0 B11R1.41 COC1=C(CC#N)C=CC=C1 1779153 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.41 COC1=CC=CC=C1CCO 1204389 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.4 C=CCC1=C(O)C=CC=C1 2827010 [1,0,0,0,0,0|1,0,1]=3 3 B10R1.4 CC1=C(N=C=O)C=CC=C1 1055563 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.4 CC1=CC=CC=C1CC#N 1287073 [1,0,0,0,0,0|0,0,2]=3 5 B10R1.4 CCOC1=C(O)C=CC=C1 2827244 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.4 CCOC1=CC=CC=C1N 1314577 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.4 N#CCC1=C(F)C=CC=C1 1519443 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.4 NCCC1=C(O)C=CC=C1 2227237 [1,0,0,0,0,0|0,0,0]=1 9 B10R1.4 NCCC1=CC=CC=C1F 6051017 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.20 BrCC1=CC=CC=C1CBr 3585819 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.20 COC1=C(C#N)C=CC=C1 1778845 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.20 COC1=C(C=O)C=CC=C1 1180631 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.20 COC1=C(CO)C=CC=C1 1778903 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.20 COC1=C(OC)C=CC=C1 2827242 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.20 COC1=CC=CC=C1NN 5009392 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.20 CSC1=C(CCl)C=CC=C1 7020542491 [1,0,0,0,0,0|1,1,0]=3 17 B10R1.20 CSC1=C(CO)C=CC=C1 7020542492 [1,0,0,0,0,0|1,1,0]=3 18 B10R1.20 ClCC1=C(CCl)C=CC=C1 2837943 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.20 N#CC1=C(CCl)C=CC=C1 2829304 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.20 N#CC1=CC=CC=C1CBr 7212550795 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 1780154 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.75 COC1=C(NC(N)=S)C=CC=C1 7113231783 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.75 CSC1=CC=CC=C1CC(=O)O 1287090 [0,1,0,0,0,0|1,1,1]=4 24 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 2125404 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.77 COC1=C(C(C)CO)C=CC=C1 1780187 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.77 COC1=CC=CC=C1C(=O)NN 7117190031 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.77 COC1=CC=CC=C1\C(N)=N/O 4772538 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.121 CCCNC1=C(OC)C=CC=C1 1367252 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.121 CCCOC1=C(C=O)C=CC=C1 2083919 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.121 CNCCC1=C(OC)C=CC=C1 7020694233 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.121 COC1=C(OCCN)C=CC=C1 15298415 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.169 CCOC1=C(N=C=O)C=CC=C1 2823465 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 7016233988 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.1 NCC1=CNC2=CC=CC=C12 7020690230 [0,0,0,1,0,0|1,0,2]=4 35 B12R2.18 NC1CC2=CC=CC=C2C1O 2048787 [0,0,0,1,0,0|2,0,0]=3 36 B12R2.24 CC1CNC2=CC=CC=C2C1 1050537 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.24 CC1CNC2=CC=CC=C2O1 1217660 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.24 CC1CNC2=CC=CC=C2O1 2204844 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.24 NC1COC2=CC=CC=C2C1 1179713 [0,0,0,1,0,0|0,0,0]=1 40 B12R2.24 O=C1COC2=CC=CC=C2N1 7020041238 [0,0,0,1,0,0|2,0,1]=4 41 B12R2.41 C1=CC2=C(C=C1)OCCCO2 7020410055 [0,0,0,1,0,0|2,0,0]=3 42 B12R2.315 COC1=CC=CC2=C1NC=C2 4247506 [0,0,0,1,0,0|2,0,1]=4 43 B12R2.1081 NC1CCCC2=CC=CC=C21 5011931 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.1081 O=C1CCCC2=C1C=CC=C2 1202501 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.2048 COC1=C(C2CO2)C=CC=C1 1205191 [0,0,0,1,0,0|1,0,0]=2 46 B9R1.8 BrCCC1=CC=CC=C1 2889217 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 CCCC1=CC=CC=C1 2826136 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.8 CCNC1=CC=CC=C1 1220427 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.8 CCOC1=CC=CC=C1 2826174 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 CNCC1=CC=CC=C1 1268163 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 ClCCC1=CC=CC=C1 2827551 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.8 N#CCC1=CC=CC=C1 1519434 [2,0,0,0,0,0|0,0,2]=4 53 B9R1.8 NCCC1=CC=CC=C1 1038619 [2,0,0,0,0,0|0,0,0]=2 54 B9R1.8 NNCC1=CC=CC=C1 1972969 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.8 O=CCC1=CC=CC=C1 1204419 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.8 OCCC1=CC=CC=C1 1204382 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 OCCC1=CC=CC=N1 1204379 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 BrCC1=C(Br)C=CC=C1 4435191 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 CC1=C(C#N)C=CC=C1 1901688 [2,0,0,0,0,0|0,0,2]=4 61 B9R1.15 CC1=C(C=O)C=CC=C1 1901705 [2,0,0,0,0,0|1,0,1]=4 62 B9R1.15 CC1=C(CCl)C=CC=C1 2048751 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.15 CC1=C(CN)C=CC=C1 1038609 [2,0,0,0,0,0|0,0,0]=2 64 B9R1.15 CC1=C(CO)N=CC=C1 2817350 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 CC1=CC=CN=C1NN 1033422 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 CCC1=C(N)C=CC=C1 2826161 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.15 CCC1=C(O)C=CC=C1 2826180 [2,0,0,0,0,0|0,0,0]=2 68 B9R1.15 CNC1=CC=CC=C1N 6871417 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.15 COC1=C(Br)C=CC=C1 1287441 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.15 COC1=C(C)C=CC=C1 2826177 [2,0,0,0,0,0|0,0,0]=2 71 B9R1.15 COC1=C(Cl)C=CC=C1 2827881 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.15 COC1=C(F)C=CC=C1 2826313 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.15 COC1=C(N)C=CC=C1 1314580 [2,0,0,0,0,0|0,0,0]=2 74 B9R1.15 COC1=C(O)C=CC=C1 2826229 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.15 COC1=CC=CN=C1N 1514805 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.15 CSC1=CC=CC=C1Br 22430606 [2,0,0,0,0,0|1,1,0]=4 77 B9R1.15 ClCC1=C(Cl)C=CC=C1 2048846 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 FC1=CC=CC=C1CCl 2048768 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.15 N#CC1=C(N)C=CC=C1 2826071 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.15 N#CC1=CC=CC=C1O 2129603 [2,0,0,0,0,0|0,0,2]=4 81 B9R1.15 NCC1=C(Cl)C=CC=C1 1038613 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.15 NCC1=C(F)C=CC=C1 7020330618 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.15 