.354 CC1=CC=C(C)C(C(=O)CBr)=C1 9302AE [0,2,0,0,0,0|2,0,0]=4 566 B12R1.354 CCC(=O)C1=CC(Br)=CC=C1F V8204 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.354 CCC(=O)C1=CC(Cl)=CC=C1Br 5004AA [0,2,0,0,0,0|1,0,0]=3 568 B12R1.354 CNC(=O)C1=CC(Br)=CC=C1Cl V5950 [0,2,0,0,0,0|1,0,0]=3 569 B12R1.354 COC(=O)C1=C(Br)C=NC(O)=N1 1168AC [0,2,0,0,0,0|2,0,0]=4 570 B12R1.354 COC(=O)C1=C(Br)N=CC(C)=C1 6449AA [0,2,0,0,0,0|1,0,0]=3 571 B12R1.354 COC(=O)C1=C(N)N=CC(C)=C1 W9139 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=N1 3564AB [0,2,0,0,0,0|1,0,0]=3 573 B12R1.354 COC(=O)C1=C(O)N=CC(C)=C1 7804AE [0,2,0,0,0,0|1,0,0]=3 574 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1C 1660AJ [0,2,0,0,0,0|1,0,0]=3 575 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1F 3937AC [0,2,0,0,0,0|1,0,0]=3 576 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1N 1540AA [0,2,0,0,0,0|1,0,0]=3 577 B12R1.354 COC(=O)C1=CC(F)=CC=C1Cl V7106 [0,2,0,0,0,0|0,0,0]=2 578 B12R1.354 COC(=O)C1=CC(F)=CC=C1I 3514AA [0,2,0,0,0,0|0,0,0]=2 579 B12R1.354 COC(=O)C1=CC(N)=CN=C1Cl V8677 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.354 COC(=O)C1=CC(O)=NC=C1Br W9383 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.354 COC(=O)C1=NC(C)=CC=C1O 9237AB [0,2,0,0,0,0|1,0,0]=3 582 B12R1.354 COC(=O)C1=NC(F)=CC=C1F 1139AD [0,2,0,0,0,0|1,0,0]=3 583 B12R1.354 COC(=O)C1=NC(N)=CC=C1Cl Z8970 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.354 NNC(=O)C1=C(Br)C=CC(Cl)=C1 7627AC [0,2,0,0,0,0|2,0,0]=4 585 B12R1.354 NNC(=O)C1=C(Cl)C=CC(Br)=C1 3710AD [0,2,0,0,0,0|2,0,0]=4 586 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 2457AE [0,2,0,0,0,0|2,0,0]=4 587 B12R1.354 NNC(=O)C1=CC(O)=CC=C1O 4972AD [0,2,0,0,0,0|2,0,0]=4 588 B12R1.358 CC1=CC(C)=CC(C(=O)NN)=C1 8958AD [0,2,0,0,0,0|2,0,0]=4 589 B12R1.358 COC(=O)C1=CC(Br)=CC(N)=N1 4278AC [0,2,0,0,0,0|1,0,0]=3 590 B12R1.358 COC(=O)C1=CC(C)=NC(C)=C1 4213AJ [0,2,0,0,0,0|1,0,0]=3 591 B12R1.358 COC(=O)C1=CC(Cl)=CC(O)=C1 4252AJ [0,2,0,0,0,0|0,0,0]=2 592 B12R1.358 COC(=O)C1=CC(O)=CC(N)=C1 V7259 [0,2,0,0,0,0|0,0,0]=2 593 B12R1.358 COC(=O)C1=CC(O)=NC(O)=C1 6928AJ [0,2,0,0,0,0|1,0,0]=3 594 B12R1.358 COC(=O)C1=NC(O)=NC(C)=C1 4865AC [0,2,0,0,0,0|2,0,0]=4 595 B12R1.358 NNC(=O)C1=CC(F)=CC(Br)=C1 Z7270 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.435 C#CC1=CC=CC(C(=O)OC)=N1 5368AC [0,2,0,0,0,0|1,0,0]=3 597 B12R1.435 CCC1=CC(C(=O)CBr)=CC=C1 2268AJ [0,2,0,0,0,0|2,0,0]=4 598 B12R1.435 CCC1=NC(C(=O)OC)=CC=C1 0924AA [0,2,0,0,0,0|1,0,0]=3 599 B12R1.435 CNC(=O)C1=NC=CC(NC)=C1 Z6897 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.435 COC(=O)C1=CC(OC)=CN=C1 Z0489 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.435 COC(=O)C1=CC=CC(CCl)=C1 F527 [0,2,0,0,0,0|0,0,0]=2 602 B12R1.435 COC(=O)C1=CC=NC(C=O)=C1 4740AA [0,2,0,0,0,0|1,0,0]=3 603 B12R1.435 COC(=O)C1=CN=CC(C#N)=C1 X8812 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.435 COC(=O)C1=CN=CC(SC)=C1 7104AJ [0,2,0,0,0,0|1,0,0]=3 605 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 X9328 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.435 COC1=CC=CC(C(=O)C#N)=C1 4276AH [0,2,0,0,0,0|2,0,0]=4 607 B12R1.124 CC1=CC=CN=C1C(=O)C(C)C Z8830 