0 B10R1.17 BrCCCC1=CC=CC=C1 3832 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 BrCCOC1=CC=CC=C1 3152 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 C#CCSC1=CC=CC=C1 15323 [0,0,0,0,0,0|1,1,1]=3 3 B10R1.17 C=CCOC1=CC=CC=C1 29359 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.17 C=COCC1=CC=CC=C1 36172 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 CCCCC1=CC=CC=C1 13571 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 CCNCC1=NC=CC=C1 23918 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.17 CNCCC1=CC=NC=C1 14195 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 ClCCOC1=CC=CC=C1 3167 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.17 ClCCSC1=CC=CC=C1 36163 [0,0,0,0,0,0|1,1,0]=2 11 B10R1.17 ClCOCC1=CC=CC=C1 7566 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 N#C\C=C\C1=CC=CC=C1 20433 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 NCCCC1=CC=CN=C1 23791 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 NCCOC1=CC=CC=C1 14773 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.17 NCCOC1=CC=CC=C1 15299 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.17 NNCCC1=CC=CC=C1 16246 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 NNCOC1=CC=CN=C1 16450 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [0,0,0,0,0,0|1,0,3]=4 19 B10R1.17 OCC#CC1=CC=CC=C1 13580 [0,0,0,0,0,0|1,0,1]=2 20 B10R1.17 OCCCC1=CC=CC=C1 15023 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.17 OCCCC1=CC=CN=C1 13083 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.17 OCCCC1=CC=NC=C1 13084 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.17 OCCCC1=NC=CC=C1 13082 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.17 OCCSC1=CC=CC=C1 10784 [0,0,0,0,0,0|0,1,0]=1 25 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [0,0,0,0,0,0|2,1,1]=4 26 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|0,1,2]=4 32 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|0,1,0]=2 37 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,0,0,0,0|1,1,0]=3 44 B9R1.8 N#CCC1=NC=CC=C1 9302 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,0,0,0,0|1,1,1]=4 56 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|1,1,0]=3 57 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|1,1,0]=3 58 B11R1.1 C#CCOC1=CC=C(N)C=C1 22969 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.1 CCCOC1=NC=C(Br)C=C1 22059 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.1 COCCc1ccc(O)cc1 27303 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.1 COCOC1=NC=C(Br)C=C1 20344 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.1 ClC1=CC=C(OCCBr)C=C1 17076 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.1 FC1=CC=C(OCCBr)C=C1 15003 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.1 N#CCCC1=CC=C(Br)C=C1 20432 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.1 N#CCCC1=CC=C(O)C=C1 13636 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 15005 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.1 NC1=CC=C(NCCO)C=C1 20871 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 NCCOC1=CC=C(F)C=C1 13107 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [0,1,0,0,0,0|1,0,2]=4 81 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.16 CCCC(=O)C1=CC=CN=C1 34740 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.17 CCCOC1=C(O)C=CC=C1 13203 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.17 CCCOC1=NC=CC=C1I 31888 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.17 CCCOC1=NC=CC=C1N 31889 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.17 FC1=C(OCCBr)C=CC=C1 16330 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.17 NCCOC1=C(F)C=CC=C1 19159 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [0,1,0,0,0,0|1,0,2]=4 106 B11R1.17 OCC#CC1=C(Cl)C=CN=C1 27130 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.24 CCCOC1=CC=CC(Br)=N1 9752 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.24 CCCOC1=CN=CC(C)=N1 32081 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.24 ClC1=CC=CC(OCCBr)=C1 27485 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.24 NCCOC1=CC(F)=CC=C1 19158 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.24 