NCC1=C(F)C=CC=N1 5027490 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.15 NNC1=C(Cl)C=CC=C1 1156642 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.15 NNC1=C(F)C=CC=C1 2832682 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.15 O=CC1=C(O)C=CC=C1 2129572 [2,0,0,0,0,0|1,0,1]=4 87 B9R1.15 OCC1=C(Cl)C=CC=C1 2048757 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.15 OCC1=CC=CC=C1Br 2049225 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.17 BrCCCC1=CC=CC=C1Br 6184625 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.17 CC1=C(OCCN)C=CC=C1 7020330515 [1,1,0,0,0,0|0,0,0]=2 91 B11R1.17 CC1=C(OCCN)C=CC=C1 970475 [1,1,0,0,0,0|0,0,0]=2 92 B11R1.17 CC1=CC=CC=C1OCC#N 7020402309 [1,1,0,0,0,0|0,0,2]=4 93 B11R1.17 CCCNC1=C(Cl)C=CC=C1 1367451 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.17 FC1=CC=CC=C1CCCCl 1275126 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.17 OCCCC1=CC=CC=C1F 1204349 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 1779236 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 0104540046 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.86 CC1=CC=CC=C1NC(=N)N 2125462 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.182 C=CCC1=CC(Cl)=CC=C1O 1392641 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.182 CCOC1=CC(Br)=CC=C1O 7020688452 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.222 CC1=C(C(C)CN)C=CC=C1 1779212 [1,1,0,0,0,0|0,0,0]=2 102 B11R1.222 CCC(C)C1=C(N)C=CC=C1 2829031 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.222 NCC(O)C1=CC=CC=C1O 4670414 [1,1,0,0,0,0|0,0,0]=2 104 B11R1.37 COC1=C(OC)C=C(C)C=C1 2829352 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.37 COC1=C(OC)C=C(N)C=C1 2829550 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.37 COC1=C(OC)C=C(O)C=C1 3474805 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.37 COC1=CC=C(Br)C=C1C=O 7014792376 [1,1,0,0,0,0|1,0,1]=4 108 B11R1.37 COC1=CC=C(Cl)C=C1CN 7020670557 [1,1,0,0,0,0|0,0,0]=2 109 B11R1.53 CC(C)C1=C(CN)C=CC=C1 2048794 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.53 COC1=C(C(=O)O)C=CC=C1 1779305 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.53 COC1=C(C(C)=O)C=CC=C1 1505978 [1,1,0,0,0,0|0,0,1]=3 112 B11R1.53 COC1=C(C(C)C)C=CC=C1 5024106 [1,1,0,0,0,0|0,0,0]=2 113 B11R1.53 COC1=CC=CC=C1C(=O)Cl 1051716 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.265 COC1=C(C=O)C(O)=CC=C1 7028975 [1,1,0,0,0,0|1,0,1]=4 115 B13R1.89 COC1=C(C(C)C(=O)O)C=CC=C1 1201984 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.91 COC(=O)CC1=C(OC)C=CC=C1 1903693 [0,2,0,0,0,0|1,0,1]=4 117 B13R1.91 COC1=C(NC(=O)CCl)C=CC=C1 1194679 [0,2,0,0,0,0|1,0,1]=4 118 B13R1.91 COC1=CC=CC=C1OC(=O)CN 1903788 [0,2,0,0,0,0|0,0,1]=3 119 B13R1.464 CNCC(O)C1=C(OC)C=CC=C1 1055894 [0,2,0,0,0,0|0,0,0]=2 120 B13R1.464 COC1=CC=CC=C1C(=O)CC#N 1780894 [0,2,0,0,0,0|0,0,2]=4 121 B13R1.2129 COC1=C(C(C)(C)C#N)C=CC=C1 1974115 [0,2,0,0,0,0|0,0,2]=4 122 B13R1.1248 CCOC1=CC=C(N)C=C1OCC 1506825 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.1249 CCOC1=C(OC)C=C(C#N)C=C1 7020671319 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 7020401731 