0 B12R1.8 O=COC\C=C\C1=CC=CC=C1 HR142069 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.28 CCOCCC1=CC=CC=C1 HR133449 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.28 O=CCOCC1=CC=CC=C1 HR124340 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.28 O=COCCC1=CC=CC=C1 HR127546 [1,0,0,0,0,0|0,0,1]=2 4 B13R1.42 C=COC(=O)\C=C\C1=CC=CC=C1 HR137610 [0,1,0,0,0,0|1,0,1]=3 5 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 HR122282 [0,1,0,0,0,0|1,0,2]=4 6 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 HR117545 [0,1,0,0,0,0|1,0,2]=4 7 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 HR141678 [0,1,0,0,0,0|0,0,2]=3 8 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 HR102608 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 HR133225 [0,1,0,0,0,0|0,0,0]=1 10 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 HR126320 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 HR115619 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 HR126169 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 HR136169 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 HR33578 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 HR120475 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 HR101036 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.337 O=C(O)\C=C\C=C\c1ccccc1 HR126216 [0,1,0,0,0,0|1,0,1]=3 18 B13R2.3 C1=CC=C(C2=CC=CN=C2)C=C1 HR134663 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.3 C1=CC=C(C2=CC=NC=C2)C=C1 HR135821 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 HR1894 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 HR131529 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 HR142574 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 HR134377 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 HR30255 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.15 NC1=C(C2=CC=CC=C2)C=NN1 HR108375 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.15 O=C1CCCN1C2=CC=CC=C2 HR131886 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.1613 C=CC1=CC=CC2=CC=CC=C12 HR114497 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.1613 O=CC1=C2C=NC=CC2=CC=C1 HR146993 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.1613 O=CC1=C2N=CC=CC2=CC=C1 HR123272 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 HR109463 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.1613 O=CC1=CC=CC2=C1C=CN=C2 HR102482 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 HR135506 [0,0,0,1,0,0|1,0,1]=3 33 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 HR30350 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 HR32189 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 HR103112 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 HR125755 [0,0,0,1,0,0|1,0,2]=4 37 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 HR110952 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 HR109025 [0,0,0,1,0,0|1,0,2]=4 39 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 HR147131 [0,0,0,1,0,0|2,0,1]=4 40 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 HR144523 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.17 BrC\C=C\C1=CC=CC=C1 HR137089 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.17 C=CCNC1=CC=CC=C1 HR143241 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 C=CCOC1=CC=CC=C1 HR135359 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 CCOCC1=CC=CC=C1 HR135944 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.17 COCCC1=CC=CC=C1 HR133177 [2,0,0,0,0,0|0,0,2]=4 46 B10R1.17 ClC\C=C\C1=CC=CC=C1 HR137335 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.17 N#C\C=C\C1=CC=CC=C1 HR129425 