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|3,0,0]=3 2 B10R1.17 C#CCSC1=CC=CC=C1 15323 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 C=CCOC1=CC=CC=C1 29359 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 C=COCC1=CC=CC=C1 36172 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 CCCCC1=CC=CC=C1 13571 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.17 CCNCC1=NC=CC=C1 23918 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CNCCC1=CC=NC=C1 14195 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 ClCCOC1=CC=CC=C1 3167 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 ClCCSC1=CC=CC=C1 36163 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 15 B10R1.17 NCCOC1=CC=CC=C1 15299 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.17 NNCCC1=CC=CC=C1 16246 [0,0,0,0,0,0|1,0,0]=1 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|2,0,2]=4 19 B10R1.17 OCC#CC1=CC=CC=C1 13580 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.17 OCCCC1=CC=CC=C1 15023 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.17 OCCCC1=CC=CN=C1 13083 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.17 OCCCC1=CC=NC=C1 13084 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.17 OCCCC1=NC=CC=C1 13082 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.17 OCCSC1=CC=CC=C1 10784 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [0,0,0,0,0,0|2,0,1]=3 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|0,0,2]=3 31 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|0,0,0]=1 38 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|0,0,0]=1 39 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|0,0,0]=1 40 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|1,0,0]=2 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|2,0,0]=3 44 B9R1.8 N#CCC1=NC=CC=C1 9302 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|0,0,0]=1 50 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|2,0,0]=3 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|2,0,1]=4 56 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.1 C#CCOC1=CC=C(N)C=C1 22969 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.1 CC1=CC=C(CSC#N)C=C1 31941 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.1 CCCCC1=CN=C(Cl)N=C1 9033 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.1 CCCOC1=NC=C(Br)C=C1 22059 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [0,1,0,0,0,0|0,0,0]=1 68 B11R1.1 COCCc1ccc(O)cc1 27303 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.1 COCOC1=NC=C(Br)C=C1 20344 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.1 ClC1=CC=C(OCCBr)C=C1 17076 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.1 FC1=CC=C(CN=C=S)C=C1 5031 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.1 FC1=CC=C(OCCBr)C=C1 15003 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.1 N#CCCC1=CC=C(Br)C=C1 20432 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.1 N#CCCC1=CC=C(O)C=C1 13636 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 15005 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.1 NC1=CC=C(NCCO)C=C1 20871 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.1 NCCOC1=CC=C(F)C=C1 13107 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.1 O=C=NCC1=CC=C(F)C=C1 28902 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.16 CCCC(=O)C1=CC=CN=C1 34740 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [0,1,0,0,0,0|0,0,1]=2 91 B11R1.16 C[C@@H](N=C=O)c1ccccc1 8096 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 8097 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.17 CCCOC1=C(O)C=CC=C1 13203 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.17 CCCOC1=NC=CC=C1I 31888 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.17 CCCOC1=NC=CC=C1N 31889 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.17 FC1=C(OCCBr)C=CC=C1 16330 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.17 NCCOC1=C(F)C=CC=C1 19159 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.24 CCCOC1=CC=CC(Br)=N1 9752 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.24 ClC1=CC=CC(OCCBr)=C1 27485 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.24 NCCOC1=CC(F)=CC=C1 19158 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.24 O=C=NCC1=CC(F)=CC=C1 16233 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.24 OCCCC1=CC(Cl)=CC=C1 3101 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.28 CCCCCC1=CC=CC=C1 16788 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.28 CCCCOC1=CC=CC=C1 12529 