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl 5009AE [0,2,0,0,0,0|2,0,0]=4 609 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 5586AE [0,2,0,0,0,0|1,0,0]=3 610 B12R1.77 COC(=O)C1=C(CBr)N=CC=C1 2763AA [0,2,0,0,0,0|1,0,0]=3 611 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 5643AB [0,2,0,0,0,0|0,0,0]=2 612 B12R1.77 COC(=O)C1=CC=CN=C1C#N 6954AJ [0,2,0,0,0,0|1,0,0]=3 613 B12R1.77 COC(=O)C1=CC=NC=C1OC 8906AB [0,2,0,0,0,0|1,0,0]=3 614 B12R1.77 COC(=O)C1=CN=CC=C1CBr 2764AA [0,2,0,0,0,0|1,0,0]=3 615 B12R1.77 COC(=O)C1=NC=CN=C1OC 5349AB [0,2,0,0,0,0|2,0,0]=4 616 B12R1.77 COC1=CC=CC=C1C(=O)C#N 1225AC [0,2,0,0,0,0|2,0,0]=4 617 B12R1.77 COC1=CC=CC=C1C(=O)C=O 9051AD [0,2,0,0,0,0|2,0,0]=4 618 B12R1.77 CSC1=CC=CC=C1C(=O)NN 1854AF [0,2,0,0,0,0|2,0,0]=4 619 B12R1.77 N#CC1=C(C(=O)NN)C=CC=C1 0164AB [0,2,0,0,0,0|2,0,0]=4 620 B12R1.3441 COC(=O)C1=C(Br)C=CN=C1Cl 0183AP [0,2,0,0,0,0|1,0,0]=3 621 B12R1.3441 COC(=O)C1=C(Br)C=NC=C1F 3819AA [0,2,0,0,0,0|1,0,0]=3 622 B12R1.3441 COC(=O)C1=C(C)N=CN=C1C W8653 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.27 COC(=O)CC1=CSC=C1 3590AL [0,0,1,1,0,0|1,0,1]=4 624 B10R1.172 C=CC1=NC=CC(OC)=C1 3214AB [0,0,1,1,0,0|2,0,0]=4 625 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [1,0,0,1,0,0|0,1,1]=4 626 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 4843AB [0,0,0,1,0,1|2,0,0]=4 627 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 2448AL [0,0,0,1,0,1|1,0,0]=3 628 B12R2.18 CN1C(=S)NC2=CC=CC=C21 0345AQ [0,0,0,1,0,1|1,1,0]=4 629 B12R2.18 CN1C(=S)SC2=CC=CC=C21 Z2745 [0,0,0,1,0,1|1,1,0]=4 630 B12R2.18 O=C1OC2=CC=CC=C2C1Br 0372AQ [0,0,0,1,0,1|2,0,0]=4 631 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,1,0,1|1,0,0]=3 632 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 5286AB [0,0,0,1,0,1|2,0,0]=4 633 B12R2.24 O=C1COC2=CC=CC=C2C1 9923AA [0,0,0,1,0,1|2,0,0]=4 634 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [0,0,0,1,0,1|1,0,0]=3 635 B12R2.24 SC1=NC2=CC=CC=C2CS1 V6175 [0,0,0,1,0,1|0,2,0]=4 636 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 8751AA [0,0,0,1,0,1|2,0,0]=4 637 B12R2.32 CCC1=NC2=CC=CC=C2S1 3665AF [0,0,0,1,0,1|1,1,0]=4 638 B12R2.32 CNC1=NC2=C(C=CC=C2)O1 6658AD [0,0,0,1,0,1|1,0,1]=4 639 B12R2.32 CNC1=NC2=CC=CC=C2S1 8693AA [0,0,0,1,0,1|1,1,0]=4 640 B12R2.116 NC1(C2=CC=CC=C2)COC1 X3454 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.116 OC1(C2=CC=CC=C2)COC1 8374AE [0,1,0,1,0,0|0,0,2]=4 642 B12R2.1 COC1=NNC2=CC=CC=C21 9664AA [0,1,0,1,0,0|1,0,0]=3 643 B12R2.1 O=CC1=NNC2=C1C=CC=C2 5134AJ [0,1,0,1,0,0|2,0,0]=4 644 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 8800AA [0,1,0,1,0,0|1,0,1]=4 645 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [0,1,0,1,0,0|1,0,1]=4 646 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.1081 O=C1CCCC2=C1C=CN=C2 0827AA [0,1,0,1,0,0|2,0,0]=4 648 B12R2.1081 O=C1CCCC2=C1C=CN=C2 1097AB [0,1,0,1,0,0|2,0,0]=4 649 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B382 [0,1,0,1,0,0|1,0,0]=3 650 B12R2.1081 O=C1CCOC2=CC=CN=C12 Z4709 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.1081 O=C1NC=CC2=CC=CC=C12 6656AB [0,1,0,1,0,0|1,0,1]=4 652 B12R2.1081 O=C1NCCC2=C1C=CC=N2 Y7639 