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.17 O=C=NCC1=CC=CC=C1 HR134544 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.17 O=CC#CC1=CC=CC=C1 HR137974 [2,0,0,0,0,0|0,0,2]=4 50 B10R1.17 O=CCCc1ccccc1 ECCQ01303 [2,0,0,0,0,0|0,0,1]=3 51 B10R1.17 O=COCC1=CC=CC=C1 HR141973 [2,0,0,0,0,0|0,0,0]=2 52 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR100316 [2,0,0,0,0,0|0,0,0]=2 53 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR133706 [2,0,0,0,0,0|0,0,0]=2 54 B10R1.17 OCC#CC1=CC=CC=C1 HR132112 [2,0,0,0,0,0|0,0,2]=4 55 B10R1.17 OCCCC1=CC=CC=C1 HR132460 [2,0,0,0,0,0|0,0,2]=4 56 B10R1.17 OCCNC1=CC=CC=C1 HR138206 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.17 OCCOC1=CC=CC=C1 HR135852 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.17 OCCSC1=CC=CC=C1 HR133868 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.17 OCOCC1=CC=CC=C1 HR100600 [2,0,0,0,0,0|0,0,2]=4 60 B10R1.17 OC\C=C\C1=CC=CC=C1 HR126268 [2,0,0,0,0,0|0,0,0]=2 61 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HR126510 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.30 CN(\C=C\C=O)c1ccccc1 HR132068 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.32 CN(CC=O)CC1=CC=CC=C1 ACSA02515 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HR146298 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.252 CC(=O)NCCC1=CC=CC=C1 HR109426 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HR125515 [1,1,0,0,0,0|0,0,1]=3 67 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 HR115794 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 HR140519 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HR124591 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.252 O=C(O)CCSC1=CC=CC=C1 HR111900 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR111018 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR132729 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.252 O=C(O)COCC1=CC=CC=C1 HR136190 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.252 O=C(O)CSCC1=CC=CC=C1 HR141291 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.677 O=C(O)CC\C=C\C1=CC=C(F)C=C1 HR135523 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 HR134785 [0,2,0,0,0,0|1,0,1]=4 77 B14R1.156 C=CCOC(=O)\C=C\C1=CC=CC=C1 HR125203 [0,2,0,0,0,0|1,0,1]=4 78 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 HR126940 [0,2,0,0,0,0|1,0,1]=4 79 B14R1.716 C=CC(=O)OCCSC1=CC=CC=C1 HR109510 [0,2,0,0,0,0|1,0,1]=4 80 B14R1.716 CCC(=O)OCCOC1=CC=CC=C1 HR145424 [0,2,0,0,0,0|1,0,1]=4 81 B14R1.716 CCC(=O)OC\C=C\C1=CC=CC=C1 HR125955 [0,2,0,0,0,0|0,0,0]=2 82 B14R1.423 NC(=O)OCC(N)CC1=CC=CC=C1 R2CQ017 [0,2,0,0,0,0|0,0,2]=4 83 B14R1.6449 NC(C\C=C\c1ccccc1)C(=O)O HR132534 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.6449 NC(C\C=C\c1ccccc1)C(=O)O HR132812 [0,2,0,0,0,0|1,0,0]=3 85 B12R2.1 O=CC1=C2C=CC=CN2C=C1 HR115295 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.1 O=CC1=CNC2=CC=CC=C12 HR125204 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.1 O=CC1=CSC2=C1C=CC=C2 HR33608 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.1 O=CN1CCC2=CC=CC=C21 HR120064 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 HR33908 [1,0,0,1,0,0|1,0,1]=4 90 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 HR102886 [1,0,0,1,0,0|0,1,1]=4 91 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 HR141466 [1,0,0,1,0,0|1,0,1]=4 92 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 HR107669 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 HR126832 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.2 C1=CC=C(C2=CNN=C2)C=C1 HR30256 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 HR140351 [1,0,0,1,0,0|1,0,0]=3 96 B12R2.2 C1=CC=C(C2=CSC=C2)C=C1 