0 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.40 COC(=O)CC1=NC=CN=C1 27419 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,0,0,0,0,0|3,1,0]=4 12 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 N#C\C=C\C1=CC=CC=C1 20433 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.18 CC(=O)NC1=CN=CN=C1 25070 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,0,0,0,0,0|0,0,2]=3 33 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,0,0,0,0,0|2,1,0]=4 34 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.18 O=C(O)CC1=CN=CN=C1 13279 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,0,0,0,0,0|0,0,1]=2 40 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [1,0,0,0,0,0|1,0,1]=3 43 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,0,0,0,0,0|0,1,0]=2 44 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.32 CCOC(=O)CC1=NC=CC=N1 18563 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 13915 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 9267 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 20242 [0,1,0,0,0,0|0,0,1]=2 54 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 19449 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [0,1,0,0,0,0|0,0,0]=1 58 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [0,1,0,0,0,0|0,0,0]=1 59 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [0,1,0,0,0,0|0,0,0]=1 60 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [0,1,0,0,0,0|0,0,0]=1 61 B12R1.34 COC(Br)C(=O)C1=CC=CC=C1 2120 [0,1,0,0,0,0|1,0,2]=4 62 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 17496 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,1,0,0,0,0|0,0,0]=1 64 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,1,0,0,0,0|0,0,0]=1 66 B12R1.49 COC(=O)CC1=CCN(C)C=C1 13711 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 8401 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 25681 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.50 CCC(=O)NC1=CC(Br)=CN=C1 20352 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 28864 [0,1,0,0,0,0|0,0,0]=1 71 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 28843 [0,1,0,0,0,0|0,0,0]=1 72 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 31448 [0,1,0,0,0,0|0,0,0]=1 73 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 27416 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 25850 [0,1,0,0,0,0|1,0,0]=2 75 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 8398 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [0,1,0,0,0,0|0,0,0]=1 77 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 8396 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,0,0,1,0,0|2,0,1]=4 80 B12R2.18 CN1C(S)=NC2=C1C=CC=C2 8070 [0,0,0,1,0,0|2,1,0]=4 81 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,0,0,1,0,0|2,0,0]=3 82 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 NN1CCC2=CC=CC=C2C1 27729 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,0,0,1,0,0|2,0,1]=4 85 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,0,0,1,0,0|0,0,0]=1 87 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,0,0,1,0,0|1,0,0]=2 88 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.32 CCC1=CC2=CC=CC=C2N1 22566 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 21432 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 21889 [0,0,0,1,0,0|1,1,1]=4 94 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 21828 [0,0,0,1,0,0|1,2,0]=4 95 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,0,0,0,1,0|1,0,1]=3 96 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [0,0,0,0,1,0|2,0,1]=4 97 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [0,0,0,0,1,0|2,0,0]=3 98 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,0,0,0,1,0|2,0,1]=4 99 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [0,0,0,0,1,0|2,0,1]=4 100 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [0,0,0,0,1,0|2,0,1]=4 101 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,0,0,0,1,0|1,0,0]=2 102 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,0,0,0,1,0|2,0,1]=4 103 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [0,0,0,0,1,0|1,0,0]=2 104 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [0,0,0,0,1,0|1,0,0]=2 105 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [0,0,0,0,1,0|2,0,0]=3 106 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [0,0,0,0,1,0|1,0,0]=2 107 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [0,0,0,0,1,0|2,0,0]=3 108 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [0,0,0,0,1,0|2,0,0]=3 109 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [0,0,0,0,1,0|2,0,0]=3 110 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,0,0,0,1,0|2,0,0]=3 111 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,0,0,0,1,0|2,0,0]=3 112 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,0,0,0,1,0|2,0,0]=3 113 B10R1.15 NNC(=O)C1=NC=CC=C1 23651 [0,0,0,0,1,0|3,0,0]=4 114 