0 B11R1.24 CC1=CC(OCCN)=CC=C1 AC-54595 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.24 CCCOC1=CC=CC(Br)=N1 AC-34148 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.24 CCCOC1=CN=CC(Br)=C1 AC-86905 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.24 CCCSC1=NC=CC(Cl)=C1 AC-96116 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.24 CCNCC1=CC(O)=CC=C1 AC-92385 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.24 CCNCC1=CC=CC(Br)=C1 AC-38744 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AC-86783 [0,0,0,0,0,0|2,1,0]=3 7 B11R1.24 CNCCC1=CC=CC(Cl)=C1 AC-38789 [0,0,0,0,0,0|0,1,0]=1 8 B11R1.24 NCCOC1=CC=CC(F)=C1 AC-38434 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.24 NCCSC1=CC=CC(Br)=C1 AC-83459 [0,0,0,0,0,0|3,1,0]=4 10 B11R1.24 O=CCCC1=CC=CC(Cl)=C1 AC-85446 [0,0,0,0,0,0|2,1,0]=3 11 B11R1.24 OCCCC1=CC(O)=CC=C1 AC-92950 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.10 CC1=CC(CC#N)=CC=C1 AC-61319 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.10 CC1=CC(CCN)=CC=C1 AC-66716 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.10 CC1=CC(CCN)=CC=C1 AC-96075 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.10 CC1=NC=CC(CCN)=C1 AC-76023 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.10 CCNC1=NC=CC(N)=C1 AC-79491 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.10 CCOC1=CC(F)=NC=C1 AC-28745 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.10 CCOC1=CC(N)=NC=C1 AC-24498 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.10 CCOC1=NC=CC(Cl)=C1 AC-91629 [1,0,0,0,0,0|2,1,0]=4 20 B10R1.10 CNCC1=CC(Br)=CN=C1 AC-45462 [1,0,0,0,0,0|1,1,0]=3 21 B10R1.10 CNCC1=CC=CC(Br)=C1 AC-38786 [1,0,0,0,0,0|0,1,0]=2 22 B10R1.10 CNCC1=NC(C)=CC=C1 AC-86725 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.10 COCC1=CC(Cl)=NC=C1 AC-88834 [1,0,0,0,0,0|2,1,0]=4 24 B10R1.10 COCC1=CN=CC(Br)=C1 AC-33183 [1,0,0,0,0,0|2,1,0]=4 25 B10R1.10 FC1=CC(CCBr)=CC=C1 AC-19695 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.10 N#CCC1=CC=CC(N)=C1 AC-80758 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.10 NC1=CC(CCO)=CC=C1 AC-76030 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.10 NCCC1=CC(N)=CC=C1 AC-32588 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.10 NCCC1=CC(N)=CC=C1 AC-91002 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.10 NCCC1=CC=CC(Br)=C1 AC-25391 [1,0,0,0,0,0|0,1,0]=2 31 B10R1.10 NCCC1=CC=CC(Br)=C1 AC-90655 [1,0,0,0,0,0|0,1,0]=2 32 B10R1.10 NCCC1=CC=CC(Cl)=C1 AC-26501 [1,0,0,0,0,0|0,1,0]=2 33 B10R1.10 NCCC1=CC=CC(F)=C1 AC-38428 [1,0,0,0,0,0|0,0,0]=1 34 B10R1.10 NCCC1=CC=CC(O)=C1 AC-14733 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.10 NCCC1=NC(Br)=CC=C1 AC-87232 [1,0,0,0,0,0|1,1,0]=3 36 B10R1.10 NNCC1=CC=CC(Cl)=C1 AC-90652 [1,0,0,0,0,0|1,1,0]=3 37 B10R1.10 NNCC1=CC=CC(F)=C1 AC-58275 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.10 NOCC1=CC=CC(Cl)=C1 AC-92923 [1,0,0,0,0,0|1,1,0]=3 39 B10R1.10 NOCC1=CC=CC(F)=C1 AC-38834 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.10 O=CCC1=CC=CC(O)=C1 AC-82788 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.10 OCCC1=CC(Cl)=NC=C1 AC-96102 [1,0,0,0,0,0|2,1,0]=4 42 B10R1.10 OCCC1=CC=CC(Br)=C1 AC-33732 [1,0,0,0,0,0|1,1,0]=3 43 B10R1.10 OCCC1=CC=CC(Cl)=C1 AC-38230 [1,0,0,0,0,0|1,1,0]=3 44 B10R1.10 OCCC1=CC=CC(F)=C1 AC-66130 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.17 BrCCOC1=CC=CC=C1 AC-23943 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 CCCCC1=CC=NC=C1 AC-79321 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.17 CCCCC1=NC=CN=C1 AC-82887 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.17 CCCCC1=NN=CC=C1 AC-79369 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 CCCCC1=NN=CC=C1 AC-91228 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 CCNCC1=CC=CC=C1 AC-23535 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.17 CCNCC1=NC=CC=C1 AC-41270 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.17 CNCCC1=CC=CN=C1 AC-86271 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.17 ClCSCC1=CC=CC=C1 AC-94728 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 N#CCNC1=CC=CC=C1 AC-64031 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 NCCCC1=CC=NC=C1 AC-58135 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 NCCCC1=NC=CC=C1 AC-81362 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 NCCNC1=CC=CC=C1 AC-23964 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 OCCCC1=CC=CC=C1 AC-90879 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.17 OCCCC1=CC=CN=C1 AC-63756 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 OCCCC1=NC=CC=C1 AC-72227 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.17 N#CCC(=O)C1=CC=CC(F)=C1 AC-29342 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 AC-32120 [0,1,0,0,0,0|2,1,0]=4 63 B12R1.17 NC(CCO)C1=CC=CC(F)=C1 AC-66792 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.17 N[C@H](CCO)C1=CC=CC(F)=C1 AC-83040 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.28 CCCCCC1=CC(F)=CC=C1 