0 B11R1.17 FC1=C(CN=C=S)C=CC=C1 F7747 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.17 OCCSC1=C(Br)C=CC=C1 B10435 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.17 S=C=NCC1=C(Cl)C=CC=C1 C8343 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.4 CCNC1=NC=CC=C1N E16040 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.4 CCOC1=CC=CN=C1N E16039 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.4 ClC1=C(CCBr)C=CC=C1 B9886 [1,0,0,0,0,0|1,1,0]=3 6 B10R1.4 FC1=C(CCBr)C=CC=C1 B9149 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.4 N#CCC1=C(Br)C=CC=C1 B0604 [1,0,0,0,0,0|0,1,2]=4 8 B10R1.4 N#CCC1=CC=CC=C1Cl C5020 [1,0,0,0,0,0|0,1,2]=4 9 B10R1.4 N#CCC1=CC=CC=C1F F3993 [1,0,0,0,0,0|0,0,2]=3 10 B10R1.4 NCCC1=CC=CC=C1N A18075 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.4 NCCC1=CC=CC=C1N A18076 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.4 NCCC1=CC=CC=C1O A15642 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 CCCCC1=CC=CN=C1 B11443 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.17 CCCCC1=NC=CC=C1 B11448 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 CNCCC1=CC=CC=C1 M12421 [1,0,0,0,0,0|0,0,0]=1 20 B10R1.17 CNCCC1=CC=NC=C1 M12425 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.17 CNCCC1=NC=CC=C1 B5398 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.17 CNCCC1=NC=CC=C1 B6262 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 NCCOC1=CC=CC=C1 P3356 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.17 OCCOC1=CC=CC=C1 P2904 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.69 CCCOC1=C(S)C=C(Cl)C=C1 P3884 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.69 N#CCSC1=CC=C(F)C=C1F D8404 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.121 CNCCC1=C(CO)C=CC=C1 M7687 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.125 O=C(O)CCC1=CC=CC=C1Br B10264 [0,1,0,0,0,0|2,1,0]=4 31 B12R1.125 O=C(O)CCC1=CC=CC=C1F F2686 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 H7637 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.308 NC(CCO)C1=C(F)C=CC=C1 A15486 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.308 NC1=CC=CC=C1C(N)CCO A18165 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.308 NC1=CC=CC=C1[C@@H](N)CCO A18164 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.371 COC(=O)CC1=CC=CC=C1O H15810 [0,1,0,0,0,0|2,0,1]=4 37 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T11003 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.41 C1=CC=C2NCCCCC2=C1 T15203 [0,0,0,1,0,0|2,0,0]=3 41 B12R2.196 CN1C=CC2=C1C=CC=C2N A18078 [0,0,0,1,0,0|1,0,2]=4 42 B12R2.196 O=C1CCC2=C1C=CC=C2Br B9482 [0,0,0,1,0,0|2,1,0]=4 43 B12R2.1081 NC1=C2CCCCC2=CC=C1 T4743 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.8 BrCCC1=CC=CC=C1 B1499 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 BrCCC1=NC=CC=C1 B18468 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 CNCC1=CC=CC=C1 C12471 [2,0,0,0,0,0|0,0,0]=2 48 B9R1.8 CNCC1=CN=CC=C1 M13405 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [2,0,0,0,0,0|0,0,2]=4 50 B9R1.8 NCCC1=CC=CC=C1 P18797 [2,0,0,0,0,0|0,0,0]=2 51 B9R1.8 NCCC1=CC=CC=C1 P19425 [2,0,0,0,0,0|0,0,0]=2 52 B9R1.8 NCCC1=CC=CC=N1 P3233 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.8 NCCC1=CC=CN=C1 A18111 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.8 NCCC1=CC=NC=C1 A18195 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.8 