OCC#CC1=CC(Br)=CN=C1 16705 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.24 OCCCC1=CC(Cl)=CC=C1 3101 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.28 CCCCCC1=CC=CC=C1 16788 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.28 CCCCOC1=CC=CC=C1 12529 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.28 N#CCCNC1=CC=CC=C1 2335 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.28 N#CCNCC1=CC=CC=C1 27728 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.28 NCCSSC1=NC=CC=C1 11743 [0,1,0,0,0,0|2,1,0]=4 120 B11R1.28 O=C=NCCC1=CC=CC=C1 12396 [0,1,0,0,0,0|1,0,2]=4 121 B11R1.28 OCCCCC1=CC=CC=C1 3100 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.28 OCCCCC1=CC=NC=C1 19155 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.28 OCCNCC1=CC=CC=C1 12960 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.28 OCCOCC1=CC=CC=C1 1939 [0,1,0,0,0,0|0,0,0]=1 125 B11R1.28 OCCSCC1=CC=CC=C1 10801 [0,1,0,0,0,0|0,1,0]=2 126 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,1,0,0,0,0|0,0,2]=3 137 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,1,0,0,0,0|0,0,2]=3 140 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [0,1,0,0,0,0|0,0,2]=3 142 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.91 OB(O)CCc1ccccc1 14049 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [0,1,0,0,0,0|2,0,1]=4 151 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [0,0,0,1,0,0|1,0,2]=4 152 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,0,0,1,0,0|2,0,1]=4 153 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,0,0,1,0,0|2,0,0]=3 154 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [0,0,0,1,0,0|2,0,1]=4 155 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [0,0,0,1,0,0|2,0,1]=4 156 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.1 NC1COC2=NC=CC=C21 34572 [0,0,0,1,0,0|2,0,0]=3 158 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,0,0,1,0,0|2,0,0]=3 159 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,0,0,1,0,0|2,0,0]=3 160 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,0,0,1,0,0|2,0,0]=3 161 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,0,0,1,0,0|1,0,2]=4 162 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [0,0,0,1,0,0|0,0,2]=3 163 B11R2.1 O=C1COC2=C1C=NC=C2 24176 [0,0,0,1,0,0|1,0,2]=4 164 B11R2.1 O=C1COC2=CN=CC=C12 24154 [0,0,0,1,0,0|1,0,2]=4 165 B11R2.1 O=C1COC2=NC=CC=C12 24153 [0,0,0,1,0,0|1,0,2]=4 166 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [0,0,0,1,0,0|0,1,2]=4 167 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [0,0,0,1,0,0|1,0,2]=4 168 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [0,0,0,1,0,0|1,0,1]=3 169 B11R2.1 ON1N=NC2=C1C=CC=C2 12739 [0,0,0,1,0,0|3,0,0]=4 170 B11R2.1 ON1N=NC2=C1C=CC=C2 35769 [0,0,0,1,0,0|3,0,0]=4 171 B11R2.1 ON1N=NC2=C1C=CC=C2 9767 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,0,0,1,0,0|2,0,0]=3 173 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,0,0,1,0,0|2,0,0]=3 174 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,0,0,1,0,0|2,0,0]=3 176 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [0,0,0,1,0,0|3,0,0]=4 177 B11R2.20 C1=CC2=C(C=C1)OCCN2 22677 [0,0,0,1,0,0|1,0,0]=2 178 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [0,0,0,1,0,0|0,0,0]=1 179 B11R2.20 C1=CC2=C(CCCC2)N=C1 5891 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.20 C1=CC2=C(N=C1)NCCO2 18891 [0,0,0,1,0,0|2,0,0]=3 181 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.20 C1=CC=C2NCCCC2=C1 7513 [0,0,0,1,0,0|2,0,0]=3 183 B11R2.20 C1=CN=C2CCCOC2=C1 27198 [0,0,0,1,0,0|2,0,0]=3 184 B11R2.20 C1=CN=C2OCCOC2=C1 27263 [0,0,0,1,0,0|1,0,0]=2 185 B11R2.20 C1=NC=C2CCCNC2=C1 27821 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [0,0,0,1,0,0|1,1,0]=3 188 B9R1.12 OCCCC1=CN=CN1 34910 [0,0,0,0,1,0|3,0,0]=4 189 B9R1.12 OCCCN1C=CN=C1 23875 [0,0,0,0,1,0|3,0,0]=4 190 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 191 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 193 B8R1.2 CCC1=NC=NC=C1 23618 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|0,0,0]=2 197 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|0,0,0]=2 