AC-84400 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.28 CCNCCC1=CC=CC(Cl)=C1 AC-92775 [0,1,0,0,0,0|0,1,0]=2 67 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 AC-30786 [0,1,0,0,0,0|1,1,1]=4 68 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 AC-90989 [0,1,0,0,0,0|1,1,1]=4 69 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 AC-94723 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 AC-42792 [0,1,0,0,0,0|1,1,0]=3 71 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 AC-20108 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AC-18563 [0,1,0,0,0,0|2,1,0]=4 73 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AC-26679 [0,1,0,0,0,0|2,1,0]=4 74 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AC-11964 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.374 C#CCOC1=CC(F)=CC=C1F AC-86546 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.374 CCNCC1=CC(F)=CC=C1O AC-92411 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.382 CCNCC1=CC(C#N)=CC=C1 AC-93212 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.385 CCCOC1=CC=C(Br)C(C)=C1 AC-96250 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.385 CCNCC1=CC=C(C)C(C)=C1 AC-38749 [0,1,0,0,0,0|3,0,0]=4 80 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 AC-70016 [0,0,0,1,0,0|2,1,0]=4 81 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 AC-32900 [0,0,0,1,0,0|2,1,0]=4 82 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 AC-70017 [0,0,0,1,0,0|2,1,0]=4 83 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 AC-80191 [0,0,0,1,0,0|2,1,0]=4 84 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 AC-71517 [0,0,0,1,0,0|0,1,0]=2 85 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 AC-80199 [0,0,0,1,0,0|2,1,0]=4 86 B12R2.24 CC1=CC2=C(C=C1)CCCN2 AC-44581 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 CC1=CC2=C(C=C1)CCCN2 AC-85538 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 CC1=CC2=C(C=C1)CCCN2 AC-93692 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 CC1=CC2=C(C=C1)CNCC2 AC-94027 [0,0,0,1,0,0|1,0,0]=2 90 B12R2.24 CC1=CC2=C(C=C1)NCCC2 AC-92542 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 CC1=CC2=C(CCCC2)N=C1 AC-87361 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 CC1=CC=C2CCCCC2=N1 AC-13511 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 AC-80454 [0,0,0,1,0,0|2,1,0]=4 94 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 AC-91261 [0,0,0,1,0,0|2,1,0]=4 95 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 AC-26911 [0,0,0,1,0,0|2,1,0]=4 96 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 AC-26912 [0,0,0,1,0,0|2,1,0]=4 97 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 AC-26908 [0,0,0,1,0,0|0,1,0]=2 98 B12R2.24 ClC1=CC2=C(C=N1)CNCC2 AC-85129 [0,0,0,1,0,0|1,1,0]=3 99 B12R2.24 ClC1=CC2=C(C=N1)CNCC2 AC-93919 [0,0,0,1,0,0|1,1,0]=3 100 B12R2.24 ClC1=CC2=C(CCCC2)N=C1 AC-82092 [0,0,0,1,0,0|2,1,0]=4 101 B12R2.24 ClC1=CC=C2CNCCC2=N1 AC-26919 [0,0,0,1,0,0|1,1,0]=3 102 B12R2.24 ClC1=CC=C2COCCC2=N1 AC-82129 [0,0,0,1,0,0|2,1,0]=4 103 B12R2.24 ClC1=NC=C2CNCCC2=N1 AC-26922 [0,0,0,1,0,0|2,1,0]=4 104 B12R2.24 ClC1=NC=C2CNCCC2=N1 AC-91906 [0,0,0,1,0,0|2,1,0]=4 105 B12R2.24 FC1=CC2=C(C=C1)CCCO2 AC-83232 [0,0,0,1,0,0|2,0,0]=3 106 B12R2.24 FC1=CC2=C(C=C1)CCNC2 AC-29733 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.24 FC1=CC2=C(C=C1)CCNC2 AC-42778 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.24 FC1=CC2=C(C=C1)NCCC2 AC-58982 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.24 FC1=CC=C2OCCNC2=C1 AC-89098 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.24 IC1=CC2=C(C=C1)OCCC2 AC-85022 [0,0,0,1,0,0|2,1,0]=4 111 B12R2.24 IC1=CC2=C(CCCC2)N=C1 AC-90062 [0,0,0,1,0,0|2,1,0]=4 112 B12R2.24 NC1=CC2=C(C=C1)CCNC2 AC-83898 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.24 NC1=CC2=C(C=C1)CNCC2 AC-42880 [0,0,0,1,0,0|1,0,0]=2 114 B12R2.24 NC1=CC2=C(C=C1)CNCC2 AC-81303 [0,0,0,1,0,0|1,0,0]=2 115 B12R2.24 NC1=CC2=C(C=N1)CCCC2 AC-85733 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.24 O=C1C=CC2=C(CCNC2)N1 AC-92902 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.24 OC1=CC2=C(C=C1)CCNC2 AC-88496 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.24 OC1=CC2=C(C=C1)CNCC2 AC-42877 [0,0,0,1,0,0|1,0,0]=2 119 B12R2.24 OC1=CC2=C(C=C1)NCCC2 AC-63021 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.24 OC1=CC=C2CCCCC2=C1 AC-14831 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.203 CC1=CC=CC2=C1N(C)N=C2 AC-79279 [0,0,0,1,0,0|2,0,1]=4 122 B12R2.203 CN1C=NC2=CC=CC(N)=C21 AC-79690 [0,0,0,1,0,0|2,0,1]=4 123 B12R2.203 CN1N=CC2=C1C(Br)=CC=C2 AC-33255 [0,0,0,1,0,0|1,1,1]=4 124 B12R2.203 CN1N=CC2=C1C(Cl)=CC=C2 AC-95603 [0,0,0,1,0,0|1,1,1]=4 125 B12R2.203 CN1N=CC2=C1C(N)=CC=C2 AC-75959 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.203 CN1N=CC2=C1C(O)=CC=C2 AC-75960 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.203 NC1=CC=CC2=C1C(=O)CC2 AC-85465 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AC-25050 [0,0,0,1,0,0|2,1,0]=4 129 