B10R1.15 NNC(=O)c1ccccc1 21535 [0,0,0,0,1,0|2,0,0]=3 115 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [0,0,0,0,1,0|3,0,0]=4 116 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,0,0,0,1,0|2,0,0]=3 117 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [0,0,0,0,1,0|3,0,0]=4 118 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,0,0,0,1,0|2,0,0]=3 119 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,0,0,0,1,0|2,0,0]=3 120 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,0,0,0,1,0|2,0,0]=3 121 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [0,0,0,0,0,1|1,0,1]=3 122 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,0,0,0,0,1|0,0,0]=1 123 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,0,0,0,0,1|0,0,0]=1 124 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,0,0,0,0,1|0,0,0]=1 125 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [0,0,0,0,0,1|0,0,1]=2 126 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,0,0,0,0,1|2,0,0]=3 127 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,0,0,0,0,1|2,0,0]=3 128 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [0,0,0,0,0,1|2,0,0]=3 129 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [0,0,0,0,0,1|2,0,0]=3 130 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [0,0,0,0,0,1|2,0,0]=3 131 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,0,0,0,0,1|2,0,0]=3 132 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 C=CCC1=CC=CC=C1 29358 [2,0,0,0,0,0|0,0,1]=3 134 B9R1.8 C=CSC1=CC=CC=C1 10778 [2,0,0,0,0,0|1,0,1]=4 135 B9R1.8 CCCC1=CC=CC=C1 10852 [2,0,0,0,0,0|0,0,1]=3 136 B9R1.8 CCCC1=CC=NC=C1 15021 [2,0,0,0,0,0|1,0,1]=4 137 B9R1.8 CCSC1=CC=CC=C1 10773 [2,0,0,0,0,0|1,0,1]=4 138 B9R1.8 CNCC1=CC=CC=C1 19910 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.8 CNCC1=CC=CC=C1 25218 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.8 CNCC1=CC=CC=C1 5801 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.8 COCC1=CC=CC=C1 15300 [2,0,0,0,0,0|0,0,0]=2 142 B9R1.8 ClCCC1=CC=CC=C1 26674 [2,0,0,0,0,0|1,0,1]=4 143 B9R1.8 NCCc1ccccc1 21077 [2,0,0,0,0,0|1,0,1]=4 144 B9R1.8 NNCC1=CC=CC=C1 29056 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 NOCC1=CC=CC=C1 24804 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.8 NOCC1=CC=CC=C1 7095 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 OCCC1=NC=CC=C1 2593 [2,0,0,0,0,0|1,0,1]=4 148 B9R1.8 ONCC1=CC=CC=C1 25520 [2,0,0,0,0,0|1,0,0]=3 149 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.1 COCCc1ccc(O)cc1 27303 [1,1,0,0,0,0|0,0,1]=3 154 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.28 CCCCCC1=CC=CC=C1 16788 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.28 CCCCOC1=CC=CC=C1 12529 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.28 OCCCCC1=CC=CC=C1 3100 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.28 OCCNCC1=CC=CC=C1 12960 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.28 OCCOCC1=CC=CC=C1 1939 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.28 OCCSCC1=CC=CC=C1 10801 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [1,1,0,0,0,0|0,0,0]=2 167 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [1,1,0,0,0,0|0,0,0]=2 168 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [1,1,0,0,0,0|0,0,0]=2 169 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [1,1,0,0,0,0|0,0,0]=2 170 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [1,1,0,0,0,0|0,1,0]=3 183 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [1,1,0,0,0,0|0,0,0]=2 187 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [1,1,0,0,0,0|0,0,0]=2 190 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [1,1,0,0,0,0|0,0,0]=2 193 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [1,1,0,0,0,0|0,0,0]=2 194 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [1,1,0,0,0,0|0,0,0]=2 195 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [1,1,0,0,0,0|0,0,0]=2 196 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [1,1,0,0,0,0|0,0,0]=2 197 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [1,1,0,0,0,0|0,0,1]=3 200 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [1,1,0,0,0,0|0,0,0]=2 201 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [1,1,0,0,0,0|0,0,0]=2 202 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [1,1,0,0,0,0|0,0,0]=2 203 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [1,1,0,0,0,0|0,0,0]=2 206 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [1,1,0,0,0,0|0,0,0]=2 207 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [1,1,0,0,0,0|0,0,0]=2 208 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [1,1,0,0,0,0|0,0,0]=2 209 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [1,1,0,0,0,0|0,0,0]=2 210 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [1,1,0,0,0,0|0,0,0]=2 211 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [1,1,0,0,0,0|0,0,0]=2 212 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [1,1,0,0,0,0|0,0,0]=2 