198 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|1,0,0]=3 199 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|1,0,0]=3 200 B8R1.2 COC1=CN=CN=C1 25073 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|1,0,0]=3 202 B8R1.2 COC1=NC=CN=C1 8605 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 COC1=NC=NC=C1 21029 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|0,1,0]=3 205 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|1,1,0]=4 206 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|1,0,1]=4 211 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|1,0,0]=3 212 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|1,0,0]=3 217 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.2 OCC1=CN=CN=C1 9758 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.2 OCC1=NC=CC=N1 9757 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.2 OCC1=NC=CN=C1 32128 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 OCC1=NC=NC=C1 9756 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|0,1,0]=3 224 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|1,1,0]=4 225 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|1,1,0]=4 226 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|1,1,0]=4 227 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.1 CCNC1=NC=C(Br)C=C1 22083 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|0,0,0]=2 233 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|0,0,0]=2 234 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|0,0,0]=2 235 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|0,0,0]=2 236 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|0,0,0]=2 237 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|0,0,0]=2 238 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|0,0,0]=2 239 B10R1.1 CCOC1=CN=C(Br)C=C1 5964 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.1 CCOC1=CN=C(Cl)C=C1 6218 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.1 CCOC1=NC=C(Br)C=C1 6235 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.1 CCOC1=NC=C(N)C=C1 6234 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|0,0,0]=2 256 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|0,0,2]=4 264 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|0,0,0]=2 266 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|0,0,0]=2 267 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|0,0,0]=2 268 B10R1.1 O\N=C\C1=CC=C(F)C=C1 24097 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.1 O\N=C\C1=CC=C(F)C=C1 3479 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.4 CCNC1=C(N)C=CN=C1 26071 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.4 CCNC1=NC=CC=C1N 6237 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,1,0,0,0,0|0,0,0]=2 276 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,1,0,0,0,0|0,0,0]=2 279 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,1,0,0,0,0|0,0,0]=2 280 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,1,0,0,0,0|0,0,0]=2 282 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,1,0,0,0,0|0,0,0]=2 286 B10R1.4 CCOC1=CC=CN=C1Br 5890 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.4 CCOC1=CC=CN=C1C 34423 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.4 CCOC1=CC=CN=C1N 5585 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.4 CCOC1=NC=CC=C1Br 6233 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.4 CCOC1=NC=CC=C1I 9248 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.4 CCOC1=NC=CN=C1C 9108 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,1,0,0,0,0|0,1,0]=3 293 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|0,0,0]=2 300 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.4 NNCc1ccccc1F 34909 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|0,0,0]=2 306 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|0,0,0]=2 308 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 3731 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.4 O\N=C\C1=C(F)C=CC=C1 28431 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.10 CCOC1=CC(F)=NC=C1 6672 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.10 CCOC1=CC(N)=NC=C1 5698 