NCCC1=CN=CC=C1 A12910 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.8 NNCC1=CC=CC=C1 B8798 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 NOCC1=CC=CC=C1 B7490 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.8 NOCC1=CC=CC=C1 B7490 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.8 OCCC1=NC=CC=C1 P0121 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 BrCC1=C(Br)C=CC=C1 B0602 [2,0,0,0,0,0|1,1,0]=4 61 B9R1.15 CC1=C(CN)C=CN=C1 A13473 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 CC1=CC=CN=C1CN A13472 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 CCC1=C(F)C=NC=N1 E4322 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 CCC1=CC=CC=C1Cl C0487 [2,0,0,0,0,0|0,1,0]=3 65 B9R1.15 CNC1=C(F)C=CC=C1 F2547 [2,0,0,0,0,0|0,0,0]=2 66 B9R1.15 CNC1=CC=CC=C1N M8800 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.15 COC1=CC=CC=C1S M0642 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 CSC1=C(Br)C=CC=C1 B9152 [2,0,0,0,0,0|1,1,0]=4 69 B9R1.15 CSC1=CC=CC=C1Cl C2117 [2,0,0,0,0,0|1,1,0]=4 70 B9R1.15 CSC1=CC=CC=C1F F3885 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.15 CSC1=CC=CC=C1I I3892 [2,0,0,0,0,0|1,1,0]=4 72 B9R1.15 CSC1=CC=CC=C1N M0578 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 CSC1=CC=CC=C1O H3897 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.15 ClCC1=C(Cl)C=CC=C1 C18855 [2,0,0,0,0,0|1,1,0]=4 75 B9R1.15 FC1=CC=CC=C1CBr F4170 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.15 N#CC1=CC=CC=C1F F0066 [2,0,0,0,0,0|0,0,2]=4 77 B9R1.15 NC1=CC=CC=C1CO A18123 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 NCC1=CC=CC=C1Br B9994 [2,0,0,0,0,0|0,1,0]=3 79 B9R1.15 NCC1=CC=CC=C1Cl C0974 [2,0,0,0,0,0|0,1,0]=3 80 B9R1.15 NCC1=CC=CC=C1F F2669 [2,0,0,0,0,0|0,0,0]=2 81 B9R1.15 NCC1=CC=CC=C1N A18056 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.15 NCC1=CC=CN=C1Cl A17808 [2,0,0,0,0,0|1,1,0]=4 83 B9R1.15 NCC1=NC=CC=C1F A11835 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.15 NNC1=CC=CC=C1Br B10047 [2,0,0,0,0,0|1,1,0]=4 85 B9R1.15 OCC1=CC=CC=C1Br B4306 [2,0,0,0,0,0|1,1,0]=4 86 B9R1.15 OCC1=CC=CC=C1Cl C0385 [2,0,0,0,0,0|1,1,0]=4 87 B9R1.15 OCC1=CC=CC=C1F F11142 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.15 SCC1=CC=CC=C1Br B3883 [2,0,0,0,0,0|1,1,0]=4 89 B11R1.13 CCOC1=CC=CC(F)=C1F D7458 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.41 CCOC1=CC=CC=C1C#N E4100 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.81 CCNC1=CC=C(Cl)C=C1N C7853 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.81 N#CCC1=CC=C(Cl)C=C1F C4185 [1,1,0,0,0,0|0,0,2]=4 93 B11R1.81 N#CCC1=CC=C(F)C=C1F D4192 [1,1,0,0,0,0|0,0,2]=4 94 B11R1.81 NCCC1=CC=C(Cl)C=C1Cl D8590 [1,1,0,0,0,0|0,1,0]=3 95 B11R1.81 [C-]#[N+]CC1=C(F)C=C(Br)C=C1 B9620 [1,1,0,0,0,0|0,0,2]=4 96 B11R1.86 CC1=CC=CC=C1CC(=N)N T13940 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.86 O=C(O)CC1=CC=CC=C1F F1336 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.182 CCOC1=CC(N)=CC=C1Br B6753 [1,1,0,0,0,0|1,1,0]=4 99 B11R1.182 N#CCC1=CC(F)=CC=C1F D4189 [1,1,0,0,0,0|0,0,2]=4 100 B11R1.182 NC1=CC(CCO)=C(N)C=C1 H4714 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.182 [C-]#[N+]CC1=C(F)C=CC(Br)=C1 B9622 [1,1,0,0,0,0|0,0,2]=4 102 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H0511 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.222 CCC(=O)C1=CC=CC=C1F F0510 [1,1,0,0,0,0|0,0,1]=3 104 B11R1.222 