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 AC-25909 [0,0,0,1,0,0|2,1,0]=4 130 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 AC-45389 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 AC-61378 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.203 O=C1NCC2=C1C(F)=CC=C2 AC-93959 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 AC-89088 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.612 CC1=CC2=C(C=C1)C(N)CC2 AC-93292 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.612 CC1=CC2=C(C=C1)N(C)N=C2 AC-90762 [0,0,0,1,0,0|2,0,1]=4 136 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 AC-34036 [0,0,0,1,0,0|2,1,0]=4 137 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 AC-89387 [0,0,0,1,0,0|1,0,2]=4 138 B12R2.612 CN1C=NC2=CC(Br)=CC=C21 AC-43064 [0,0,0,1,0,0|1,1,1]=4 139 B12R2.612 CN1C=NC2=CC(N)=CC=C21 AC-50888 [0,0,0,1,0,0|2,0,1]=4 140 B12R2.612 CN1C=NC2=CC(O)=CC=C21 AC-84274 [0,0,0,1,0,0|2,0,1]=4 141 B12R2.612 CN1CCC2=C1C=CC(N)=C2 AC-83284 [0,0,0,1,0,0|1,0,0]=2 142 B12R2.612 CN1CCC2=CC(Br)=CN=C21 AC-92550 [0,0,0,1,0,0|1,1,0]=3 143 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 AC-25118 [0,0,0,1,0,0|1,1,1]=4 144 B12R2.612 CN1N=CC2=C1C=CC(I)=C2 AC-79929 [0,0,0,1,0,0|1,1,1]=4 145 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 AC-39410 [0,0,0,1,0,0|2,0,1]=4 146 B12R2.612 CN1N=CC2=C1C=CC(O)=C2 AC-75957 [0,0,0,1,0,0|2,0,1]=4 147 B12R2.612 CN1N=NC2=CC(Br)=CC=C21 AC-85095 [0,0,0,1,0,0|2,1,0]=4 148 B12R2.612 ClC1CCC2=C1C=CC(Br)=C2 AC-80381 [0,0,0,1,0,0|2,1,0]=4 149 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 AC-15972 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 AC-44496 [0,0,0,1,0,0|2,1,0]=4 151 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 AC-89068 [0,0,0,1,0,0|2,1,0]=4 152 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 AC-10645 [0,0,0,1,0,0|2,1,0]=4 153 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AC-11803 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AC-39380 [0,0,0,1,0,0|2,1,0]=4 155 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 AC-80169 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 AC-39245 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.612 OC1CCC2=C1C=CC(F)=C2 AC-81770 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.1081 BrC1=CC=CC2=C1CCCN2 AC-80585 [0,0,0,1,0,0|2,1,0]=4 159 B12R2.1081 BrC1=CC=CC2=C1CNCC2 AC-80992 [0,0,0,1,0,0|0,1,0]=2 160 B12R2.1081 BrC1=CC=CC2=C1COCC2 AC-83365 [0,0,0,1,0,0|1,1,0]=3 161 B12R2.1081 BrC1=CC=CC2=C1OCCC2 AC-87393 [0,0,0,1,0,0|2,1,0]=4 162 B12R2.1081 CC1=CC=CC2=C1CCNC2 AC-85575 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.1081 CC1=CC=CC2=C1CNCC2 AC-82150 [0,0,0,1,0,0|1,0,0]=2 164 B12R2.1081 CC1=CC=CC2=C1NCCC2 AC-31835 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.1081 CC1=NC=NC2=C1CNCC2 AC-83975 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.1081 ClC1=C2CCCCC2=NC=C1 AC-80401 [0,0,0,1,0,0|2,1,0]=4 167 B12R2.1081 ClC1=CC=CC2=C1CCNC2 AC-26909 [0,0,0,1,0,0|2,1,0]=4 168 B12R2.1081 ClC1=CC=CC2=C1CNCC2 AC-26910 [0,0,0,1,0,0|0,1,0]=2 169 B12R2.1081 ClC1=CC=CC2=C1OCCC2 AC-89561 [0,0,0,1,0,0|2,1,0]=4 170 B12R2.1081 FC1=C2NCCOC2=CC=C1 AC-84317 [0,0,0,1,0,0|3,0,0]=4 171 B12R2.1081 FC1=C2OCCNC2=CC=C1 AC-85496 [0,0,0,1,0,0|3,0,0]=4 172 B12R2.1081 FC1=CC=CC2=C1CCNC2 AC-29731 [0,0,0,1,0,0|2,0,0]=3 173 B12R2.1081 FC1=CC=CC2=C1CNCC2 AC-90742 [0,0,0,1,0,0|0,0,0]=1 174 B12R2.1081 IC1=CC=CC2=C1CCCC2 AC-87508 [0,0,0,1,0,0|1,1,0]=3 175 B12R2.1081 NC1=C2CCCCC2=CC=N1 AC-93673 [0,0,0,1,0,0|3,0,0]=4 176 B12R2.1081 NC1=CC=CC2=C1CCCN2 AC-93293 [0,0,0,1,0,0|3,0,0]=4 177 B12R2.1081 O=C1C=CNC2=C1CCCC2 AC-85140 [0,0,0,1,0,0|3,0,0]=4 178 B12R2.1081 O=C1NC=NC2=C1CNCC2 AC-93943 [0,0,0,1,0,0|3,0,0]=4 179 B12R2.1081 OC1=C2CCCCC2=NC=C1 AC-88146 [0,0,0,1,0,0|3,0,0]=4 180 B12R2.1081 OC1=CC=CC2=C1CCNC2 AC-83081 [0,0,0,1,0,0|3,0,0]=4 181 B9R1.2 BrCC1=CC=CC(Br)=C1 AC-15436 [2,0,0,0,0,0|1,1,0]=4 182 B9R1.2 C#CC1=CC=CC(F)=C1 AC-77014 [2,0,0,0,0,0|0,0,2]=4 183 B9R1.2 CC1=CC(CCl)=CC=C1 AC-83195 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.2 CC1=CC(CN)=NC=C1 AC-44569 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.2 CC1=CC(CN)=NC=C1 AC-75499 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.2 CC1=CC(CN)=NC=C1 AC-93088 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.2 CC1=CC=CC(CN)=N1 AC-84527 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.2 CC1=NC=CC(CN)=C1 AC-41502 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.2 CC1=NC=CC(CN)=C1 AC-44573 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.2 CCC1=CC(Br)=CC=C1 AC-18413 [2,0,0,0,0,0|0,1,0]=3 191 B9R1.2 CCC1=CC(N)=NC=C1 AC-22647 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.2 CCC1=CC=CC(Br)=N1 AC-80192 [2,0,0,0,0,0|1,1,0]=4 193 B9R1.2 CCC1=CC=CC(N)=N1 AC-22648 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.2 CCC1=NC=CC(I)=C1 AC-93531 [2,0,0,0,0,0|1,1,0]=4 195 B9R1.2 CNC1=CC(Br)=NC=C1 AC-83415 [2,0,0,0,0,0|1,1,0]=4 196 B9R1.2 CNC1=CC=CC(F)=C1 AC-93564 [2,0,0,0,0,0|0,0,0]=2 