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.10 CCOC1=CC(N)=NC=N1 34822 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [1,1,0,0,0,0|0,0,0]=2 324 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.10 CCOC1=NC=NC(C)=C1 21485 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|0,0,0]=2 347 B10R1.10 O\N=C\C1=CC(Br)=CC=C1 3732 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.15 N#CC(N)c1ccccc1 28208 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,1,0,0,0,0|0,0,0]=2 369 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,1,0,0,0,0|0,0,1]=3 374 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,1,0,0,0,0|0,1,1]=4 378 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,1,0,0,0,0|0,0,2]=4 382 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,1,0,0,0,0|0,0,2]=4 386 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,1,0,0,0,0|0,0,1]=3 389 B12R1.1 CC1=CC=C(OCCCN)C=C1 19188 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.1 CCCCCC1=CC=C(N)C=C1 20586 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.1 CCCCCc1ccc(Br)cc1 10634 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.1 CCCCOC1=CC=C(O)C=C1 13206 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.1 CCCCOC1=NC=C(Br)C=C1 22137 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.1 FC1=CC=C(OCCCCl)C=C1 13184 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 19179 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.1 NCCCOC1=CC=C(F)C=C1 19164 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 21420 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 20483 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 13267 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 13270 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 13250 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [0,2,0,0,0,0|0,0,1]=3 404 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [0,2,0,0,0,0|0,0,1]=3 407 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 23966 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 23081 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 34144 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.69 CCCOC1=C(S)C=C(Cl)C=C1 6859 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 15107 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.69 ClC1=CC(Cl)=C(OCCBr)C=C1 3151 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 22224 [0,2,0,0,0,0|0,0,0]=2 414 B12R1.69 OCCOC1=NC=C(Br)C=C1O 26872 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.71 C#CC1=CC=C(CCCC)C=C1 10978 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.71 CCCOC1=CC=C(C=O)C=C1 20260 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.71 COC1=CC=C(CCCN)C=C1 13994 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.71 COC1=CC=C(CCCO)C=C1 14210 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.71 CSC1=CC=C(OCCN)C=C1 19160 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.71 O=CC1=CC=C(OCCO)C=C1 35274 [0,2,0,0,0,0|0,0,0]=2 421 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 22014 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 2152 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.385 CCCSC1=CC=C(N)C(N)=C1 44716 [0,2,0,0,0,0|1,1,0]=4 424 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 23460 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.17 N[C@H](CCO)C1=CC(Cl)=CC=C1 20484 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.30 CCCCC(=O)C1=CC=CC=C1 25461 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.30 CNCCC(=O)C1=CC=CC=C1 20705 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 24609 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.30 CNCCC(O)C1=CC=CC=C1 27334 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 23266 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 23246 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 19864 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.34 N[C@@H](CO)[C@@H](O)c1ccccc1 6415 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 16203 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 21426 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.25 