213 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 9601 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 26792 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 26790 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.86 CC(=O)NC1=NC=CC=C1Br 25022 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.86 CC(=O)NC1=NC=CC=C1O 26791 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [1,1,0,0,0,0|0,0,0]=2 224 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [1,1,0,0,0,0|0,0,0]=2 226 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [1,1,0,0,0,0|0,0,0]=2 227 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [1,1,0,0,0,0|0,0,0]=2 228 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [1,1,0,0,0,0|0,0,0]=2 229 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [1,1,0,0,0,0|0,0,0]=2 230 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [1,1,0,0,0,0|0,0,0]=2 231 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [1,1,0,0,0,0|0,0,0]=2 232 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [1,1,0,0,0,0|0,0,0]=2 233 B11R1.157 CC(=O)NC1=CC(Br)=CN=C1 20022 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.157 CC(=O)NC1=CC(C)=NC=C1 26051 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 12418 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 25034 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 25032 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 16556 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [1,1,0,0,0,0|0,0,0]=2 246 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [1,1,0,0,0,0|0,0,0]=2 247 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [1,1,0,0,0,0|0,0,0]=2 248 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [1,1,0,0,0,0|0,0,0]=2 249 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [1,1,0,0,0,0|0,0,0]=2 250 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [1,1,0,0,0,0|0,0,0]=2 252 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 22292 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 21920 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 26241 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7798 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7799 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 10753 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 5036 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 10864 [0,1,0,0,1,0|2,0,0]=4 260 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 22730 [0,1,0,0,1,0|1,0,0]=3 261 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [0,1,0,0,1,0|0,0,2]=4 262 B11R1.12 C\C=C(\C=O)C1=CC=CC=C1 10989 [0,1,0,0,1,0|1,0,0]=3 263 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,1,0,0,1,0|2,0,0]=4 264 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,1,0,0,1,0|2,0,0]=4 265 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,1,0,0,1,0|2,0,0]=4 266 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,1,0,0,1,0|2,0,0]=4 267 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [0,1,0,0,1,0|1,0,0]=3 268 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,1,0,0,1,0|1,0,0]=3 269 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [0,1,0,0,1,0|1,0,0]=3 270 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [0,1,0,0,1,0|1,0,0]=3 271 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [0,1,0,0,1,0|1,0,0]=3 272 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 3962 [0,1,0,0,1,0|0,0,0]=2 273 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [0,1,0,0,1,0|0,0,0]=2 274 B11R1.22 COC(=O)C1=CC=C(C)N=N1 18664 [0,1,0,0,1,0|2,0,0]=4 275 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 3708 [0,1,0,0,1,0|0,0,0]=2 276 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 36193 [0,1,0,0,1,0|2,0,0]=4 277 B11R1.22 COC(=O)C1=CC=C(F)C=C1 3566 [0,1,0,0,1,0|0,0,0]=2 278 B11R1.22 COC(=O)C1=CC=C(I)C=C1 20378 [0,1,0,0,1,0|0,0,0]=2 279 B11R1.22 COC(=O)C1=CC=C(N)C=C1 28506 [0,1,0,0,1,0|0,0,0]=2 280 B11R1.22 COC(=O)C1=CC=C(O)C=C1 27407 [0,1,0,0,1,0|0,0,0]=2 281 B11R1.22 COC(=O)C1=CC=C(O)C=C1 35335 [0,1,0,0,1,0|0,0,0]=2 282 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 14326 [0,1,0,0,1,0|1,0,0]=3 283 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 27820 [0,1,0,0,1,0|2,0,0]=4 284 B11R1.22 COC(=O)C1=CN=C(C)C=C1 13718 [0,1,0,0,1,0|1,0,0]=3 285 B11R1.22 COC(=O)C1=CN=C(C)N=C1 21597 [0,1,0,0,1,0|2,0,0]=4 286 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 13584 [0,1,0,0,1,0|1,0,0]=3 287 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 9777 [0,1,0,0,1,0|2,0,0]=4 288 B11R1.22 COC(=O)C1=CN=C(F)C=C1 10629 [0,1,0,0,1,0|1,0,0]=3 289 B11R1.22 COC(=O)C1=CN=C(N)C=C1 2418 [0,1,0,0,1,0|1,0,0]=3 290 B11R1.22 COC(=O)C1=CN=C(N)N=C1 27978 [0,1,0,0,1,0|2,0,0]=4 291 B11R1.22 COC(=O)C1=CNC(=O)N=C1 34673 [0,1,0,0,1,0|2,0,0]=4 292 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 10589 [0,1,0,0,1,0|1,0,0]=3 293 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 21032 [0,1,0,0,1,0|2,0,0]=4 294 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 21394 [0,1,0,0,1,0|2,0,0]=4 295 B11R1.22 COC(=O)C1=NC=C(N)N=C1 32171 [0,1,0,0,1,0|2,0,0]=4 296 B11R1.22 COC(=O)C1=NC=C(O)N=C1 9107 [0,1,0,0,1,0|2,0,0]=4 297 B11R1.22 COC(=O)C1=NNC(=O)C=C1 19275 [0,1,0,0,1,0|2,0,0]=4 298 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 29245 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 3743 [0,1,0,0,1,0|2,0,0]=4 303 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 3622 [0,1,0,0,1,0|2,0,0]=4 304 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 3483 [0,1,0,0,1,0|2,0,0]=4 305 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 3885 [0,1,0,0,1,0|2,0,0]=4 306 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 16821 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 3260 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 13415 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 22524 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 3320 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 7424 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 3372 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 3269 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 29269 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 35120 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 19020 [0,1,0,0,1,0|1,0,0]=3 322 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 3083 [0,1,0,0,1,0|1,0,0]=3 323 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 28263 [0,1,0,0,1,0|1,0,0]=3 324 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 25952 [0,1,0,0,1,0|1,0,0]=3 325 B11R1.23 CNC(=O)C1=CC(Br)=NC=C1 9637 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 14198 [0,1,0,0,1,0|1,0,0]=3 327 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 14985 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.23 COC(=O)C1=CC(=O)NC=C1 23888 [0,1,0,0,1,0|1,0,0]=3 329 B11R1.23 COC(=O)C1=CC(=O)NC=N1 23276 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 3961 [0,1,0,0,1,0|0,0,0]=2 331 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 15172 [0,1,0,0,1,0|1,0,0]=3 332 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 36244 [0,1,0,0,1,0|0,0,0]=2 333 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 4067 [0,1,0,0,1,0|1,0,0]=3 334 B11R1.23 COC(=O)C1=CC(F)=CC=C1 25450 [0,1,0,0,1,0|0,0,0]=2 335 B11R1.23 COC(=O)C1=CC(F)=NC=C1 13579 [0,1,0,0,1,0|1,0,0]=3 336 B11R1.23 COC(=O)C1=CC(I)=CC=C1 28675 [0,1,0,0,1,0|0,0,0]=2 337 B11R1.23 COC(=O)C1=CC(I)=NC=C1 26906 [0,1,0,0,1,0|1,0,0]=3 338 B11R1.23 COC(=O)C1=CC(N)=CC=C1 16709 [0,1,0,0,1,0|0,0,0]=2 339 B11R1.23 COC(=O)C1=CC(N)=NC=C1 33513 [0,1,0,0,1,0|1,0,0]=3 340 B11R1.23 COC(=O)C1=CC(N)=NC=C1 4069 [0,1,0,0,1,0|1,0,0]=3 341 B11R1.23 COC(=O)C1=CC(O)=CC=C1 12550 [0,1,0,0,1,0|0,0,0]=2 342 B11R1.23 COC(=O)C1=CC(S)=CC=C1 20230 [0,1,0,0,1,0|0,0,0]=2 343 B11R1.23 COC(=O)C1=CC=CC(C)=C1 15491 [0,1,0,0,1,0|0,0,0]=2 344 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 22051 [0,1,0,0,1,0|1,0,0]=3 345 B11R1.23 COC(=O)C1=CN=CC(C)=C1 27511 [0,1,0,0,1,0|1,0,0]=3 346 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 7573 [0,1,0,0,1,0|1,0,0]=3 347 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 27818 [0,1,0,0,1,0|2,0,0]=4 348 B11R1.23 COC(=O)C1=NC(Br)=NC=C1 34380 [0,1,0,0,1,0|2,0,0]=4 349 B11R1.23 COC(=O)C1=NC(C)=CC=C1 20955 [0,1,0,0,1,0|1,0,0]=3 350 B11R1.23 COC(=O)C1=NC(C)=CN=C1 32142 [0,1,0,0,1,0|2,0,0]=4 351 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 13587 [0,1,0,0,1,0|1,0,0]=3 352 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 16685 [0,1,0,0,1,0|2,0,0]=4 353 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 26242 [0,1,0,0,1,0|2,0,0]=4 354 B11R1.23 COC(=O)C1=NC(F)=CC=C1 13582 [0,1,0,0,1,0|1,0,0]=3 355 B11R1.23 COC(=O)C1=NC(I)=CC=C1 9291 [0,1,0,0,1,0|1,0,0]=3 356 B11R1.23 COC(=O)C1=NC(N)=CC=C1 18281 [0,1,0,0,1,0|1,0,0]=3 357 B11R1.23 COC(=O)C1=NC(N)=CN=C1 19897 [0,1,0,0,1,0|2,0,0]=4 358 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 12733 [0,1,0,0,1,0|1,0,0]=3 359 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 9224 [0,1,0,0,1,0|1,0,0]=3 360 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 9577 [0,1,0,0,1,0|1,0,0]=3 361 B11R1.23 COC(=O)C1=NC=CC(I)=C1 25750 [0,1,0,0,1,0|1,0,0]=3 362 B11R1.23 COC(=O)C1=NC=CC(N)=C1 26057 [0,1,0,0,1,0|1,0,0]=3 363 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 23630 [0,1,0,0,1,0|2,0,0]=4 364 B11R1.23 NCC(=O)c1cccc(Br)c1 31219 [0,1,0,0,1,0|2,0,0]=4 365 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 3621 [0,1,0,0,1,0|2,0,0]=4 366 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 3482 [0,1,0,0,1,0|2,0,0]=4 367 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 29255 [0,1,0,0,1,0|2,0,0]=4 368 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 