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.28 N#CCCNC1=CC=CC=C1 2335 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.28 N#CCNCC1=CC=CC=C1 27728 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.28 O=C=NCCC1=CC=CC=C1 12396 [0,1,0,0,0,0|0,0,2]=3 124 B11R1.28 OCCCCC1=CC=CC=C1 3100 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.28 OCCCCC1=CC=NC=C1 19155 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.28 OCCNCC1=CC=CC=C1 12960 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.28 OCCOCC1=CC=CC=C1 1939 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.28 OCCSCC1=CC=CC=C1 10801 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,1,0,0,0,0|1,0,1]=3 131 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.91 OB(O)CCc1ccccc1 14049 [0,1,0,0,0,0|2,0,0]=3 159 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,0,0,1,0,0|1,0,1]=3 160 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [0,0,0,1,0,0|2,0,1]=4 161 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [0,0,0,1,0,0|2,0,1]=4 162 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,0,0,1,0,0|1,0,2]=4 164 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,0,0,1,0,0|2,0,0]=3 165 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [0,0,0,1,0,0|0,0,2]=3 166 B11R2.1 CN1C=CC2=CC=CN=C21 35080 [0,0,0,1,0,0|1,0,2]=4 167 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [0,0,0,1,0,0|1,0,1]=3 168 B11R2.1 CN1C=NC2=CC=CN=C21 26941 [0,0,0,1,0,0|2,0,1]=4 169 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [0,0,0,1,0,0|2,0,0]=3 170 B11R2.1 NC1=NCc2ccccc21 31698 [0,0,0,1,0,0|3,0,0]=4 171 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,0,0,1,0,0|2,0,0]=3 172 B11R2.1 NN1N=NC2=C1C=CC=C2 19954 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,0,0,1,0,0|2,0,0]=3 174 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,0,0,1,0,0|2,0,0]=3 176 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,0,0,1,0,0|2,0,0]=3 177 B11R2.1 O=C1CCc2ncccc21 26187 [0,0,0,1,0,0|3,0,0]=4 178 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [0,0,0,1,0,0|3,0,0]=4 179 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.1 ON1N=NC2=C1C=CC=C2 12739 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.1 ON1N=NC2=C1C=CC=C2 35769 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.1 ON1N=NC2=C1C=CC=C2 9767 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,0,0,1,0,0|1,0,0]=2 186 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,0,0,1,0,0|2,0,0]=3 188 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,0,0,1,0,0|2,0,0]=3 189 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [0,0,0,1,0,0|1,0,0]=2 190 B11R2.20 C1=CC2=C(C=C1)OCCN2 22677 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.20 C1=CC2=C(CCCC2)N=C1 5891 [0,0,0,1,0,0|2,0,0]=3 193 B11R2.20 C1=CC2=C(CCNC2)N=C1 15462 [0,0,0,1,0,0|1,0,0]=2 194 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [0,0,0,1,0,0|0,0,0]=1 195 B11R2.20 C1=CC=C2NCCCC2=C1 7513 [0,0,0,1,0,0|2,0,0]=3 196 B11R2.20 C1=CN=C2CCCOC2=C1 27198 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.20 C1=NC2=C(CCCC2)N=C1 15475 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.20 C1=NC=C2CCCNC2=C1 27821 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.20 C1=NC=NC2=C1CCNC2 34166 [0,0,0,1,0,0|2,0,0]=3 200 B11R2.20 C1=NC=NC2=C1CNCC2 15503 [0,0,0,1,0,0|2,0,0]=3 201 B11R2.20 C1=NC=NC2=C1CNCC2 33335 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [0,0,0,1,0,0|0,0,0]=1 203 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [0,0,0,1,0,0|2,0,0]=3 204 B9R1.12 CCCCC1=CNN=C1 21800 [0,0,0,0,1,0|3,0,0]=4 205 B9R1.12 CCCCN1C=CN=C1 18588 [0,0,0,0,1,0|3,0,0]=4 206 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 209 B8R1.2 CCC1=NC=NC=C1 23618 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|1,0,0]=3 212 B8R1.2 CNC1=CN=CN=C1 25066 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|1,0,0]=3 214 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|1,0,0]=3 215 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|0,0,2]=4 225 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|0,0,0]=2 226 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|1,0,0]=3 229 B8R1.2 NCC1=NC=CC=N1 26329 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 NCC1=NC=CN=C1 17822 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.2 NNC1=CC=NC=C1 16313 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 NNC1=NC=CC=C1 22630 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|1,0,0]=3 238 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|0,0,2]=4 