CCCOC1=C(F)C(F)=CC=C1 21556 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.25 COCOC1=CC=CC(Br)=C1O 33840 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 3111 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.121 CCCOC1=C(C=O)C=CC=C1 3160 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.121 COC1=C(OCCBr)C=CC=C1 3133 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.121 COC1=C(OCCN)C=CC=C1 20696 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.121 COC1=C(OCCN)C=CC=C1 20697 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 13945 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 19212 [0,2,0,0,0,0|0,0,1]=3 454 B12R1.267 C=CCCOC1=CC=CN=C1Br 19242 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.267 CC1=C(OCCCN)C=CC=C1 19190 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.267 CCCCOC1=CC=CN=C1Br 5768 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.267 CCCCOC1=CC=CN=C1Cl 6126 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.267 N#CCCNC1=C(Cl)C=CC=C1 22029 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.267 NCCCOC1=C(Cl)C=CC=C1 19182 [0,2,0,0,0,0|1,0,0]=3 460 B12R1.267 NCCCOC1=C(F)C=CC=C1 19167 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.28 CC1=CC=CC(OCCCN)=C1 19189 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 19181 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.28 NCCCOC1=CC(F)=CC=C1 19165 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.100 CCCCC1=CC(F)=CC(F)=C1 26500 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 19211 [0,2,0,0,0,0|0,0,1]=3 470 B12R1.8 C=CCCNCC1=CC=CC=C1 14561 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.8 ClCCCCOC1=CC=CC=C1 13164 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.8 NCCCCCC1=CC=CC=C1 12508 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.8 O=CCCOCC1=CC=CC=C1 29295 [0,2,0,0,0,0|0,0,1]=3 474 B12R1.8 OCCCCCC1=CC=CC=C1 34219 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.8 OCCCOCC1=CC=CC=C1 20097 [0,2,0,0,0,0|0,0,0]=2 476 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,2,0,0,0,0|1,0,1]=4 477 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,2,0,0,0,0|0,0,1]=3 478 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,2,0,0,0,0|0,1,1]=4 479 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 13915 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [0,2,0,0,0,0|0,0,2]=4 489 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 14437 [0,2,0,0,0,0|0,0,2]=4 490 B12R1.252 O=C(O)CCSC1=CC=CC=C1 19766 [0,2,0,0,0,0|0,1,0]=3 491 B12R1.252 O=C(O)CNCC1=CC=CC=C1 23196 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.252 O=C(O)COCC1=CC=CC=C1 28933 [0,2,0,0,0,0|0,0,1]=3 493 B12R1.252 O=C(O)CSCC1=CC=CC=C1 25337 [0,2,0,0,0,0|0,1,1]=4 494 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.43 NC(CC1=CC=CC=C1)B(O)O 33620 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,2,0,0,0,0|1,0,1]=4 497 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33651 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33652 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,2,0,0,0,0|1,0,1]=4 501 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.118 OCC(CO)CC1=CC=CC=C1 35021 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 34777 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 10049 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.891 F[B-](F)(F)COC1=CC=CC=C1 11600 [0,2,0,0,0,0|2,0,0]=4 509 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|1,0,0]=3 510 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|0,0,0]=2 511 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|0,0,0]=2 512 B10R2.7 B1OC2=C(C=CC=C2)O1 18191 [1,0,0,1,0,0|1,0,0]=3 513 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [1,0,0,1,0,0|0,0,2]=4 514 B10R2.7 C1=CC2=C(C=C1)OC=N2 21884 [1,0,0,1,0,0|1,0,1]=4 515 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|0,0,0]=2 516 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|0,0,0]=2 517 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|1,0,1]=4 518 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|1,0,0]=3 519 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|2,0,0]=4 