29257 [0,1,0,0,1,0|2,0,0]=4 369 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 13417 [0,1,0,0,1,0|2,0,0]=4 370 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 16446 [0,1,0,0,1,0|2,0,0]=4 371 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 3370 [0,1,0,0,1,0|2,0,0]=4 372 B11R1.23 O=C(CCl)C1=CC(O)=CC=C1 16445 [0,1,0,0,1,0|2,0,0]=4 373 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 10937 [0,1,0,0,1,0|1,0,0]=3 374 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 12315 [0,1,0,0,1,0|2,0,0]=4 375 B11R1.23 O=CC(=O)C1=CC(Cl)=CC=C1 12320 [0,1,0,0,1,0|2,0,0]=4 376 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 19917 [0,1,0,0,1,0|1,0,0]=3 377 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [0,1,0,0,1,0|1,0,0]=3 378 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 15000 [0,1,0,0,1,0|2,0,0]=4 379 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 3956 [0,1,0,0,1,0|0,0,0]=2 380 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 17290 [0,1,0,0,1,0|1,0,0]=3 381 B11R1.222 COC(=O)C1=C(C)N=CC=C1 2218 [0,1,0,0,1,0|1,0,0]=3 382 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 3707 [0,1,0,0,1,0|0,0,0]=2 383 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 15917 [0,1,0,0,1,0|1,0,0]=3 384 B11R1.222 COC(=O)C1=C(F)C=CC=C1 3565 [0,1,0,0,1,0|0,0,0]=2 385 B11R1.222 COC(=O)C1=C(F)N=CC=C1 10628 [0,1,0,0,1,0|1,0,0]=3 386 B11R1.222 COC(=O)C1=C(I)C=CC=C1 10568 [0,1,0,0,1,0|0,0,0]=2 387 B11R1.222 COC(=O)C1=C(N)C=NC=C1 9599 [0,1,0,0,1,0|1,0,0]=3 388 B11R1.222 COC(=O)C1=C(N)C=NC=C1 9760 [0,1,0,0,1,0|1,0,0]=3 389 B11R1.222 COC(=O)C1=C(N)N=CC=C1 16778 [0,1,0,0,1,0|1,0,0]=3 390 B11R1.222 COC(=O)C1=CC=CC=C1C 15492 [0,1,0,0,1,0|0,0,0]=2 391 B11R1.222 COC(=O)C1=CC=CC=C1N 13629 [0,1,0,0,1,0|0,0,0]=2 392 B11R1.222 COC(=O)C1=CC=CC=C1S 10565 [0,1,0,0,1,0|0,0,0]=2 393 B11R1.222 COC(=O)C1=CC=CN=C1Br 14383 [0,1,0,0,1,0|1,0,0]=3 394 B11R1.222 COC(=O)C1=CC=CNC1=O 19579 [0,1,0,0,1,0|1,0,0]=3 395 B11R1.222 COC(=O)C1=CN=CC=C1C 21351 [0,1,0,0,1,0|1,0,0]=3 396 B11R1.222 COC(=O)C1=CN=CC=C1N 25347 [0,1,0,0,1,0|1,0,0]=3 397 B11R1.222 COC(=O)C1=CN=CN=C1O 21479 [0,1,0,0,1,0|2,0,0]=4 398 B11R1.222 COC(=O)C1=NC=CC=C1Cl 32244 [0,1,0,0,1,0|1,0,0]=3 399 B11R1.222 COC(=O)C1=NC=CC=C1O 25563 [0,1,0,0,1,0|1,0,0]=3 400 B11R1.222 COC(=O)C1=NC=CN=C1Br 32147 [0,1,0,0,1,0|2,0,0]=4 401 B11R1.222 COC(=O)C1=NC=CN=C1Cl 32119 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.222 COC(=O)C1=NC=CN=C1I 32125 [0,1,0,0,1,0|2,0,0]=4 403 B11R1.222 COC(=O)C1=NC=CN=C1N 8549 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.222 NC1=C(C(=O)CBr)C=CC=C1 29244 [0,1,0,0,1,0|2,0,0]=4 405 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 29248 [0,1,0,0,1,0|2,0,0]=4 406 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 29130 [0,1,0,0,1,0|2,0,0]=4 407 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 3742 [0,1,0,0,1,0|2,0,0]=4 408 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 3481 [0,1,0,0,1,0|2,0,0]=4 409 B11R1.222 NNC(=O)C1=CC=CC=C1O 22912 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 16835 [0,1,0,0,1,0|2,0,0]=4 411 B11R1.222 O=C(CBr)c1ccccc1Cl 11080 [0,1,0,0,1,0|2,0,0]=4 412 B11R1.30 CCOC(=O)CC1=CC=CO1 17309 [0,1,0,0,1,0|1,0,0]=3 413 B11R1.30 CCOC(=O)CC1=CC=CS1 7414 [0,1,0,0,1,0|1,0,0]=3 414 B11R1.228 COC(=O)CC1=CC=CN1C 20390 [0,1,0,0,1,0|1,0,0]=3 415 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 22930 [0,1,0,0,0,1|0,0,0]=2 416 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 35755 [0,1,0,0,0,1|0,0,0]=2 417 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 28884 [0,1,0,0,0,1|0,0,0]=2 418 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 31615 [0,1,0,0,0,1|0,0,0]=2 419 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 8193 [0,1,0,0,0,1|0,0,1]=3 420 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 3126 [0,1,0,0,0,1|0,0,1]=3 421 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 28883 [0,1,0,0,0,1|0,0,0]=2 422 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 27528 [0,1,0,0,0,1|0,0,1]=3 423 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 20207 [0,1,0,0,0,1|1,0,1]=4 424 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [0,1,0,0,0,1|0,0,0]=2 425 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [0,1,0,0,0,1|0,0,0]=2 426 B13R1.42 CCOC(=O)COC1=CC=CN=C1 16756 [0,1,0,0,0,1|1,0,0]=3 427 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [0,1,0,0,0,1|0,0,0]=2 428 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 20165 [0,1,0,0,0,1|1,0,1]=4 429 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 12070 [0,1,0,0,0,1|1,0,0]=3 430 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [0,1,0,0,0,1|0,0,0]=2 431 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [0,1,0,0,0,1|0,0,0]=2 432 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [0,1,0,0,0,1|0,0,0]=2 433 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [0,1,0,0,0,1|0,0,0]=2 