243 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|0,0,0]=2 244 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.1 CCCC1=CN=C(Cl)N=C1 7036 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.1 CCCC1=CN=C(S)N=C1 9576 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.1 CCNC1=NC=C(Br)C=C1 22083 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.1 CCOC1=CN=C(Br)C=C1 5964 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.1 CCOC1=CN=C(Cl)C=C1 6218 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.1 CCOC1=NC=C(Br)C=C1 6235 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.1 CCOC1=NC=C(N)C=C1 6234 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,1,0,0,0,0|0,0,2]=4 266 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,1,0,0,0,0|0,0,2]=4 267 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,1,0,0,0,0|0,0,2]=4 268 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,1,0,0,0,0|0,0,2]=4 269 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,1,0,0,0,0|0,0,2]=4 270 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|0,0,2]=4 271 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|0,0,0]=2 273 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|0,0,0]=2 274 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|0,0,0]=2 276 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|0,0,0]=2 277 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|0,0,0]=2 278 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|0,0,0]=2 279 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [1,1,0,0,0,0|0,0,2]=4 286 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|0,0,0]=2 287 B10R1.4 CCNC1=C(N)C=CN=C1 26071 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.4 CCNC1=NC=CC=C1N 6237 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.4 CCOC1=CC=CN=C1Br 5890 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.4 CCOC1=CC=CN=C1C 34423 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.4 CCOC1=CC=CN=C1N 5585 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.4 CCOC1=NC=CC=C1Br 6233 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.4 CCOC1=NC=CC=C1I 9248 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [1,1,0,0,0,0|0,0,2]=4 309 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [1,1,0,0,0,0|0,0,2]=4 310 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [1,1,0,0,0,0|0,0,2]=4 311 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [1,1,0,0,0,0|0,0,2]=4 312 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.4 NNCc1ccccc1F 34909 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.10 CCCC1=NC(Cl)=NC=C1 9829 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.10 CCOC1=CC(F)=NC=C1 6672 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.10 CCOC1=CC(N)=NC=C1 5698 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|0,0,0]=2 341 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.10 COCC1=CN=CC(Br)=C1 22088 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [1,1,0,0,0,0|0,0,2]=4 345 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [1,1,0,0,0,0|0,0,2]=4 346 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [1,1,0,0,0,0|0,0,2]=4 347 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [1,1,0,0,0,0|0,0,2]=4 348 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [1,1,0,0,0,0|0,0,2]=4 349 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|0,0,0]=2 351 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|0,0,0]=2 354 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|0,0,0]=2 356 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [1,1,0,0,0,0|0,0,2]=4 361 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,1,0,0,0,0|0,0,0]=2 363 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,1,0,0,0,0|0,0,0]=2 365 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,1,0,0,0,0|0,0,0]=2 369 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.15 N#CC(N)c1ccccc1 28208 [1,1,0,0,0,0|0,0,2]=4 371 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [1,1,0,0,0,0|0,0,1]=3 373 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [1,1,0,0,0,0|0,0,1]=3 374 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.15 NNC(=O)c1ccccc1 21535 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,1,0,0,0,0|0,0,0]=2 394 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.21 CCCCCC1=CC=CO1 7059 [0,1,0,0,1,0|2,0,0]=4 401 B10R1.27 CNC(C)CC1=CC=CS1 24793 [0,1,0,0,1,0|1,0,0]=3 402 B12R1.1 CC1=CC=C(OCCCN)C=C1 19188 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.1 CCCCCC1=CC=C(N)C=C1 