520 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|2,0,0]=4 521 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|2,0,0]=4 522 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|1,0,0]=3 523 B10R2.7 C1=CN=C2CCCC2=C1 15900 [1,0,0,1,0,0|2,0,0]=4 524 B10R2.7 C1=CN=C2NCCC2=C1 18022 [1,0,0,1,0,0|2,0,0]=4 525 B10R2.7 C1=NC=C2NCCC2=C1 18023 [1,0,0,1,0,0|2,0,0]=4 526 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,0]=3 527 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 22676 [0,1,0,1,0,0|1,0,0]=3 528 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 17444 [0,1,0,1,0,0|1,0,0]=3 529 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 3736 [0,1,0,1,0,0|0,0,0]=2 530 B12R2.24 BrC1=CC2=C(N=C1)NCCO2 18740 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.24 BrC1=CC=C2CCCNC2=C1 25212 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.24 BrC1=CC=C2CCCOC2=C1 34276 [0,1,0,1,0,0|1,0,0]=3 533 B12R2.24 BrC1=CC=C2NCCCC2=C1 24715 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.24 BrC1=CC=C2OCCCC2=C1 34593 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 34210 [0,1,0,1,0,0|1,0,0]=3 537 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 27891 [0,1,0,1,0,0|1,0,0]=3 538 B12R2.24 ClC1=CC=C2CCCNC2=C1 34604 [0,1,0,1,0,0|2,0,0]=4 539 B12R2.24 FC1=CC=C2NCCCC2=C1 27932 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.24 IC1=CC=C2OCCCC2=N1 27030 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.24 IC1=NC2=C(C=C1)NCCO2 26891 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.24 NC1=CC2=C(C=C1)NCCO2 33680 [0,1,0,1,0,0|1,0,0]=3 543 B12R2.24 NC1=CC2=C(C=C1)OCCO2 31954 [0,1,0,1,0,0|0,0,0]=2 544 B12R2.24 NC1=CC=C2CCCNC2=C1 5887 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.24 NC1=CN=C2OCCOC2=C1 26743 [0,1,0,1,0,0|1,0,0]=3 546 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,1,0,1,0,0|0,0,2]=4 548 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,1,0,1,0,0|0,0,2]=4 549 B12R2.24 OC1=CC2=C(C=C1)CCCC2 15404 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.24 OC1=CC2=C(C=C1)NCCO2 27735 [0,1,0,1,0,0|1,0,0]=3 551 B12R2.24 OC1=CC2=C(C=C1)OCCN2 20876 [0,1,0,1,0,0|1,0,0]=3 552 B12R2.24 OC1=CC=C2CCCNC2=C1 12787 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.24 OC1=CC=C2NCCCC2=C1 12785 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [0,1,0,1,0,0|1,0,0]=3 555 B12R2.24 OC1=CN=C2OCCOC2=C1 26747 [0,1,0,1,0,0|1,0,0]=3 556 B12R2.132 NC1CCC2=CC=C(O)C=C21 23073 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 23068 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 17377 [0,1,0,1,0,0|0,0,2]=4 559 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18004 [0,1,0,1,0,0|0,0,2]=4 560 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18005 [0,1,0,1,0,0|0,0,2]=4 561 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 18003 [0,1,0,1,0,0|0,0,2]=4 562 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 29714 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.2 C1=CC=C(C2CCNC2)C=C1 22374 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.2 C1=CC=C(C2CCNC2)C=C1 30375 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.2 C1=CC=C(N2CCCC2)C=C1 9192 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 15596 [0,1,0,1,0,0|2,0,0]=4 567 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23243 [0,1,0,1,0,0|2,0,0]=4 568 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 15595 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 23242 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 18577 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.27 OC[C@@H]1O[C@H]1C2=CC=CC=C2 11278 [0,1,0,1,0,0|0,0,0]=2 572 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 11277 [0,1,0,1,0,0|0,0,0]=2 573 B12R2.1081 BrC1=C2CCCNC2=CC=C1 24714 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.1081 BrC1=CN=CC2=C1NCCO2 27171 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.1081 C=C1CCOC2=CC=CN=C12 19243 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.1081 CC1NCCC2=CC=CC=C21 13018 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.1081 ClC1=C2CCCNC2=CC=C1 27777 