434 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [0,1,0,0,0,1|0,0,0]=2 435 B13R1.135 N[C@H](Cc1ccccc1)C(=O)CCl 11515 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 12308 [0,1,0,0,0,1|1,0,0]=3 437 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 12863 [0,1,0,0,0,1|1,0,0]=3 438 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 18931 [0,1,0,0,0,1|1,0,0]=3 439 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 36205 [0,1,0,0,0,1|1,0,0]=3 440 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 18755 [0,1,0,0,0,1|2,0,0]=4 441 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 28882 [0,1,0,0,0,1|0,0,0]=2 442 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 20039 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 28874 [0,2,0,0,0,0|0,0,0]=2 444 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 17208 [0,2,0,0,0,0|0,0,0]=2 445 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 12861 [0,2,0,0,0,0|0,0,0]=2 446 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=N1 19413 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.44 CCOCC(=O)NC1=CC=CC=C1 3367 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 14031 [0,2,0,0,0,0|0,0,1]=3 449 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 10349 [0,2,0,0,0,0|0,0,0]=2 450 B13R1.47 CCOC(=O)[C@H](N)c1ccccc1 10931 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 35734 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.21 COC(=O)C(C)C1=CC=C(N)C=C1 33691 [0,2,0,0,0,0|0,0,0]=2 453 B13R1.21 COC(=O)C(C)C1=CC=C(O)C=C1 35786 [0,2,0,0,0,0|0,0,0]=2 454 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 13992 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.21 COC(=O)[C@H](N)C1=CC=C(F)C=C1 13991 [0,2,0,0,0,0|0,0,0]=2 456 B13R1.22 COC(=O)C(N)c1cccc(F)c1 31500 [0,2,0,0,0,0|0,0,0]=2 457 B13R1.532 COC(=O)C(CN)C1=CC=CC=C1 22931 [0,2,0,0,0,0|0,0,0]=2 458 B13R1.696 COC(=O)C(Br)C1=C(Cl)C=CC=C1 17573 [0,2,0,0,0,0|0,0,0]=2 459 B13R1.696 COC(=O)C(Cl)C1=C(Cl)C=CC=C1 15001 [0,2,0,0,0,0|0,0,0]=2 460 B13R1.696 COC(=O)[C@@H](N)c1ccccc1Cl 20841 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.696 COC(=O)[C@@H](N)c1ccccc1Cl 6252 [0,2,0,0,0,0|0,0,0]=2 462 B13R1.696 COC(=O)[C@H](N)c1ccccc1Cl 6250 [0,2,0,0,0,0|0,0,0]=2 463 B13R1.708 COC(=O)C(C)(C)C1=CC=CC=C1 15089 [0,2,0,0,0,0|0,0,0]=2 464 B13R1.708 COC(=O)C(Cl)(Cl)C1=CC=CC=C1 21356 [0,2,0,0,0,0|0,0,0]=2 465 B13R1.148 CN(C)C(=O)OC1=CC(N)=CC=C1 34287 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 31476 [0,2,0,0,0,0|0,0,0]=2 467 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 31843 [0,2,0,0,0,0|0,0,0]=2 468 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 31845 [0,2,0,0,0,0|0,0,0]=2 469 B13R1.5 COC(=O)Cc1ccc(C#N)cc1 19607 [0,2,0,0,0,0|0,0,0]=2 470 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 3014 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.2679 COC(=O)CC1=C(Cl)C=C(F)C=C1 16488 [0,2,0,0,0,0|0,0,0]=2 472 B13R1.2879 COC(=O)CC1=CC(C)=C(O)C=C1 31449 [0,2,0,0,0,0|0,0,0]=2 473 B13R1.2879 COC(=O)CC1=CC(Cl)=C(Cl)C=C1 20251 [0,2,0,0,0,0|0,0,0]=2 474 B13R1.2879 COC(=O)CC1=CC(Cl)=C(O)C=C1 28854 [0,2,0,0,0,0|0,0,0]=2 475 B13R1.2879 COC(=O)CC1=CC(F)=C(C)C=C1 31475 [0,2,0,0,0,0|0,0,0]=2 476 B13R1.2879 COC(=O)CC1=CC(N)=C(Cl)C=C1 13749 [0,2,0,0,0,0|0,0,0]=2 477 B13R1.2872 COC(=O)CC1=C(Br)C=CC(Cl)=C1 31511 [0,2,0,0,0,0|0,0,0]=2 478 B13R1.2874 COC(=O)CC1=NC(C)=NC(O)=C1 21489 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.2874 NNC(=O)CC1=CC(F)=CC(F)=C1 36189 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.91 COC(=O)CC1=C(C#N)C=CC=C1 28856 [0,2,0,0,0,0|0,0,0]=2 481 B11R1.25 COC(=O)CCC1=CC=CS1 16785 [0,0,1,1,0,0|1,0,1]=4 482 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [1,0,0,1,0,0|1,0,0]=3 483 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [1,0,0,1,0,0|2,0,0]=4 484 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [1,0,0,1,0,0|2,0,0]=4 485 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [1,0,0,1,0,0|1,0,1]=4 486 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [1,0,0,1,0,0|1,0,1]=4 487 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [1,0,0,1,0,0|2,0,0]=4 488 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [1,0,0,1,0,0|1,0,1]=4 489 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [1,0,0,1,0,0|0,0,1]=3 490 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [1,0,0,1,0,0|1,0,1]=4 491 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [1,0,0,1,0,0|1,0,1]=4 492 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [1,0,0,1,0,0|1,0,1]=4 493 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [1,0,0,1,0,0|1,0,1]=4 494 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [1,0,0,1,0,0|2,0,0]=4 495 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [1,0,0,1,0,0|1,0,0]=3 496 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [1,0,0,1,0,0|1,0,1]=4 497 