20586 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.1 CCCCCc1ccc(Br)cc1 10634 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.1 CCCCOC1=CC=C(O)C=C1 13206 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.1 CCCCOC1=NC=C(Br)C=C1 22137 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.1 FC1=CC=C(OCCCCl)C=C1 13184 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 19179 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.1 NCCCOC1=CC=C(F)C=C1 19164 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 21420 [0,2,0,0,0,0|1,0,1]=4 411 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 18243 [0,2,0,0,0,0|0,0,0]=2 412 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 20483 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 15217 [0,2,0,0,0,0|0,0,0]=2 415 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 23966 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 23081 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 34144 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.69 CCCOC1=C(S)C=C(Cl)C=C1 6859 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 15107 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.71 C#CC1=CC=C(CCCC)C=C1 10978 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.71 CCCOC1=CC=C(C=O)C=C1 20260 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.71 CCNCC1=CC=C(OC)C=C1 26458 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.71 COC1=CC=C(CCC=O)C=C1 10913 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.71 COC1=CC=C(CCCN)C=C1 13994 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.71 COC1=CC=C(CCCO)C=C1 14210 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 2152 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.385 CCCSC1=CC=C(N)C(N)=C1 44716 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.17 CNC[C@H](O)c1cccc(O)c1 23988 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 23460 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.17 N[C@H](CCO)C1=CC(Cl)=CC=C1 20484 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.30 CCCCC(=O)C1=CC=CC=C1 25461 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.30 CNCCC(=O)C1=CC=CC=C1 20705 [0,2,0,0,0,0|0,0,0]=2 439 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 24609 [0,2,0,0,0,0|0,0,0]=2 440 B12R1.30 CNCCC(O)C1=CC=CC=C1 27334 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 23266 [0,2,0,0,0,0|0,0,0]=2 442 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 23246 [0,2,0,0,0,0|0,0,0]=2 443 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.34 COC(Br)C(=O)C1=CC=CC=C1 2120 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.34 N[C@@H](CO)[C@@H](O)c1ccccc1 6415 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 16203 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 16362 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 21426 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.25 CCCOC1=C(F)C(F)=CC=C1 21556 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.25 COCOC1=CC=CC(Br)=C1O 33840 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.121 CCCOC1=C(C=O)C=CC=C1 3160 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.267 CC1=C(OCCCN)C=CC=C1 19190 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.267 CCCCOC1=CC=CN=C1Br 5768 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.267 CCCCOC1=CC=CN=C1Cl 6126 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.267 N#CCCNC1=C(Cl)C=CC=C1 22029 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.267 NCCCOC1=C(Cl)C=CC=C1 19182 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.267 NCCCOC1=C(F)C=CC=C1 19167 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.28 CC1=CC=CC(OCCCN)=C1 19189 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 19181 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.28 NCCCOC1=CC(F)=CC=C1 19165 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 28864 [0,2,0,0,0,0|1,0,1]=4 479 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 28843 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 31448 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 27416 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.100 CCCCC1=CC(F)=CC(F)=C1 26500 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.8 C=CCCNCC1=CC=CC=C1 14561 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.8 ClCCCCOC1=CC=CC=C1 13164 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.8 NCCCCCC1=CC=CC=C1 12508 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.8 O=CCCOCC1=CC=CC=C1 