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.1081 ClC1=C2NCCCC2=CC=C1 27930 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.1081 FC1=C2CCCNC2=CC=C1 33719 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.1081 FC1=C2CCCNC2=CC=C1 33720 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.1081 FC1=CC=CC2=C1NCCO2 34402 [0,1,0,1,0,0|1,0,0]=3 582 B12R2.1081 NC1=CC=CC2=C1OCCO2 34197 [0,1,0,1,0,0|0,0,0]=2 583 B12R2.1081 NC1CCCC2=CC=CC=C21 14041 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.1081 NC1CCOC2=CC=CC=C21 27739 [0,1,0,1,0,0|1,0,0]=3 585 B12R2.1081 NC1COCC2=CC=CC=C21 14613 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.1081 NC1CSCC2=CC=CC=C21 14610 [0,1,0,1,0,0|1,1,0]=4 587 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 13011 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.1081 N[C@H]1CCCc2ccccc21 11534 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.1081 O=C1CCCC2=CC=CC=C12 13786 [0,1,0,1,0,0|1,0,1]=4 590 B12R2.1081 O=C1CCNC2=CC=CC=C12 21010 [0,1,0,1,0,0|1,0,1]=4 591 B12R2.1081 O=C1CCOC2=CC=CC=C12 9708 [0,1,0,1,0,0|0,0,1]=3 592 B12R2.1081 O=C1CCOC2=CC=CN=C12 19245 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.1081 OC1=C2NCCCC2=CC=C1 12789 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.1081 OC1=CC=CC2=C1CCCC2 22497 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.1081 OC1=CC=CC2=C1OCCN2 27893 [0,1,0,1,0,0|1,0,0]=3 596 B12R2.1081 OC1=CC=CC2=C1OCCO2 34482 [0,1,0,1,0,0|0,0,0]=2 597 B12R2.1081 OC1CCCC2=C1N=CC=C2 17102 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.1081 OC1CCNC2=CC=CC=C21 31803 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 33484 [0,1,0,1,0,0|1,0,1]=4 601 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 7021 [0,1,0,1,0,0|0,0,1]=3 602 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 7590 [0,1,0,1,0,0|1,0,1]=4 603 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 14535 [0,1,0,1,0,0|0,1,1]=4 604 B12R2.196 O=C1COC2=C1C=CC=C2Cl 17867 [0,1,0,1,0,0|0,0,2]=4 605 B12R2.196 O=C1COC2=C1C=CC=C2I 17884 [0,1,0,1,0,0|0,0,2]=4 606 B12R2.196 OC1CCC2=C(Cl)C=CN=C21 32252 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.225 OC1=C(OC2CC2)C=CC=C1 26352 [0,1,0,1,0,0|1,0,0]=3 608 B12R2.203 O=C1COC2=C1C(Cl)=CC=C2 17974 [0,1,0,1,0,0|0,0,2]=4 609 B12R2.203 O=C1COC2=C1C(F)=CC=C2 17972 [0,1,0,1,0,0|0,0,2]=4 610 B12R2.203 O=C1COC2=C1C(I)=CC=C2 17978 [0,1,0,1,0,0|0,0,2]=4 611 B12R2.612 NC1COC2=C1C=CC(Br)=C2 17825 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.612 NC1COC2=C1C=CC(Br)=C2 23149 [0,1,0,1,0,0|1,0,0]=3 613 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 17998 [0,1,0,1,0,0|0,0,2]=4 614 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 17996 [0,1,0,1,0,0|0,0,2]=4 615 B12R2.612 O=C1COC2=C1C=CC(I)=C2 22336 [0,1,0,1,0,0|0,0,2]=4 616 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [0,1,0,1,0,0|0,0,2]=4 617 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 11268 [0,1,0,1,0,0|1,0,1]=4 618 B12R2.1286 BrC1=CC(OC2CC2)=NC=C1 33639 [0,1,0,1,0,0|2,0,0]=4 619 B12R2.1 BrCC1=NOC2=C1C=CC=C2 26214 [0,1,0,1,0,0|1,0,1]=4 620 B12R2.1 OCC1=NNC2=CC=CC=C21 11866 [0,1,0,1,0,0|1,0,1]=4 621 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 14082 [0,1,0,1,0,0|0,0,0]=2 622 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 14080 [0,1,0,1,0,0|0,0,0]=2 623 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 5733 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O 16026 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O 5732 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [0,1,0,1,0,0|1,0,0]=3 627 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 18679 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.8 CCOC1=NC=CS1 9943 [1,0,0,0,1,0|2,0,0]=4 629 B8R1.8 NCCC1=CC=CS1 5579 [1,0,0,0,1,0|2,0,0]=4 630 B8R1.8 NCCC1=CC=CS1 8859 [1,0,0,0,1,0|2,0,0]=4 631 B8R1.8 NCCC1=CSC=C1 14605 [1,0,0,0,1,0|2,0,0]=4 632 B8R1.8 NCCC1=CSC=C1 24381 [1,0,0,0,1,0|2,0,0]=4 633 B8R1.8 OCCC1=CC=CS1 5581 [1,0,0,0,1,0|1,0,0]=3 634 B8R1.8 OCCC1=CNN=C1 7849 [1,0,0,0,1,0|2,0,0]=4 635 B8R1.8 OCCC1=CSC=C1 20415 [1,0,0,0,1,0|1,0,0]=3 636 B8R1.8 OCCN1C=CN=C1 7607 [1,0,0,0,1,0|2,0,0]=4