HR114091 [1,0,0,1,0,0|0,1,1]=4 97 B12R2.2 C1=CC=C(C2=CSC=N2)C=C1 HR134648 [1,0,0,1,0,0|1,1,0]=4 98 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 HR138508 [1,0,0,1,0,0|1,0,1]=4 99 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 HR104678 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.1081 CC1=NC=CC2=CC=CC=C21 HR146527 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 HR30351 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.1081 FC1=CC=CC2=CC=CC=C12 HR10866 [1,0,0,1,0,0|1,0,1]=4 103 B12R2.1081 IC1=CC=CC2=CC=CC=C12 HR135868 [1,0,0,1,0,0|1,0,1]=4 104 B12R2.1081 IC1=NC=CC2=CC=CC=C21 HR153220 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.1081 NC1=CC=CC2=CC=CC=C12 HR150840 [1,0,0,1,0,0|1,0,1]=4 106 B12R2.1081 NC1=NC=CC2=CC=CC=C21 HR32230 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.1081 O=C1C=COC2=CC=CC=C12 HR102011 [1,0,0,1,0,0|1,0,1]=4 108 B12R2.1081 O=C1CCCC2=CC=CC=C12 HR132797 [1,0,0,1,0,0|0,0,2]=4 109 B12R2.1081 O=C1CCNC2=CC=CC=C12 HR30546 [1,0,0,1,0,0|1,0,1]=4 110 B12R2.1081 O=C1CCOC2=CC=CC=C12 HR126217 [1,0,0,1,0,0|1,0,1]=4 111 B12R2.1081 O=C1CCSC2=CC=CC=C12 HR142757 [1,0,0,1,0,0|1,0,1]=4 112 B12R2.1081 O=C1COCC2=CC=CC=C12 HR147792 [1,0,0,1,0,0|1,0,1]=4 113 B12R2.1081 O=C1NC=CC2=C1C=CC=N2 HR32346 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.1081 O=C1NC=CC2=C1N=CC=C2 HR32054 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.1081 O=C1NC=CC2=CC=CC=C12 HR104660 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.1081 O=C1NC=CC2=CC=NC=C12 HR32342 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.1081 O=C1NC=CC2=CN=CC=C12 HR118368 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.1081 O=C1NCCC2=CC=CC=C12 HR129688 [1,0,0,1,0,0|1,0,1]=4 119 B12R2.1081 O=C1NN=CC2=CC=CC=C12 HR32339 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.1081 O=C1OCCC2=CC=CC=C12 HR31885 [1,0,0,1,0,0|0,0,1]=3 121 B12R2.1081 O=C1OCCC2=CC=NC=C12 HR112992 [1,0,0,1,0,0|1,0,1]=4 122 B12R2.1081 OC1=CC=CC2=CC=CC=C12 HR131212 [1,0,0,1,0,0|0,0,2]=4 123 B12R2.1081 SC1=CC=CC2=CC=CC=C12 HR123377 [1,0,0,1,0,0|0,1,1]=4 124 B14R2.8 O=CC1=CC=C(C2=CC=CC=C2)S1 HR119747 [0,1,0,1,0,0|1,0,1]=4 125 B14R2.8 O=CC1=NC(C2=CC=CC=C2)=CS1 HR146502 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.8 O=CC1=NC=C(C2=CC=CC=C2)O1 HR146501 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.1131 O=CC1=CC=C(F)C2=CC=CC=C12 HR153363 [0,1,0,1,0,0|1,0,1]=4 128 B14R2.1131 O=CC1=CC=C(O)C2=CC=CC=C12 HR131397 [0,1,0,1,0,0|1,0,1]=4 129 B14R2.24 O=C1COCCN1C2=CC=CC=C2 HR114060 [0,1,0,1,0,0|1,0,1]=4 130 B14R2.101 C(=C\C1OCCO1)/c2ccccc2 HR130043 [0,1,0,1,0,0|0,0,2]=4 131 B14R2.203 O=CC1=C(O)C=CC2=CC=CC=C21 HR126238 [0,1,0,1,0,0|1,0,1]=4 132 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 HR138833 [0,1,0,1,0,0|0,0,1]=3 133 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 HR127082 [0,1,0,1,0,0|0,0,2]=4 134 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 HR6915 [0,1,0,1,0,0|0,0,2]=4 135 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 HR139534 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.2 CC(=O)OC1=COC2=C1C=CC=C2 HR104843 [0,1,0,1,0,0|1,0,1]=4 137 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 HR114165 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.31359 CC(=O)C1=NC=CC2=CC=CC=C21 HR114291 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.31359 CC(=O)c1cccc2ccccc12 HR133864 [0,1,0,1,0,0|1,0,1]=4 140 B14R2.31359 O=C(Cl)C1=CC=CC2=CC=CC=C21 HR131744 [0,1,0,1,0,0|1,0,1]=4 141 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 HR137841 [0,1,0,1,0,0|1,0,1]=4 142 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 HR127058 [0,1,0,1,0,0|2,0,0]=4