29295 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.8 OCCCCCC1=CC=CC=C1 34219 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.8 OCCCOCC1=CC=CC=C1 20097 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,2,0,0,0,0|1,0,1]=4 498 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.252 CC(=O)NCCC1=CC=CC=C1 18566 [0,2,0,0,0,0|0,0,0]=2 507 B12R1.252 NC(=O)NOCC1=CC=CC=C1 19804 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 14437 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.252 O=C(O)CCSC1=CC=CC=C1 19766 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.252 O=C(O)CNCC1=CC=CC=C1 23196 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.252 O=C(O)COCC1=CC=CC=C1 28933 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.252 O=C(O)CSCC1=CC=CC=C1 25337 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.43 NC(CC1=CC=CC=C1)B(O)O 33620 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33651 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33652 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.118 OCC(CO)CC1=CC=CC=C1 35021 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 10049 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 11290 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 31402 [0,2,0,0,0,0|2,0,0]=4 530 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|0,0,0]=2 531 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|1,0,0]=3 532 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|1,0,0]=3 533 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [1,0,0,1,0,0|1,0,1]=4 534 B10R2.7 C1=CC2=C(C=C1)NN=N2 16004 [1,0,0,1,0,0|2,0,0]=4 535 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|1,0,0]=3 536 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|2,0,0]=4 537 B10R2.7 C1=CC2=C(C=N1)CNC2 17767 [1,0,0,1,0,0|1,0,0]=3 538 B10R2.7 C1=CC2=C(C=N1)CNC2 19108 [1,0,0,1,0,0|1,0,0]=3 539 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|0,0,2]=4 540 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|0,0,0]=2 541 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|0,0,0]=2 542 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|0,0,0]=2 543 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|0,0,0]=2 544 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|0,0,0]=2 545 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [1,0,0,1,0,0|1,0,1]=4 546 B10R2.7 C1=CN=C2CCCC2=C1 15900 [1,0,0,1,0,0|1,0,0]=3 547 B10R2.7 C1=CN=C2CNCC2=C1 11371 [1,0,0,1,0,0|1,0,0]=3 548 B10R2.7 C1=CN=C2CNCC2=C1 18111 [1,0,0,1,0,0|1,0,0]=3 549 B10R2.7 C1=CN=C2CNCC2=N1 34561 [1,0,0,1,0,0|2,0,0]=4 550 B10R2.7 C1=CN=C2NCCC2=C1 18022 [1,0,0,1,0,0|1,0,0]=3 551 B10R2.7 C1=NC=C2NCCC2=C1 18023 [1,0,0,1,0,0|1,0,0]=3 552 B10R2.7 C1=NC=NC2=C1CNC2 15463 [1,0,0,1,0,0|2,0,0]=4 553 B10R2.7 C1=NC=NC2=C1CNC2 17462 [1,0,0,1,0,0|2,0,0]=4 554 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,0]=3 555 B12R2.24 BrC1=CC2=C(CCNC2)N=C1 14710 [0,1,0,1,0,0|1,0,0]=3 556 B12R2.24 BrC1=CC=C2CCC=CC2=C1 25683 [0,1,0,1,0,0|1,0,1]=4 557 B12R2.24 BrC1=CC=C2CCCNC2=C1 25212 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.24 BrC1=CC=C2CCCOC2=C1 34276 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.24 BrC1=CC=C2CCNCC2=C1 24727 [0,1,0,1,0,0|0,0,0]=2 560 B12R2.24 BrC1=CC=C2CNCCC2=C1 24726 [0,1,0,1,0,0|0,0,0]=2 561 B12R2.24 BrC1=CC=C2COCCC2=C1 27929 [0,1,0,1,0,0|1,0,0]=3 562 B12R2.24 BrC1=CC=C2NCCCC2=C1 24715 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.24 BrC1=CC=C2OCCCC2=C1 34593 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 34257 [0,1,0,1,0,0|1,0,0]=3 565 B12R2.24 CC1=NC2=C(C=C1)CCCC2 5920 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 24805 [0,1,0,1,0,0|1,0,0]=3 568 B12R2.24 ClC1=CC2=C(CCNC2)N=N1 14735 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.24 ClC1=CC2=C(CNCC2)N=N1 15991 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.24 ClC1=CC=C2CCCNC2=C1 34604 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.24 ClC1=CC=C2CCNCC2=C1 31894 [0,1,0,1,0,0|0,0,0]=2 572 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 14855 [0,1,0,1,0,0|1,0,0]=3 573 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 22778 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 25504 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 15432 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 23699 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.24 FC1=CC=C2CCNCC2=C1 31895 [0,1,0,1,0,0|0,0,0]=2 578 B12R2.24 FC1=CC=C2CNCCC2=C1 35560 [0,1,0,1,0,0|0,0,0]=2 579 B12R2.24 