197 B9R1.2 CNC1=NC(Br)=CC=C1 AC-91860 [2,0,0,0,0,0|1,1,0]=4 198 B9R1.2 CNC1=NC(Cl)=CC=C1 AC-75187 [2,0,0,0,0,0|1,1,0]=4 199 B9R1.2 CNC1=NC(N)=CC=C1 AC-89935 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.2 COC1=CC(Br)=CC=C1 AC-14872 [2,0,0,0,0,0|1,1,0]=4 201 B9R1.2 COC1=CC(F)=NC=C1 AC-29481 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.2 COC1=CC=CC(Cl)=C1 AC-25613 [2,0,0,0,0,0|1,1,0]=4 203 B9R1.2 COC1=CC=CC(F)=C1 AC-14560 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.2 CSC1=CC=CC(Br)=C1 AC-14274 [2,0,0,0,0,0|1,1,0]=4 205 B9R1.2 ClC1=CC(CBr)=CC=C1 AC-19311 [2,0,0,0,0,0|1,1,0]=4 206 B9R1.2 ClCC1=CC=CC(Cl)=C1 AC-37702 [2,0,0,0,0,0|1,1,0]=4 207 B9R1.2 ClCC1=CC=CC(I)=C1 AC-81895 [2,0,0,0,0,0|1,1,0]=4 208 B9R1.2 FC1=CC(CCl)=NC=C1 AC-88555 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.2 FC1=CN=CC(CCl)=C1 AC-79324 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.2 NC1=CC(CO)=CC=C1 AC-22505 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.2 NCC1=CC(=O)NC=C1 AC-69572 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.2 NCC1=CC(Br)=CN=C1 AC-41067 [2,0,0,0,0,0|1,1,0]=4 213 B9R1.2 NCC1=CC(Br)=CN=C1 AC-92356 [2,0,0,0,0,0|1,1,0]=4 214 B9R1.2 NCC1=CC(Br)=NC=C1 AC-25491 [2,0,0,0,0,0|1,1,0]=4 215 B9R1.2 NCC1=CC(Br)=NC=C1 AC-84441 [2,0,0,0,0,0|1,1,0]=4 216 B9R1.2 NCC1=CC(Cl)=CN=C1 AC-93598 [2,0,0,0,0,0|1,1,0]=4 217 B9R1.2 NCC1=CC(Cl)=NC=C1 AC-43333 [2,0,0,0,0,0|1,1,0]=4 218 B9R1.2 NCC1=CC(Cl)=NC=C1 AC-72790 [2,0,0,0,0,0|1,1,0]=4 219 B9R1.2 NCC1=CC(F)=CN=C1 AC-41008 [2,0,0,0,0,0|1,0,0]=3 220 B9R1.2 NCC1=CC(F)=NC=C1 AC-75434 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.2 NCC1=CC(F)=NC=C1 AC-75435 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.2 NCC1=CC(F)=NC=C1 AC-75436 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.2 NCC1=CC(N)=NC=C1 AC-94500 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.2 NCC1=CC(O)=CC=C1 AC-38059 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.2 NCC1=CC=CC(Br)=C1 AC-18388 [2,0,0,0,0,0|0,1,0]=3 226 B9R1.2 NCC1=CC=CC(Br)=C1 AC-26582 [2,0,0,0,0,0|0,1,0]=3 227 B9R1.2 NCC1=CC=CC(Cl)=C1 AC-16989 [2,0,0,0,0,0|0,1,0]=3 228 B9R1.2 NCC1=CC=CC(N)=N1 AC-85506 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.2 NCC1=CC=C[N+]([O-])=C1 AC-84681 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.2 NCC1=NC(Br)=CC=C1 AC-25492 [2,0,0,0,0,0|1,1,0]=4 231 B9R1.2 NCC1=NC(Br)=CC=C1 AC-25493 [2,0,0,0,0,0|1,1,0]=4 232 B9R1.2 NCC1=NC(F)=CC=C1 AC-41007 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.2 NCC1=NC(F)=CC=C1 AC-75540 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.2 NCC1=NC=CC(Br)=C1 AC-68810 [2,0,0,0,0,0|1,1,0]=4 235 B9R1.2 NCC1=NC=CC(Br)=C1 AC-69625 [2,0,0,0,0,0|1,1,0]=4 236 B9R1.2 NCC1=NC=CC(Br)=C1 AC-80473 [2,0,0,0,0,0|1,1,0]=4 237 B9R1.2 NCC1=NC=CC(F)=C1 AC-75492 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.2 NCC1=NC=CC(F)=C1 AC-75493 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.2 NNC1=CC(F)=NC=C1 AC-91975 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.2 NNC1=CC=CC(Br)=C1 AC-25420 [2,0,0,0,0,0|1,1,0]=4 241 B9R1.2 OC1=CC=CC(CBr)=C1 AC-76497 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.2 OCC1=CC(F)=CN=C1 AC-69956 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.2 OCC1=CC(F)=NC=C1 AC-75437 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.2 OCC1=CC=CC(Cl)=C1 AC-14278 [2,0,0,0,0,0|1,1,0]=4 245 B9R1.2 OCC1=CC=CC(O)=C1 AC-14288 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.2 OCC1=NC=CC(F)=C1 AC-75494 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.8 BrCCC1=CC=CC=C1 AC-10988 [2,0,0,0,0,0|1,0,0]=3 248 B9R1.8 BrCCC1=NC=CC=C1 AC-24894 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.8 BrCCC1=NC=CC=C1 AC-33015 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.8 CCCC1=CC=NC=C1 AC-12668 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.8 CCNC1=NC=CC=C1 AC-28871 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.8 CCOC1=NC=CC=C1 AC-11163 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.8 CNCC1=CC=CN=C1 AC-31451 [2,0,0,0,0,0|1,0,0]=3 254 B9R1.8 CNCC1=CC=NC=C1 AC-41285 [2,0,0,0,0,0|1,0,0]=3 255 B9R1.8 CNCC1=CC=NC=C1 AC-92743 [2,0,0,0,0,0|1,0,0]=3 256 B9R1.8 CNCC1=NC=CC=C1 AC-41284 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.8 CNCC1=NC=CN=C1 AC-90842 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.8 CNNC1=CC=CC=C1 AC-86441 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.8 COCC1=NC=CC=C1 AC-30327 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.8 NCCC1=CC=CN=C1 AC-10206 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.8 NCCC1=CC=CN=C1 AC-95294 [2,0,0,0,0,0|1,0,0]=3 262 B9R1.8 NCCC1=NC=CC=C1 AC-22649 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.8 NCCC1=NC=CC=N1 AC-94495 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.8 NNCC1=CC=CC=C1 AC-75839 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.8 NNCC1=CC=CN=C1 AC-75992 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.8 NNCC1=CC=NC=C1 AC-69402 