NCC(O)C1=CC=CC=C1Cl A14632 [1,1,0,0,0,0|0,1,0]=3 105 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 C18779 [1,1,0,0,0,0|1,1,0]=4 106 B11R1.605 N#CCC1=C(F)C=CC=C1Cl C0624 [1,1,0,0,0,0|0,0,2]=4 107 B11R1.605 N#CCC1=C(F)C=CC=C1F D4186 [1,1,0,0,0,0|0,0,2]=4 108 B11R1.1 CCCCC1=CC=C(N)C=C1 B1469 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.1 CCCCC1=CC=C(S)C=C1 B7731 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.1 CNCCC1=CC=C(O)C=C1 M14940 [1,1,0,0,0,0|0,0,0]=2 111 B11R1.1 COCCC1=CC=C(O)C=C1 M0084 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B9442 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.1 [C-]#[N+]CCC1=CC=C(Br)C=C1 B9445 [1,1,0,0,0,0|0,0,2]=4 114 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [1,1,0,0,0,0|0,0,0]=2 115 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.24 [C-]#[N+]CCC1=CC(Br)=CC=C1 B9444 [1,1,0,0,0,0|0,0,2]=4 118 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [1,1,0,0,0,0|1,0,0]=3 124 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [1,1,0,0,0,0|2,0,0]=4 125 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O F8325 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O F8324 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.158 CN(C)CCNC1=NC=CC=C1Br B17565 [0,2,0,0,0,0|1,1,0]=4 128 B13R1.674 CCCCC(=O)C1=CC=CC=C1O H8140 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.8919 NCCSCC1=C(F)C=CC=C1Cl C9893 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.4453 NC(CCO)C1=C(F)C=CC=C1F A14602 [0,2,0,0,0,0|2,0,0]=4 131 B11R2.10 CC1CC2=CC=CC=C2N1 M1671 [1,0,0,1,0,0|1,0,0]=3 132 B11R2.20 C1=CC=C2COCCC2=C1 D11474 [1,0,0,1,0,0|2,0,0]=4 133 B11R2.20 C1=CC=C2OCCNC2=C1 B12887 [1,0,0,1,0,0|2,0,0]=4 134 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [1,0,0,1,0,0|2,0,0]=4 135 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [1,0,0,1,0,0|2,0,0]=4 136 B11R2.106 BrC1=C2CCNC2=CC=C1 B11884 [1,0,0,1,0,0|0,1,0]=3 137 B11R2.106 BrC1=C2CCNC2=CC=C1 B11884 [1,0,0,1,0,0|0,1,0]=3 138 B11R2.106 BrC1=C2NCCC2=CC=C1 B11888 [1,0,0,1,0,0|1,1,0]=4 139 B11R2.106 BrC1=C2NCCC2=CC=C1 B11888 [1,0,0,1,0,0|1,1,0]=4 140 B11R2.106 BrC1=CC=CC2=C1CNC2 B19356 [1,0,0,1,0,0|0,1,0]=3 141 B11R2.106 CC1=C2CCNC2=CC=C1 M11911 [1,0,0,1,0,0|1,0,0]=3 142 B11R2.106 CC1=C2NCCC2=CC=C1 M11913 [1,0,0,1,0,0|2,0,0]=4 143 B11R2.106 ClC1=C2CNCC2=CC=C1 C19239 [1,0,0,1,0,0|0,1,0]=3 144 B11R2.106 ClC1=CC=CC2=C1CCN2 C11902 [1,0,0,1,0,0|0,1,0]=3 145 B11R2.106 ClC1=CC=CC2=C1CCN2 C11902 [1,0,0,1,0,0|0,1,0]=3 146 B11R2.106 ClC1=CC=CC2=C1NCC2 C11903 [1,0,0,1,0,0|1,1,0]=4 147 B11R2.106 FC1=C2C=CNC2=CC=C1 F11863 [1,0,0,1,0,0|0,0,2]=4 148 B11R2.106 FC1=C2CCNC2=CC=C1 F11904 [1,0,0,1,0,0|0,0,0]=2 149 B11R2.106 FC1=C2NCCC2=CC=C1 F11915 [1,0,0,1,0,0|1,0,0]=3 150 B11R2.106 FC1=CC=CC2=C1C=NN2 F12185 [1,0,0,1,0,0|1,0,1]=4 151 B11R2.106 FC1=CC=CC2=C1CNC2 F19352 [1,0,0,1,0,0|0,0,0]=2 152 B11R2.1 CN1N=CC2=CC=CC=C21 M15342 [1,0,0,1,0,0|1,0,1]=4 153 B11R2.1 ClC1CCC2=CC=CC=C21 C17006 [1,0,0,1,0,0|2,0,0]=4 154 B11R2.1 NC1CCC2=CC=CC=C21 I17072 [1,0,0,1,0,0|2,0,0]=4 155 B11R2.1 O=C1CCC2=CC=CC=C12 I4017 [1,0,0,1,0,0|2,0,0]=4 156 B11R2.1 OC1CCC2=CC=CC=C21 I17073 [1,0,0,1,0,0|2,0,0]=4 157 B13R2.5179 CC1=C2CCC(=O)CC2=CC=C1 M13268 [0,1,0,1,0,0|2,0,0]=4 158 B13R2.26 CNCC1=NC2=CC=CC=C2S1 B12437 [0,1,0,1,0,0|1,0,1]=4 159 B13R2.342 O=C1CCNC2=C(F)C=CC=C12 F12541 [0,1,0,1,0,0|2,0,0]=4 160 B13R2.342 O=C1NCCC2=C(O)C=CC=C12 H7316 [0,1,0,1,0,0|1,0,1]=4