FC1=CC=C2NCCCC2=C1 27932 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.24 NC1=CC2=C(CCNC2)N=C1 22967 [0,1,0,1,0,0|1,0,0]=3 581 B12R2.24 NC1=CC=C2CCCNC2=C1 5887 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.24 NC1=CC=C2CCNCC2=C1 34159 [0,1,0,1,0,0|0,0,0]=2 583 B12R2.24 NC1=NC2=C(C=N1)CNCC2 32426 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.24 NN1CCC2=CC=CC=C2C1 27729 [0,1,0,1,0,0|0,0,0]=2 585 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,1,0,1,0,0|1,0,0]=3 588 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.24 OC1=CC2=C(C=C1)CCCC2 15404 [0,1,0,1,0,0|1,0,0]=3 590 B12R2.24 OC1=CC2=C(CCNC2)N=C1 17766 [0,1,0,1,0,0|1,0,0]=3 591 B12R2.24 OC1=CC=C2CCCNC2=C1 12787 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.24 OC1=CC=C2CNCCC2=C1 13941 [0,1,0,1,0,0|0,0,0]=2 593 B12R2.24 OC1=CC=C2CNCCC2=C1 8301 [0,1,0,1,0,0|0,0,0]=2 594 B12R2.24 OC1=CC=C2NCCCC2=C1 12785 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 8851 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.132 CN1N=CC2=CC=C(Br)C=C21 19529 [0,1,0,1,0,0|1,0,1]=4 598 B12R2.132 CN1N=CC2=CC=C(I)C=C21 34478 [0,1,0,1,0,0|1,0,1]=4 599 B12R2.132 CN1N=NC2=C1C=C(Br)C=C2 27934 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.132 NC1CCC2=CC=C(O)C=C21 23073 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 23068 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 13783 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 13778 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.132 O=C1CCC2=CC=C(F)C=C12 8856 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.132 O=C1CCC2=CC=C(I)C=C12 17865 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.132 O=C1CCC2=CC=C(O)C=C12 9660 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.2 C1=CC(N2CCCC2)=CC=N1 18533 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 29714 [0,1,0,1,0,0|1,0,1]=4 609 B12R2.2 C1=CC=C(C2CCNC2)C=C1 22374 [0,1,0,1,0,0|0,0,0]=2 610 B12R2.2 C1=CC=C(C2CCNC2)C=C1 30375 [0,1,0,1,0,0|0,0,0]=2 611 B12R2.2 C1=CC=C(N2CCCC2)C=C1 9192 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 15596 [0,1,0,1,0,0|1,0,0]=3 613 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23243 [0,1,0,1,0,0|1,0,0]=3 614 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 15595 [0,1,0,1,0,0|1,0,0]=3 615 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 23242 [0,1,0,1,0,0|1,0,0]=3 616 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 18577 [0,1,0,1,0,0|0,0,0]=2 617 B12R2.2 C1=CN=CC(C2CCCN2)=C1 16040 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.2 C1=CN=CC(C2CCNC2)=C1 16492 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 15004 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.27 OC[C@@H]1O[C@H]1C2=CC=CC=C2 11278 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 11277 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.1081 BrC1=C2CCCNC2=CC=C1 24714 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.1081 BrC1=C2CCNCC2=CC=C1 24723 [0,1,0,1,0,0|0,0,0]=2 624 B12R2.1081 BrC1=C2CNCCC2=CC=C1 24728 [0,1,0,1,0,0|0,0,0]=2 625 B12R2.1081 CC1NCCC2=CC=CC=C21 13018 [0,1,0,1,0,0|0,0,0]=2 626 B12R2.1081 ClC1=C2CCCNC2=CC=C1 27777 [0,1,0,1,0,0|2,0,0]=4 627 B12R2.1081 ClC1=C2NCCCC2=CC=C1 27930 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.1081 ClC1=NC=NC2=C1CCNC2 23183 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.1081 ClC1=NC=NC2=C1CNCC2 15420 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.1081 FC1=C2CCCNC2=CC=C1 33719 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.1081 FC1=C2CCCNC2=CC=C1 33720 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.1081 NC1CCCC2=C1N=CC=C2 27889 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.1081 NC1CCCC2=CC=CC=C21 14041 [0,1,0,1,0,0|1,0,0]=3 634 B12R2.1081 NC1CCOC2=CC=CC=C21 27739 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.1081 NC1COCC2=CC=CC=C21 14613 [0,1,0,1,0,0|1,0,0]=3 636 B12R2.1081 NC1CSCC2=CC=CC=C21 14610 [0,1,0,1,0,0|1,0,0]=3 637 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 13011 [0,1,0,1,0,0|1,0,0]=3 638 B12R2.1081 N[C@H]1CCCc2ccccc21 11534 [0,1,0,1,0,0|1,0,0]=3 639 B12R2.1081 O=C1CCCC2=CC=CC=C12 13786 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.1081 O=C1CCNC2=CC=CC=C12 21010 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.1081 O=C1CCOC2=CC=CC=C12 9708 [0,1,0,1,0,0|2,0,0]=4 642 B12R2.1081 O=C1NC=CC2=C1CCNC2 17880 [0,1,0,1,0,0|1,0,0]=3 643 B12R2.1081 O=C1NC=NC2=C1CNCC2 14741 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.1081 O=C1NC=NC2=C1CNCC2 17816 