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [1,0,0,1,0,0|2,0,0]=4 498 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [1,0,0,1,0,0|1,0,1]=4 499 B11R2.10 CC1=NC2=C(C=CC=C2)S1 10877 [1,0,0,1,0,0|1,1,0]=4 500 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [1,0,0,1,0,0|1,0,1]=4 501 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [1,0,0,1,0,0|2,0,0]=4 502 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [1,0,0,1,0,0|2,0,0]=4 503 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [1,0,0,1,0,0|1,0,1]=4 504 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [1,0,0,1,0,0|2,0,0]=4 505 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [1,0,0,1,0,0|0,0,0]=2 506 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [1,0,0,1,0,0|0,0,0]=2 507 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [1,0,0,1,0,0|1,0,0]=3 508 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [1,0,0,1,0,0|2,0,0]=4 509 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [1,0,0,1,0,0|2,0,0]=4 510 B11R2.10 O=C1CN2C=CC=CC2=N1 23698 [1,0,0,1,0,0|2,0,0]=4 511 B11R2.10 O=C1CN2C=CC=CC2=N1 23703 [1,0,0,1,0,0|2,0,0]=4 512 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [1,0,0,1,0,0|1,0,0]=3 513 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [1,0,0,1,0,0|1,1,0]=4 514 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [1,0,0,1,0,0|2,0,0]=4 515 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [1,0,0,1,0,0|2,0,0]=4 516 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [1,0,0,1,0,0|0,0,2]=4 517 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [1,0,0,1,0,0|1,1,0]=4 518 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 6076 [0,0,0,1,0,1|0,0,0]=2 519 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 6077 [0,0,0,1,0,1|0,0,0]=2 520 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 15912 [0,0,0,1,0,1|1,0,1]=4 521 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 27598 [0,0,0,1,0,1|1,0,0]=3 522 B13R2.57 COC1=CC2=CC=CC=C2C=C1 29075 [0,0,0,1,0,1|1,0,1]=4 523 B13R2.57 COC1=NC2=CC=CC=C2C=C1 23493 [0,0,0,1,0,1|1,0,1]=4 524 B13R2.373 O=C1NC(C2=CC=CC=C2)C1O 24548 [0,0,0,1,0,1|2,0,0]=4 525 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@@H]1O 24545 [0,0,0,1,0,1|2,0,0]=4 526 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O 24544 [0,0,0,1,0,1|2,0,0]=4 527 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 24546 [0,0,0,1,0,1|2,0,0]=4 528 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@H]1O 24547 [0,0,0,1,0,1|2,0,0]=4 529 B13R2.15 O=C1CCCN1C2=CC=CC=C2 23691 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.26 CCCC1=CC2=CC=CC=C2C1 5403 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 13599 [0,1,0,1,0,0|1,0,1]=4 532 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 7453 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.45 CCC1CC2=CC=CC=C2C1=O 5351 [0,1,0,1,0,0|1,0,1]=4 534 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 16250 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.435 CC(C)C1=CC2=CC=CC=C2C1 35010 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 26065 [0,1,0,1,0,0|1,0,0]=3 538 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 16126 [0,1,0,1,0,0|1,0,0]=3 539 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 17577 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 34522 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2C1 17950 [0,1,0,1,0,0|1,0,0]=3 542 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 17949 [0,1,0,1,0,0|1,0,0]=3 543 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 27931 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.3683 O=C1CCC2=CC(I)=CC=C2C1 17952 [0,1,0,1,0,0|1,0,0]=3 545 B13R2.3683 O=C1CCc2cc(O)ccc2N1 5863 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.3683 O=C1COC2=CC(Br)=CC=C2C1 18376 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2C1 18375 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.3683 O=C1COC2=CC(F)=CC=C2C1 18374 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 29214 [0,1,0,1,0,0|1,0,0]=3 550 B13R2.54 CCC1=CC2=CC=CC(Cl)=C2C1 5400 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 19778 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.155 O=C1CCC2=CC=C(Br)C=C2C1 18150 [0,1,0,1,0,0|1,0,0]=3 553 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2C1 18149 [0,1,0,1,0,0|1,0,0]=3 554 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 25678 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.155 O=C1CCC2=CC=C(F)C=C2C1 18147 [0,1,0,1,0,0|1,0,0]=3 556 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 14908 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.155 O=C1COC2=CC=C(Br)C=C2C1 18399 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 18387 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.155 O=C1COC2=CC=C(F)C=C2C1 18379 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 17236 [0,1,0,1,0,0|1,0,0]=3 561 