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.8 NNCC1=CC=NC=C1 AC-75993 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.8 NNCC1=NC=CC=C1 AC-75991 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.8 NOCC1=CC=CC=C1 AC-13722 [2,0,0,0,0,0|1,0,0]=3 270 B9R1.8 OCCC1=CC=CN=C1 AC-17846 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.8 OCCC1=NC=CC=C1 AC-57914 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.8 ONCC1=CC=CC=C1 AC-45409 [2,0,0,0,0,0|1,0,0]=3 273 B11R1.13 CC1=C(F)C=CC=C1CC#N AC-95875 [1,1,0,0,0,0|0,0,2]=4 274 B11R1.13 CCOC1=C(N)C(N)=CC=C1 AC-95700 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.13 CCOC1=CC=CC(F)=C1F AC-18186 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.13 CNCC1=CC=CC(F)=C1F AC-71475 [1,1,0,0,0,0|0,0,0]=2 277 B11R1.13 N#CCC1=CC=CC(F)=C1I AC-76035 [1,1,0,0,0,0|0,0,2]=4 278 B11R1.23 CC1=CC(C(N)CO)=CC=C1 AC-88653 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.23 CCC(=O)C1=CC=CC(Br)=C1 AC-33403 [1,1,0,0,0,0|0,1,1]=4 280 B11R1.23 CCC(N)C1=CC=CC(F)=C1 AC-83298 [1,1,0,0,0,0|0,0,0]=2 281 B11R1.23 CCC(O)C1=CC=CC(F)=C1 AC-83109 [1,1,0,0,0,0|0,0,0]=2 282 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 AC-53906 [1,1,0,0,0,0|0,1,1]=4 283 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 AC-24616 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.23 CNC(C)C1=CC=CC(Cl)=C1 AC-95593 [1,1,0,0,0,0|0,1,0]=3 285 B11R1.23 NC(CO)C1=CC=CC(Br)=C1 AC-92052 [1,1,0,0,0,0|1,1,0]=4 286 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 AC-84004 [1,1,0,0,0,0|1,1,0]=4 287 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 AC-83923 [1,1,0,0,0,0|0,1,1]=4 288 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 AC-95155 [1,1,0,0,0,0|0,1,1]=4 289 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 AC-19441 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AC-85747 [1,1,0,0,0,0|1,1,0]=4 291 B11R1.23 O=C(CBr)C1=CC=CC(F)=C1 AC-33849 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.34 CCNC1=CC(Cl)=CC(Cl)=C1 AC-59787 [1,1,0,0,0,0|1,1,0]=4 293 B11R1.34 CCOC1=CC(Br)=CC(Br)=C1 AC-95150 [1,1,0,0,0,0|1,1,0]=4 294 B11R1.34 CCOC1=CC(Br)=CC(F)=C1 AC-72235 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.34 CCOC1=CC(F)=NC(F)=C1 AC-90276 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 AC-75687 [1,1,0,0,0,0|0,1,1]=4 297 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 AC-82941 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 AC-35116 [1,1,0,0,0,0|0,1,1]=4 299 B11R1.157 CC(=O)CC1=CC=CC(I)=C1 AC-87681 [1,1,0,0,0,0|0,1,1]=4 300 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 AC-19427 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 AC-32815 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.157 CC(C)CC1=CC(N)=CC=C1 AC-79953 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.157 CC(C)CC1=CC=CC(Br)=N1 AC-93506 [1,1,0,0,0,0|1,1,0]=4 304 B11R1.157 CC(C)CC1=CC=CC(O)=N1 AC-86281 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.157 CC(C)CC1=NC=CC(F)=C1 AC-94713 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.157 CC(C)OC1=CC(Br)=CC=C1 AC-33724 [1,1,0,0,0,0|1,1,0]=4 307 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AC-56758 [1,1,0,0,0,0|0,1,0]=3 308 B11R1.157 FC1=CC=CC(OC(F)F)=C1 AC-75757 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.157 NC(=O)CC1=CC=CC(Br)=C1 AC-76033 [1,1,0,0,0,0|0,1,1]=4 310 B11R1.157 NC(=S)NC1=CC=CC(F)=C1 AC-94734 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.182 CCNC1=CC(O)=CC=C1C AC-14283 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.182 CCOC1=CC(Br)=CC=C1F AC-86835 [1,1,0,0,0,0|1,1,0]=4 313 B11R1.182 CCOC1=CC(Cl)=CC=C1F AC-83630 [1,1,0,0,0,0|1,1,0]=4 314 B11R1.182 CCOC1=CC(N)=CC=C1Cl AC-89208 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.182 CNCC1=CC(Br)=CC=C1F AC-88016 [1,1,0,0,0,0|0,1,0]=3 316 B11R1.182 N#CCC1=CC(F)=CC=C1Br AC-93801 [1,1,0,0,0,0|0,0,2]=4 317 B11R1.182 NC1=CC=C(N)C(CCO)=C1 AC-65569 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.182 NCCC1=CC(O)=CC=C1O AC-90120 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.182 NNCC1=CC(Cl)=CC=C1F AC-88246 [1,1,0,0,0,0|1,1,0]=4 320 B11R1.189 CCOC1=CC(C=O)=CC=C1 AC-23497 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.189 CNCC1=CC(C#N)=CC=C1 AC-30623 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.189 CNCC1=CC=CC(OC)=C1 AC-56041 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.189 COC1=CC(CCN)=CC=C1 AC-38532 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.189 COC1=CC(CNN)=CC=C1 AC-88440 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.189 COC1=NC=CC(CCN)=C1 AC-30504 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.189 COC1=NC=CC(CCN)=C1 AC-91042 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.189 COCC1=CC(CN)=CC=C1 AC-80906 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.189 NCC1=CC(CCO)=CC=C1 AC-79935 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.192 CCOC1=CC=C(F)C(F)=C1 AC-85275 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.192 