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 7020330612 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.1249 COC1=CC=C(CCN)C(OC)=C1 1038639 [0,2,0,0,0,0|0,0,0]=2 127 B13R1.84 COC1=C(CCCCN)C=CC=C1 1038745 [0,2,0,0,0,0|0,0,0]=2 128 B13R1.84 COC1=CC=CC=C1CCN=C=O 1055546 [0,2,0,0,0,0|0,0,1]=3 129 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 7020400399 [0,2,0,0,0,0|1,0,0]=3 130 B13R1.90 COC1=CC=CC=C1OCC(=O)O 7212550897 [0,2,0,0,0,0|1,0,1]=4 131 B13R1.485 CCOC1=C(OCCBr)C=CC=C1 1810431 [0,2,0,0,0,0|1,0,0]=3 132 B13R1.485 CCOC1=CC=CC=C1OCC#N 7020687443 [0,2,0,0,0,0|0,0,2]=4 133 B13R1.572 CC(C)C1=CC=CC=C1OCCN 7020330488 [0,2,0,0,0,0|1,0,0]=3 134 B13R1.572 NCCNC1=CC=CC=C1[N+](=O)[O-] 7017520039 [0,2,0,0,0,0|2,0,0]=4 135 B13R1.3904 CCOC1=C(OC)C=CC=C1C#N 7020681326 [0,2,0,0,0,0|2,0,0]=4 136 B13R1.3904 CCOC1=C(OC)C=CC=C1C=O 7020401733 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.28 NCC\C=C\C1=CC=CC=C1 1366782 [0,0,1,1,0,0|1,0,1]=4 138 B11R2.10 CC1CC2=C(C=CC=C2)N1 14991776 [1,0,0,1,0,0|2,0,0]=4 139 B11R2.10 O=C1CC2=CC=CC=C2C1 15296930 [1,0,0,1,0,0|1,0,1]=4 140 B11R2.20 C1=CC2=C(C=C1)CNCC2 1038831 [1,0,0,1,0,0|0,0,0]=2 141 B11R2.20 C1=CC=C2CCCCC2=C1 2826907 [1,0,0,1,0,0|1,0,0]=3 142 B11R2.20 C1=CC=C2NCCCC2=C1 2048736 [1,0,0,1,0,0|2,0,0]=4 143 B11R2.20 C1=CC=C2OCCNC2=C1 1217659 [1,0,0,1,0,0|2,0,0]=4 144 B11R2.20 C1=CC=C2OCCOC2=C1 2827086 [1,0,0,1,0,0|2,0,0]=4 145 B11R2.1 CN1CCC2=CC=CC=C21 3585918 [1,0,0,1,0,0|1,0,0]=3 146 B11R2.1 O=C1CCC2=CC=CC=C12 1202552 [1,0,0,1,0,0|2,0,0]=4 147 B11R2.1 O=C1NCC2=C1C=CC=C2 2422687 [1,0,0,1,0,0|2,0,0]=4 148 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 7577009 [0,1,0,1,0,0|1,0,1]=4 149 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 7110950335 [0,1,0,1,0,0|1,0,1]=4 150 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 1888483 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.91 COC1=CC=CC=C1C2(N)CC2 1059088 [0,1,0,1,0,0|1,0,0]=3 152 B13R2.1613 COC1=C2CNCCC2=CC=C1 6050982 [0,1,0,1,0,0|1,0,0]=3 153 B13R2.2931 CN1C=C(CN)C2=CC=CC=C21 7020690263 [0,1,0,1,0,0|1,0,1]=4 154 B13R2.5252 NC1CCCOC2=CC=CC=C21 6050986 [0,1,0,1,0,0|1,0,0]=3 155 B13R2.5252 O=C1CCCCC2=CC=CC=C12 1202517 [0,1,0,1,0,0|2,0,0]=4 156 B13R2.1 NCCC1=CNC2=C1C=CC=C2 2832112 [0,1,0,1,0,0|1,0,1]=4 157 B13R2.1 NCCC1=COC2=CC=CC=C12 1499599 [0,1,0,1,0,0|0,0,1]=3 158 B13R2.1 NCCN1C=NC2=C1C=CC=C2 7138791 [0,1,0,1,0,0|1,0,1]=4 159 B13R2.1 NCCN1CCC2=C1C=CC=C2 7110950211 [0,1,0,1,0,0|1,0,0]=3 160 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 1207432 [0,1,0,1,0,0|1,0,1]=4 161 B13R2.45 CN1C2=CC=CC=C2N=C1CN 7553782 [0,1,0,1,0,0|1,0,1]=4 162 B13R2.57 NCC1COC2=CC=CC=C2O1 22430425 [0,1,0,1,0,0|0,0,0]=2 163 B13R2.573 COC1=C2CCC(=O)C2=CC=C1 1202567 [0,1,0,1,0,0|1,0,0]=3 164 B13R2.369 NC1CC2=CC=CC=C2NC1=O 2048871 [0,1,0,1,0,0|1,0,1]=4 165 B13R2.2136 NCC1CCC2=CC=C(Cl)C=C21 1782085 [0,1,0,1,0,0|1,0,0]=3 166 B13R2.5179 CN1CCCC2=C1C=CC(Br)=C2 1362070 [0,1,0,1,0,0|2,0,0]=4 167 B13R2.5569 O=[N+]([O-])C1=C2CCNC2=CC=C1 3711013 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.33 CC1=NC=CN1CCN 7138653 [1,0,0,0,1,0|2,0,0]=4 169 B9R1.33 CN1C=NC=C1CCN 6850082 [1,0,0,0,1,0|2,0,0]=4