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 17936 [0,1,0,1,0,0|1,0,0]=3 562 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 17935 [0,1,0,1,0,0|1,0,0]=3 563 B13R2.5179 O=C1CCC2=C(I)C=CC=C2C1 17938 [0,1,0,1,0,0|1,0,0]=3 564 B13R2.5179 O=C1CCC2=C(O)C=CC=C2N1 24134 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.5179 O=C1COC2=C(Br)C=CC=C2C1 18173 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.162 NC1=C2CC(=O)CCC2=CC=C1 19266 [0,1,0,1,0,0|1,0,0]=3 567 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 17944 [0,1,0,1,0,0|1,0,0]=3 568 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 17943 [0,1,0,1,0,0|1,0,0]=3 569 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 17942 [0,1,0,1,0,0|1,0,0]=3 570 B13R2.162 O=C1CCC2=CC=CC(I)=C2C1 17945 [0,1,0,1,0,0|1,0,0]=3 571 B13R2.162 O=C1CCC2=CC=CC(O)=C2C1 16050 [0,1,0,1,0,0|1,0,0]=3 572 B13R2.162 O=C1COC2=CC=CC(Br)=C2C1 18371 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.162 O=C1COC2=CC=CC(Cl)=C2C1 18193 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [1,0,0,0,1,0|1,0,0]=3 575 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [1,0,0,0,1,0|2,0,0]=4 576 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [1,0,0,0,1,0|1,0,0]=3 577 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [1,0,0,0,1,0|2,0,0]=4 578 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [1,0,0,0,1,0|1,0,0]=3 579 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [1,0,0,0,1,0|2,0,0]=4 580 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [1,0,0,0,1,0|2,0,0]=4 581 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [1,0,0,0,1,0|2,0,0]=4 582 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,0,0,1,0|1,0,1]=4 583 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,0,0,1,0|1,0,1]=4 584 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,0,0,1,0|2,0,0]=4 585 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,0,0,1,0|1,0,1]=4 586 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,0,0,1,0|1,0,1]=4 587 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,0,0,1,0|1,0,1]=4 588 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,0,0,1,0|0,0,2]=4 589 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,0,0,1,0|1,0,1]=4 590 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,0,0,1,0|1,0,1]=4 591 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,0,0,1,0|0,0,2]=4 592 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [1,0,0,0,1,0|2,0,0]=4 593 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,0,0,1,0|1,1,0]=4 594 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,0,0,1,0|1,1,0]=4 595 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [1,0,0,0,1,0|1,0,0]=3 596 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [1,0,0,0,1,0|2,0,0]=4 597 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [1,0,0,0,1,0|2,0,0]=4 598 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [1,0,0,0,1,0|2,0,0]=4 599 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [1,0,0,0,1,0|2,0,0]=4 600 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [1,0,0,0,1,0|1,0,0]=3 601 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [1,0,0,0,1,0|1,0,0]=3 602 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [1,0,0,0,1,0|2,0,0]=4 603 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [1,0,0,0,1,0|2,0,0]=4 604 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [1,0,0,0,1,0|1,0,0]=3 605 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [1,0,0,0,1,0|2,0,0]=4 606 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [1,0,0,0,1,0|2,0,0]=4 607 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [1,0,0,0,1,0|2,0,0]=4 608 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [1,0,0,0,1,0|1,0,1]=4 609 B9R1.6 OB(O)C1=CC=CC=C1 1753 [1,0,0,0,1,0|1,0,1]=4 610 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [1,0,0,0,1,0|0,1,0]=3 611 B9R1.13 CC(=O)NC1=CC=CS1 5216 [1,0,0,0,1,0|2,0,0]=4 612 B9R1.13 O=C(Cl)CC1=CC=CS1 5578 [1,0,0,0,1,0|2,0,0]=4 613 B9R1.13 O=C(O)CC1=CC=CO1 17310 [1,0,0,0,1,0|1,0,0]=3 614 B9R1.13 O=C(O)CC1=CC=CS1 5168 [1,0,0,0,1,0|1,0,0]=3 615 B9R1.13 O=C(O)CC1=CSC=C1 5586 [1,0,0,0,1,0|1,0,0]=3 616 B9R1.13 O=C(O)CC1=NC=CN1 18001 [1,0,0,0,1,0|2,0,0]=4 617 B9R1.13 O=C(O)CN1C=CN=C1 7609 [1,0,0,0,1,0|2,0,0]=4 618 B9R1.13 O=C(O)CN1C=CN=C1 8383 [1,0,0,0,1,0|2,0,0]=4 619 B9R1.11 CCC(=O)C1=CC=CS1 12618 [0,0,0,0,2,0|2,0,0]=4 620 B9R1.11 COC(=O)C1=CC=CN1 9141 [0,0,0,0,2,0|1,0,0]=3 621 B9R1.11 COC(=O)C1=CC=CO1 7090 [0,0,0,0,2,0|1,0,0]=3 622 B9R1.11 COC(=O)C1=CC=CS1 19955 [0,0,0,0,2,0|1,0,0]=3 623 B9R1.11 COC(=O)C1=CN=CS1 17249 [0,0,0,0,2,0|2,0,0]=4 624 B9R1.11 COC(=O)C1=CNC=C1 22507 [0,0,0,0,2,0|1,0,0]=3 625 B9R1.11 COC(=O)C1=CNC=N1 16142 [0,0,0,0,2,0|2,0,0]=4 626 B9R1.11 COC(=O)C1=CSC=N1 15784 [0,0,0,0,2,0|2,0,0]=4 627 B9R1.11 COC(=O)C1=NC=CN1 23680 [0,0,0,0,2,0|2,0,0]=4 628 B9R1.11 COC(=O)C1=NNC=C1 14332 [0,0,0,0,2,0|2,0,0]=4