CCOC1=CC=C(N)C(C)=C1 AC-90552 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.192 CCOC1=CC=C(N)C(F)=C1 AC-58533 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.192 CCOC1=CC=C(N)C(F)=C1 AC-93391 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.192 COCC1=CC=C(F)C(Br)=C1 AC-81931 [1,1,0,0,0,0|1,1,0]=4 334 B11R1.192 N#CCC1=CC=C(F)C(F)=C1 AC-12270 [1,1,0,0,0,0|0,0,2]=4 335 B11R1.192 NCCC1=CC=C(Cl)C(Cl)=C1 AC-77071 [1,1,0,0,0,0|0,1,0]=3 336 B11R1.192 NCCC1=CC=C(O)C(Cl)=C1 AC-86294 [1,1,0,0,0,0|0,1,0]=3 337 B11R1.192 NCCC1=CC=C(O)C(F)=C1 AC-96301 [1,1,0,0,0,0|0,0,0]=2 338 B11R1.192 NCCC1=CC=C(O)C(O)=C1 AC-38337 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.192 OCCC1=CC=C(Cl)C(Cl)=C1 AC-27791 [1,1,0,0,0,0|1,1,0]=4 340 B11R1.192 OCCC1=CC=C(O)C(O)=C1 AC-28202 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.1 CCCCC1=CC=C(Br)C=C1 AC-33706 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.1 CCCCC1=CC=C(I)C=C1 AC-77139 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.1 CCCOC1=CC=C(Br)C=C1 AC-85336 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.1 CCCOC1=CC=C(O)C=C1 AC-10967 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.1 CCNCC1=CC=C(Br)C=C1 AC-38745 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.1 CCNCC1=CC=C(Cl)C=C1 AC-38746 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.1 CCNCC1=CC=C(Cl)C=C1 AC-88177 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.1 CNCCC1=CC=C(Br)C=C1 AC-95450 [1,1,0,0,0,0|0,0,0]=2 349 B11R1.1 CNCCC1=CC=C(C)C=C1 AC-92276 [1,1,0,0,0,0|0,0,0]=2 350 B11R1.1 CNCCC1=CC=C(Cl)C=C1 AC-38790 [1,1,0,0,0,0|0,0,0]=2 351 B11R1.1 CNCCC1=CC=C(F)C=C1 AC-93825 [1,1,0,0,0,0|0,0,0]=2 352 B11R1.1 CNCCC1=CC=C(O)C=C1 AC-86530 [1,1,0,0,0,0|0,0,0]=2 353 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 AC-34962 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.1 N#CCCC1=CC=C(Br)C=C1 AC-18561 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AC-59478 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.16 CCCC(N)C1=NC=CC=C1 AC-34690 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.16 N#CCC(O)C1=CC=CC=C1 AC-59838 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.16 NC(CCO)C1=CC=CC=C1 AC-32476 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.16 NCCC(O)C1=CC=CC=C1 AC-79691 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC-66687 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 AC-14427 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.17 CCCCC1=CC=CC=C1Br AC-96717 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.17 CCCCC1=CC=CC=C1N AC-88454 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.17 CCCOC1=CC=CC=C1O AC-89578 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.17 CCNCC1=CC=CC=C1O AC-86121 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.17 CNCCC1=CC=CC=C1O AC-90214 [1,1,0,0,0,0|0,0,0]=2 367 B11R1.17 N#CCCC1=CC=CC=C1Cl AC-93353 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.17 OCCCC1=CC=CC=C1Br AC-25432 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.17 OCCCC1=CC=CC=C1O AC-85673 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.28 BrCCCOC1=CC=CC=C1 AC-34539 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.28 BrCCOCC1=CC=CC=C1 AC-73705 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.28 CNC\C=C\C1=CC=CC=C1 AC-83868 [1,1,0,0,0,0|0,0,1]=3 373 B11R1.28 NCCNCC1=CC=CC=C1 AC-22878 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.28 NCCOCC1=CC=CC=C1 AC-76963 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.28 O=CCOCC1=CC=CC=C1 AC-81292 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.28 OCCCCC1=CC=NC=C1 AC-41310 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.40 COC(=N)CC1=CC=CC=C1 AC-95822 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.40 NC(CO)CC1=CC=CC=C1 AC-76906 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC-11522 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 AC-80706 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.91 OB(O)CCC1=CC=CC=C1 AC-20976 [1,1,0,0,0,0|2,0,0]=4 382 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 AC-88652 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.16 CCCCOC1=CC=CC(F)=C1F AC-33681 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 AC-95050 [0,2,0,0,0,0|1,0,1]=4 385 B13R1.55 CCCCOC1=CC(F)=CC(F)=C1 AC-92761 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 AC-38440 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 AC-76484 [0,2,0,0,0,0|2,0,0]=4 388 B11R2.35 BrC1=CC(C2CC2)=NC=C1 AC-94405 [1,0,0,1,0,0|1,1,0]=4 389 B11R2.35 BrC1=CC=CC(C2CC2)=C1 AC-33172 [1,0,0,1,0,0|0,1,0]=3 390 B11R2.35 ClC1=CC=CC(C2CC2)=C1 AC-90125 [1,0,0,1,0,0|0,1,0]=3 391 B11R2.35 OC1=CC=CC(C2CC2)=C1 AC-76711 [1,0,0,1,0,0|1,0,0]=3 392 B11R2.36 BrC1=CC2=C(C=C1)CCN2 AC-25083 [1,0,0,1,0,0|1,1,0]=4 393 B11R2.36 BrC1=CC2=C(C=C1)CNC2 AC-33474 [1,0,0,1,0,0|0,1,0]=3 394 B11R2.36 BrC1=CC2=C(C=C1)NCC2 AC-13497 [1,0,0,1,0,0|0,1,0]=3 395 B11R2.36 BrC1=CN=C2CCCC2=C1 AC-81037 [1,0,0,1,0,0|1,1,0]=4 396 B11R2.36 