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [0,1,0,1,0,0|0,0,2]=4 654 B12R2.2028 CN1N=C(Br)C2=CC=CC=C21 V2198 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 6581AJ [0,1,0,1,0,0|2,0,0]=4 656 B12R2.2075 O=C(C1=NC=CC=C1)C2CC2 6580AJ [0,1,0,1,0,0|2,0,0]=4 657 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 3272AJ [0,1,0,1,0,0|0,0,0]=2 658 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 1199AB [0,1,0,1,0,0|2,0,0]=4 659 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 Z4499 [0,1,0,1,0,0|1,0,0]=3 660 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 Z5210 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.132 CC1=CC2=C(C=C1)ONC2=O 0075AC [0,1,0,1,0,0|2,0,0]=4 662 B12R2.132 NC1=CC2=C(C=C1)NNC2=O 4886AC [0,1,0,1,0,0|2,0,0]=4 663 B12R2.132 NC1=CC2=C(C=C1)ONC2=O 1421AC [0,1,0,1,0,0|2,0,0]=4 664 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 W5443 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 0124AC [0,1,0,1,0,0|1,0,0]=3 666 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 8589AB [0,1,0,1,0,0|1,0,0]=3 667 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 1873AB [0,1,0,1,0,0|2,0,0]=4 668 B12R2.132 O=C1OCC2=CC=C(F)C=C12 1691AB [0,1,0,1,0,0|0,0,0]=2 669 B12R2.132 OB1OCC2=C1C=C(O)C=C2 3393AA [0,1,0,1,0,0|1,0,1]=4 670 B12R2.196 O=C1COC2=C1C=CC=C2Cl 3655AB [0,1,0,1,0,0|2,0,0]=4 671 B12R2.196 O=C1COC2=C1C=CC=C2F 6026AC [0,1,0,1,0,0|2,0,0]=4 672 B12R2.196 O=C1NNC2=C1C=CC=C2F X3694 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 5201AB [0,1,0,1,0,0|1,0,0]=3 674 B12R2.203 CC1=C2C(=O)NCC2=CC=C1 3731AJ [0,1,0,1,0,0|1,0,0]=3 675 B12R2.203 NC1=CC=CC2=C1C(=O)CC2 Y5493 [0,1,0,1,0,0|1,0,0]=3 676 B12R2.203 O=C1CCC2=C1C(I)=CC=C2 9520AB [0,1,0,1,0,0|1,0,0]=3 677 B12R2.203 O=C1COC2=CC=CC(Br)=C12 0563AA [0,1,0,1,0,0|2,0,0]=4 678 B12R2.203 O=C1COC2=CC=CC(F)=C12 5225AC [0,1,0,1,0,0|2,0,0]=4 679 B12R2.203 O=C1COC2=CC=CC(I)=C12 3473AA [0,1,0,1,0,0|2,0,0]=4 680 B12R2.203 O=C1NNC2=CC=CC(F)=C12 X3692 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.203 O=C1OCC2=CC=CC(Cl)=C12 6485AJ [0,1,0,1,0,0|0,0,0]=2 682 B8R1.7 CC(=O)C1=CC=NO1 4156AC [1,0,0,0,1,0|2,0,0]=4 683 B8R1.7 CC(=O)C1=CN=CS1 5381AC [1,0,0,0,1,0|2,0,0]=4 684 B8R1.7 CC(=O)C1=NC=CO1 W8389 [1,0,0,0,1,0|2,0,0]=4 685 B8R1.7 CC(=O)C1=NOC=C1 4155AC [1,0,0,0,1,0|2,0,0]=4 686 B8R1.7 NC(=O)C1=CC=CN1 V6031 [1,0,0,0,1,0|2,0,0]=4 687 B8R1.7 NC(=O)C1=CNC=C1 1113AC [1,0,0,0,1,0|2,0,0]=4 688 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [1,0,0,0,1,0|2,0,0]=4 689 B8R1.7 O=C(O)C1=NSC=C1 6302AB [1,0,0,0,1,0|2,0,0]=4 690 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [1,0,0,0,1,0|1,0,0]=3 691 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,0,0,0,0,2|1,0,0]=3 692 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [0,0,0,0,0,2|1,0,0]=3 693 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,0,0,0,0,2|1,0,0]=3 694 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [0,0,0,0,0,2|0,0,0]=2 695 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 X7985 [0,0,0,0,0,2|2,0,0]=4 696 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 7817AD [0,0,0,0,0,2|2,0,0]=4 697 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [0,0,0,0,0,2|2,0,0]=4