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.1081 O=C1OCCC2=CC=CC=C12 25692 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.1081 OC1=C2NCCCC2=CC=C1 12789 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.1081 OC1=CC=CC2=C1CC=CC2 35782 [0,1,0,1,0,0|1,0,1]=4 648 B12R2.1081 OC1=CC=CC2=C1CCCC2 22497 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.1081 OC1CCCC2=C1N=CC=C2 17102 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.1081 OC1CCNC2=CC=CC=C21 31803 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [0,1,0,1,0,0|1,0,1]=4 652 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 27908 [0,1,0,1,0,0|0,0,2]=4 653 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,1,0,1,0,0|1,0,1]=4 654 B12R2.32 N#CC1CC2=CC=CC=C2C1 23088 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 8834 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.196 CN1C=CC2=C(N)C=CC=C21 9377 [0,1,0,1,0,0|0,0,2]=4 657 B12R2.196 CN1C=NC2=C1C=CC=C2Br 28934 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 32558 [0,1,0,1,0,0|1,0,1]=4 659 B12R2.196 CN1N=CC2=C1C=CC=C2O 28070 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 13784 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 5340 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.196 O=C1CCC2=C(F)C=CC=C12 13785 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.196 O=C1CCC2=C(O)C=CC=C12 9659 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.225 OC1=C(OC2CC2)C=CC=C1 26352 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 19846 [0,1,0,1,0,0|2,0,0]=4 666 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 20892 [0,1,0,1,0,0|1,0,1]=4 667 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 13776 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 13780 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.203 O=C1CCC2=CC=CC(O)=C12 23254 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.612 CC1NCC2=CC(Br)=CC=C21 11459 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.612 CC1NCC2=CC(Br)=CC=C21 16791 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 7946 [0,1,0,1,0,0|0,0,2]=4 674 B12R2.612 CN1C=CC2=CC(Cl)=CC=C21 16045 [0,1,0,1,0,0|0,0,2]=4 675 B12R2.612 CN1C=CC2=CC(F)=CC=C21 16044 [0,1,0,1,0,0|0,0,2]=4 676 B12R2.612 CN1C=CC2=CC(N)=CC=C21 9381 [0,1,0,1,0,0|0,0,2]=4 677 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 28125 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.612 CN1N=CC2=CC(N)=CC=C21 20587 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 27933 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.612 C[C@H]1NCC2=CC(Br)=CC=C21 11460 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.612 Cn1ncc2cc(Br)ccc21 16382 [0,1,0,1,0,0|1,0,1]=4 682 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [0,1,0,1,0,0|2,0,0]=4 686 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.1 CCN1C=NC2=C1C=CC=C2 7658 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.1 CON1C=NC2=C1C=CC=C2 8055 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.1 ClCN1N=NC2=C1C=CC=C2 21116 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 14082 [0,1,0,1,0,0|1,0,0]=3 692 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 14080 [0,1,0,1,0,0|1,0,0]=3 693 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,1,0,1,0,0|0,0,2]=4 694 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.18 CC1CC2=CC=CC=C2N1N 23226 [0,1,0,1,0,0|1,0,0]=3 696 B12R2.18 CC1CC2=CC=CC=C2N1N 9485 [0,1,0,1,0,0|1,0,0]=3 697 B12R2.18 CN1C(S)=NC2=C1C=CC=C2 8070 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,1,0,1,0,0|1,0,1]=4 699 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 5733 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O 16026 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O 5732 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 18679 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.8 CCCC1=NC=CN1 15976 [1,0,0,0,1,0|2,0,0]=4 706 B8R1.8 CNCC1=CC=CS1 22897 [1,0,0,0,1,0|1,0,0]=3 707 B8R1.8 CNCC1=NNC=C1 14335 [1,0,0,0,1,0|2,0,0]=4 708 B8R1.8 NCCC1=CC=CS1 5579 [1,0,0,0,1,0|1,0,0]=3 709 B8R1.8 NCCC1=CC=CS1 8859 [1,0,0,0,1,0|1,0,0]=3 710 B8R1.8 NCCC1=CNC=N1 9893 [1,0,0,0,1,0|2,0,0]=4 711 B8R1.8 NCCC1=CSC=C1 14605 [1,0,0,0,1,0|1,0,0]=3 712 B8R1.8 NCCC1=CSC=C1 24381 [1,0,0,0,1,0|1,0,0]=3 713 B8R1.8 NCCC1=NC=CN1 24954 [1,0,0,0,1,0|2,0,0]=4 714 B8R1.8 NCCN1C=CN=C1 12985 [1,0,0,0,1,0|2,0,0]=4 715 B8R1.8 NCCN1C=CN=C1 8054 [1,0,0,0,1,0|2,0,0]=4 716 B8R1.8 OCCC1=CC=CS1 5581 [1,0,0,0,1,0|2,0,0]=4 717 B8R1.8 OCCC1=CSC=C1 20415 [1,0,0,0,1,0|2,0,0]=4