BrC1=CN=C2CNCC2=C1 AC-69857 [1,0,0,1,0,0|1,1,0]=4 397 B11R2.36 BrC1=CN=C2NCCC2=C1 AC-24875 [1,0,0,1,0,0|1,1,0]=4 398 B11R2.36 CC1=CC2=C(C=C1)CCN2 AC-84969 [1,0,0,1,0,0|2,0,0]=4 399 B11R2.36 CC1=CN=C2NCCC2=C1 AC-93002 [1,0,0,1,0,0|2,0,0]=4 400 B11R2.36 ClC1=CC2=C(C=C1)CCC2 AC-89771 [1,0,0,1,0,0|0,1,0]=3 401 B11R2.36 ClC1=CC2=C(C=C1)CCN2 AC-25716 [1,0,0,1,0,0|1,1,0]=4 402 B11R2.36 ClC1=CC2=C(C=C1)CCN2 AC-71445 [1,0,0,1,0,0|1,1,0]=4 403 B11R2.36 ClC1=CC2=C(C=C1)CNC2 AC-25985 [1,0,0,1,0,0|0,1,0]=3 404 B11R2.36 ClC1=CC2=C(C=C1)CNC2 AC-35223 [1,0,0,1,0,0|0,1,0]=3 405 B11R2.36 ClC1=CC2=C(C=C1)CNC2 AC-84539 [1,0,0,1,0,0|0,1,0]=3 406 B11R2.36 ClC1=CC=C2CCCC2=N1 AC-87876 [1,0,0,1,0,0|1,1,0]=4 407 B11R2.36 ClC1=CC=C2CNCC2=N1 AC-92211 [1,0,0,1,0,0|1,1,0]=4 408 B11R2.36 ClC1=CN=C2NCCC2=C1 AC-83593 [1,0,0,1,0,0|1,1,0]=4 409 B11R2.36 FC1=CC2=C(C=C1)CCN2 AC-29427 [1,0,0,1,0,0|1,0,0]=3 410 B11R2.36 FC1=CC2=C(C=C1)CNC2 AC-29380 [1,0,0,1,0,0|0,0,0]=2 411 B11R2.36 FC1=CC2=C(C=C1)CNC2 AC-81158 [1,0,0,1,0,0|0,0,0]=2 412 B11R2.36 FC1=CC2=C(C=C1)NCC2 AC-29428 [1,0,0,1,0,0|0,0,0]=2 413 B11R2.36 FC1=CC2=C(C=C1)NCC2 AC-84916 [1,0,0,1,0,0|0,0,0]=2 414 B11R2.36 FC1=CC2=C(C=C1)NN=C2 AC-23569 [1,0,0,1,0,0|1,0,1]=4 415 B11R2.36 FC1=CC=C2CCOC2=C1 AC-92366 [1,0,0,1,0,0|1,0,0]=3 416 B11R2.36 FC1=CC=C2NN=NC2=C1 AC-87924 [1,0,0,1,0,0|2,0,0]=4 417 B11R2.36 IC1=CC2=C(C=C1)CCC2 AC-82693 [1,0,0,1,0,0|0,1,0]=3 418 B11R2.36 IC1=CN=C2CCCC2=C1 AC-86966 [1,0,0,1,0,0|1,1,0]=4 419 B11R2.36 NC1=CC2=C(C=C1)COC2 AC-28094 [1,0,0,1,0,0|2,0,0]=4 420 B11R2.36 NC1=CC2=C(C=C1)NCC2 AC-93816 [1,0,0,1,0,0|1,0,0]=3 421 B11R2.36 NC1=CC2=C(C=C1)NCC2 AC-94094 [1,0,0,1,0,0|1,0,0]=3 422 B11R2.36 NC1=CC2=C(C=C1)NCC2 AC-94437 [1,0,0,1,0,0|1,0,0]=3 423 B11R2.36 NC1=CN=C2CCCC2=C1 AC-81300 [1,0,0,1,0,0|2,0,0]=4 424 B11R2.36 OC1=CC2=C(C=C1)CCN2 AC-90238 [1,0,0,1,0,0|2,0,0]=4 425 B11R2.36 OC1=CC2=C(C=C1)CNC2 AC-84429 [1,0,0,1,0,0|1,0,0]=3 426 B11R2.36 OC1=CC=C2CCCC2=N1 AC-83605 [1,0,0,1,0,0|2,0,0]=4 427 B11R2.36 OC1=CC=C2CCOC2=C1 AC-81120 [1,0,0,1,0,0|2,0,0]=4 428 B11R2.36 OC1=CC=C2OCCC2=C1 AC-76169 [1,0,0,1,0,0|2,0,0]=4 429 B11R2.106 BrC1=C2CCOC2=CC=C1 AC-94766 [1,0,0,1,0,0|1,1,0]=4 430 B11R2.106 BrC1=CC=CC2=C1CCC2 AC-80207 [1,0,0,1,0,0|0,1,0]=3 431 B11R2.106 CC1=CC=CC2=C1NCC2 AC-87645 [1,0,0,1,0,0|1,0,0]=3 432 B11R2.106 ClC1=CC=CC2=C1CCC2 AC-89770 [1,0,0,1,0,0|0,1,0]=3 433 B11R2.106 ClC1=CC=CC2=C1CCN2 AC-13493 [1,0,0,1,0,0|1,1,0]=4 434 B11R2.106 ClC1=CC=CC2=C1CNC2 AC-25986 [1,0,0,1,0,0|0,1,0]=3 435 B11R2.106 ClC1=CC=CC2=C1CNC2 AC-25987 [1,0,0,1,0,0|0,1,0]=3 436 B11R2.106 ClC1=CC=CC2=C1NCC2 AC-81547 [1,0,0,1,0,0|0,1,0]=3 437 B11R2.106 FC1=CC=CC2=C1CCC2 AC-88697 [1,0,0,1,0,0|0,0,0]=2 438 B11R2.106 FC1=CC=CC2=C1CCN2 AC-89742 [1,0,0,1,0,0|1,0,0]=3 439 B11R2.106 FC1=CC=CC2=C1CNC2 AC-29433 [1,0,0,1,0,0|0,0,0]=2 440 B11R2.106 IC1=CC=CC2=C1CCN2 AC-29930 [1,0,0,1,0,0|1,1,0]=4 441 B11R2.106 NC1=C2CCCC2=NC=C1 AC-89057 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.106 NC1=C2CCOC2=CC=C1 AC-80714 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.106 NC1=C2OCCC2=CC=C1 AC-84534 [1,0,0,1,0,0|2,0,0]=4 444 B11R2.106 NC1=CC=CC2=C1CCC2 AC-79406 [1,0,0,1,0,0|1,0,0]=3 445 B11R2.106 NC1=CC=CC2=C1CCN2 AC-79932 [1,0,0,1,0,0|2,0,0]=4 446 B11R2.106 NC1=CC=CC2=C1COC2 AC-72261 [1,0,0,1,0,0|2,0,0]=4 447 B11R2.106 NC1=CC=CC2=C1NCC2 AC-94618 [1,0,0,1,0,0|1,0,0]=3 448 B11R2.106 OC1=CC=CC2=C1CCC2 AC-81223 [1,0,0,1,0,0|1,0,0]=3 449 B11R2.106 OC1=CC=CC2=C1CNC2 AC-96006 [1,0,0,1,0,0|1,0,0]=3 450 B11R2.106 OC1=CC=CC2=C1NCC2 AC-81994 [1,0,0,1,0,0|1,0,0]=3 451 B11R2.1 CN1C=CC2=C1C=CC=C2 AC-13481 [1,0,0,1,0,0|0,0,2]=4 452 B11R2.1 CN1C=NC2=CC=CC=C21 AC-14085 [1,0,0,1,0,0|1,0,1]=4 453 B11R2.1 CN1N=CC2=C1C=CC=C2 AC-43239 [1,0,0,1,0,0|1,0,1]=4 454 B11R2.1 NC1CCC2=C1C=CC=C2 AC-20254 [1,0,0,1,0,0|2,0,0]=4 455 B11R2.1 NC1CCC2=C1C=CC=C2 AC-39373 [1,0,0,1,0,0|2,0,0]=4 456 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AC-68865 [1,0,0,1,0,0|2,0,0]=4 457 B11R2.1 O=C1CCC2=C1C=CC=C2 AC-14690 [1,0,0,1,0,0|2,0,0]=4 458 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 AC-83064 [1,0,0,1,0,0|2,0,0]=4 459 B11R2.20 C1=CC2=C(C=C1)COCC2 AC-76958 [1,0,0,1,0,0|1,0,0]=3 460 B11R2.20 C1=CC2=C(C=N1)CCCC2 AC-89576 [1,0,0,1,0,0|2,0,0]=4 461 B11R2.20 C1=CC2=C(C=N1)CCNC2 AC-80043 [1,0,0,1,0,0|1,0,0]=3 462 B11R2.20 C1=CC2=C(C=N1)CCNC2 AC-94483 [1,0,0,1,0,0|1,0,0]=3 463 B11R2.20 C1=CC2=C(C=N1)CNCC2 AC-81083 [1,0,0,1,0,0|1,0,0]=3 464 B11R2.20 C1=CC2=C(CCCC2)N=C1 AC-11253 [1,0,0,1,0,0|2,0,0]=4 465 B11R2.20 C1=CC2=C(CCNC2)N=C1 AC-39975 [1,0,0,1,0,0|1,0,0]=3 466 B11R2.20 C1=CC2=C(CCNC2)N=C1 AC-83959 [1,0,0,1,0,0|1,0,0]=3 467 B11R2.20 C1=NC=NC2=C1CNCC2 AC-94459 [1,0,0,1,0,0|2,0,0]=4 468 B11R2.238 C1=CC=C(CC2=NC2)C=C1 AC-83751 [1,0,0,1,0,0|0,0,2]=4 469 B11R2.238 C1=CC=C(SC2CC2)C=C1 AC-20420 [1,0,0,1,0,0|2,0,0]=4 470 B11R2.239 C1=CC=C(C2CNC2)C=C1 AC-39099 [1,0,0,1,0,0|0,0,0]=2 471 B13R2.13 BrC1=CC(N2CCCC2)=CC=C1 AC-93665 [0,1,0,1,0,0|1,1,0]=4 472 B13R2.13 CC1=CC(C2CCCN2)=CC=C1 AC-77057 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.13 ClC1=CC(C2CCCN2)=CC=C1 AC-26696 [0,1,0,1,0,0|1,1,0]=4 474 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 AC-29670 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.162 CC1=CC2=C(C=C1)CCCC2N AC-96398 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.162 CC1=CC=CC2=C1CC(=O)CC2 AC-93301 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.162 NC1=CC2=C(C=C1)CCCC2O AC-38078 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.162 NC1CCCC2=C1C=C(Cl)C=C2 AC-91431 [0,1,0,1,0,0|1,1,0]=4 479 B13R2.342 NC1CCCC2=C1C=CC=C2Cl AC-87416 [0,1,0,1,0,0|1,1,0]=4 480 B13R2.342 NC1CCCC2=C1C=CC=C2F AC-83103 [0,1,0,1,0,0|1,0,0]=3 481 B13R2.342 NC1CCCC2=C1C=CC=C2F AC-83216 [0,1,0,1,0,0|1,0,0]=3 482 B13R2.342 OC1CCCC2=C1C=CC=C2Br AC-90787 [0,1,0,1,0,0|1,1,0]=4 483 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2F AC-27940 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.3729 BrC1=CC=C2NCCCCC2=C1 AC-85901 [0,1,0,1,0,0|1,1,0]=4 485 B13R2.3729 ClC1=CC=C2CNCCOC2=N1 AC-93916 [0,1,0,1,0,0|1,1,0]=4 486 B13R2.4818 CN1CCCC2=C1C(O)=CC=C2 AC-88169 [0,1,0,1,0,0|1,0,0]=3 487 B13R2.4818 NC1=CC=CC2=C1C(=O)NCC2 AC-83271 [0,1,0,1,0,0|1,0,1]=4 488 B13R2.4818 O=C1CCOC2=C1C(F)=CC=C2 AC-89127 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.4818 O=C1NCCC2=C1C(Br)=CC=C2 AC-80158 [0,1,0,1,0,0|0,1,1]=4 490 B13R2.4818 O=C1NCCC2=C1C(Cl)=CC=C2 AC-90239 [0,1,0,1,0,0|0,1,1]=4 491 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 AC-87807 [0,1,0,1,0,0|1,0,1]=4 492 B13R2.5179 CC1=CC2=C(C=C1)C(N)CCC2 AC-88698 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.5179 CN1CCNC2=C1C=CC(F)=C2 AC-82047 [0,1,0,1,0,0|0,0,0]=2 494 B13R2.5179 NC1CCCC2=C1C=CC(Br)=C2 AC-92131 [0,1,0,1,0,0|1,1,0]=4 495 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(F)=C2 AC-80366 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 AC-23567 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.5179 O=C1NCCC2=C1C=CC(O)=C2 AC-80765 [0,1,0,1,0,0|1,0,1]=4 498 B13R2.155 NC1CCC2=C(C=C(Br)C=C2)C1 AC-33597 [0,1,0,1,0,0|1,1,0]=4 499 B13R2.155 NC1CCC2=C(C=C(F)C=C2)C1 AC-84745 [0,1,0,1,0,0|1,0,0]=3 500 B13R2.4856 CC1CC2=C(C1=O)C(F)=CC=C2 AC-90327 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.4856 CN1C(=O)CC2=C1C(N)=CC=C2 AC-88506 [0,1,0,1,0,0|1,0,1]=4 502 B13R2.5190 CN1C(=O)CC2=C1C=CC(Cl)=C2 AC-90671 [0,1,0,1,0,0|0,1,1]=4 503 B13R2.11642 O=C1CCC2=C1C(Br)=CC(F)=C2 AC-86554 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.11642 O=C1CCC2=C1C(F)=CC(Br)=C2 AC-77109 [0,1,0,1,0,0|2,0,0]=4 505 B13R2.3683 CC1CCC2=C(C=CC(Br)=C2)N1 AC-87626 [0,1,0,1,0,0|1,1,0]=4 506 B13R2.3683 CC1CCC2=C(C=CC(F)=C2)N1 AC-29736 [0,1,0,1,0,0|1,0,0]=3 507 B13R2.3683 CN1CCC2=C(C=CC(Br)=C2)C1 AC-90559 [0,1,0,1,0,0|0,1,0]=3 508 B13R2.3683 NC1CCC2=C(C=CC(Br)=C2)C1 AC-33601 [0,1,0,1,0,0|1,1,0]=4 509 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 AC-26916 [0,1,0,1,0,0|1,1,0]=4 510 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 AC-35326 [0,1,0,1,0,0|1,1,0]=4 511 B13R2.3683 NC1CCC2=C(C=CC(F)=C2)C1 AC-92638 [0,1,0,1,0,0|1,0,0]=3 512 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 AC-82131 [0,1,0,1,0,0|1,0,0]=3 513 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 AC-29744 [0,1,0,1,0,0|1,0,0]=3 514 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)C1 AC-65541 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.3683 OC1CCC2=C(C=CC(F)=C2)C1 AC-87734 [0,1,0,1,0,0|1,0,0]=3 516 B13R2.371 FC1=CC=C(Cl)C2=C1NCCC2 AC-88624 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.371 NC1=CC=C(Br)C2=C1CNCC2 AC-91919 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.5151 NC1CCC2=C1C(F)=CC=C2F AC-91309 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.5151 O=C1CCC2=C1C(F)=CC=C2Br AC-80572 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.5151 O=C1CCC2=C1C(F)=CC=C2F AC-91798 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.57 COC1=CC2=C(C=C1)CNCC2 AC-42878 [0,1,0,1,0,0|1,0,0]=3 522 B13R2.57 N#CC1=CC2=C(C=C1)CNCC2 AC-41421 [0,1,0,1,0,0|1,0,0]=3 523 B13R2.1613 COC1=CC=CC2=C1CNCC2 AC-41434 [0,1,0,1,0,0|1,0,0]=3 524 B13R2.1613 N#CC1=CC=CC2=C1CNCC2 AC-90688 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.369 ClC1=CC2=C(C=C1Cl)CNCC2 AC-88332 [0,1,0,1,0,0|0,1,0]=3 526 B13R2.369 NC1=CC2=C(C=C1F)NCCC2 AC-95897 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.522 N[C@@H]1C[C@H]1C2=CC=C(F)C(F)=C2 AC-73865 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.3790 O=C1CCC2=C1C(F)=C(Cl)C=C2 AC-95526 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.11634 CN1N=CC2=C1C=C(Br)C(F)=C2 AC-80272 [0,1,0,1,0,0|1,0,1]=4 530 B13R2.11634 NC1CCC2=C1C=C(Cl)C(F)=C2 AC-88129 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.11634 O=C1CCC2=C1C=C(Cl)C(F)=C2 AC-80203 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.7 CC1=CC=C(CCN)S1 AC-61042 [1,0,0,0,1,0|2,0,0]=4 533 B9R1.33 CNCC1=CC=CN1C AC-56678 [1,0,0,0,1,0|2,0,0]=4 534 B9R1.33 CNCC1=CSC=C1Br AC-88743 [1,0,0,0,1,0|1,1,0]=4 535 B9R1.12 CCCCC1=CSC=C1 AC-83170 [1,0,0,0,1,0|2,0,0]=4