0 B10R1.66 CC(=O)OCC1=CC=CO1 HR128138 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.66 CC(=O)OCC1CCCO1 HR131629 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.66 CC(=S)OCC1=CC=CO1 HR138137 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.66 CC(C)SCC1=CC=CO1 HR129515 [0,0,0,0,0,0|1,1,1]=3 4 B10R1.66 O=C(O)CCC1=CC=CN1 HR147312 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.66 O=C(O)CCC1=CC=CO1 HR138114 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.66 O=C(O)CCC1=CC=CS1 HR133338 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.66 O=C(O)CC[C-]1C=CC=C1 HR141171 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.66 O=C(O)\C=C\C1=CC=CO1 HR124869 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.66 O=C(O)\C=C\C1=CC=CS1 HR116920 [0,0,0,0,0,0|2,1,1]=4 10 B10R1.66 O=C(O)\C=C\C1=CC=CS1 HR142692 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.12 CCCCC1=CC=CS1 HR153368 [1,0,0,0,0,0|1,1,1]=4 12 B9R1.12 CCNCC1=CC=CS1 HR115954 [1,0,0,0,0,0|1,1,1]=4 13 B9R1.12 CSSCC1=CC=CO1 HR131545 [1,0,0,0,0,0|1,1,0]=3 14 B9R1.12 O=C\C=C\C1=CC=CO1 HR124236 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.12 O=C\C=C\C1=CC=CO1 HR138531 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.12 S=COCC1=CC=CO1 HR125026 [1,0,0,0,0,0|0,1,0]=2 17 B11R1.25 CCC(=O)OCC1=CC=CO1 HR125024 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.25 CCC(=S)OCC1=CC=CO1 HR136091 [0,1,0,0,0,0|0,1,0]=2 19 B11R1.25 COC(=O)CCC1=CC=CN1 HR119634 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.25 COC(=O)CCC1=CC=CS1 HR116533 [0,1,0,0,0,0|1,1,0]=3 21 B11R1.35 CC(NC1=CC=CO1)C(=O)O HR128335 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.35 NC(CC1=CC=CO1)C(=O)O HR128070 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.35 NC(CC1=CC=CS1)C(=O)O HR131216 [0,1,0,0,0,0|2,1,0]=4 24 B11R1.35 NC(CC1=CC=CS1)C(=O)O HR143345 [0,1,0,0,0,0|2,1,0]=4 25 B11R1.75 CC(=O)OCC1=CN=C(Cl)S1 HR118404 [0,1,0,0,0,0|1,1,0]=3 26 B11R1.77 NC(CC(=O)O)C1=CC=CO1 HR122086 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.2 CCC\C=C\COC(C)=O HR112120 [0,0,1,0,0,0|1,0,2]=4 28 B9R0.2 CC\C=C\CCOC(C)=O HR130251 [0,0,1,0,0,0|1,0,2]=4 29 B9R0.2 C\C=C\C=C\COC(C)=O HR141589 [0,0,1,0,0,0|1,0,0]=2 30 B11R2.36 CC1=CC2=C(C=C1)OC=C2 HR30480 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.36 O=C1CCC2=C(C=NN2)C1 HR113222 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.13 CC(=O)NC1=NC=CS1 HR141492 [0,0,0,0,1,0|2,1,0]=4 33 B9R1.13 CC(=O)NC1=NNC=C1 HR148812 [0,0,0,0,1,0|3,0,0]=4 34 B9R1.13 CC(N)CC1=CC=CS1 HR106138 [0,0,0,0,1,0|1,1,1]=4 35 B9R1.13 O=C(Cl)CC1=CC=CS1 HR125660 [0,0,0,0,1,0|1,1,0]=3 36 B9R1.13 O=C(O)CC1=CC=CO1 HR17310 [0,0,0,0,1,0|1,0,0]=2 37 B9R1.13 O=C(O)CC1=CC=CS1 HR125405 [0,0,0,0,1,0|1,1,0]=3 38 B9R1.13 O=C(O)CC1=CN=CN1 OSXM01601 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.13 O=C(O)CC1=CNC=N1 HR112872 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.13 O=C(O)CC1=CSC=C1 HR143350 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.13 O=C(O)CC1=CSC=N1 HR112091 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.13 O=C(O)Cc1nccs1 HR148328 [0,0,0,0,1,0|2,1,0]=4 43 B11R1.91 CC(=O)CCC1=CC=CC=C1 HR131653 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.91 CC(=O)NCC1=CC=CC=C1 HR101818 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.91 CC(=O)NNC1=CC=CC=C1 HR123814 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.91 CC(=O)OCC1=CC=CC=C1 HR124107 [0,0,0,0,0,1|1,0,0]=2 47 B11R1.91 CC(=O)SSC1=CC=CC=C1 HR138175 [0,0,0,0,0,1|2,1,0]=4 48 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR126722 [0,0,0,0,0,1|2,0,1]=4 49 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR129858 [0,0,0,0,0,1|2,0,1]=4 50 B11R1.91 CC(C)=CCC1=CC=CC=C1 HR143896 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.91 NC(=O)CCC1=CC=CC=C1 HR143750 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.91 NC(=O)NCC1=CC=CC=C1 HR144984 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.91 NC(=O)OCC1=CC=CC=C1 HR134339 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 HR125999 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.91 O=C(O)CCC1=CC=CC=C1 HR131731 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.91 O=C(O)CCC1=CC=CN=C1 HR108389 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.91 O=C(O)CCC1=NC=CC=C1 HR109593 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.172 CC(=O)CSCc1ccco1 HR100822 [0,0,0,0,0,1|0,1,0]=2 59 B11R1.172 O=C(O)CCCC1=CC=CS1 HR34165 [0,0,0,0,0,1|2,1,0]=4 60 B8R0.7 C=CCCCOC(C)=O HR143247 [1,0,1,0,0,0|0,0,2]=4 61 B8R1.8 CCCc1cccs1 HR132275 [2,0,0,0,0,0|0,1,1]=4 62 B8R1.8 CNCC1=CC=CS1 HR110963 [2,0,0,0,0,0|1,1,0]=4 63 B8R1.8 CNCC1=CC=CS1 HR117241 [2,0,0,0,0,0|1,1,0]=4 64 B8R1.8 CNCC1=CC=NO1 HR110883 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.8 COCC1=CC=CS1 HR153359 [2,0,0,0,0,0|0,1,0]=3 66 B8R1.8 CSCC1=CC=CO1 HR129428 [2,0,0,0,0,0|0,1,0]=3 67 B8R1.8 NCCC1=CC=CO1 HR118527 [2,0,0,0,0,0|1,0,1]=4 68 B8R1.8 O=CCC1=CC=CS1 HR104291 [2,0,0,0,0,0|0,1,0]=3 69 B10R1.11 CCOC(=O)C1=CC=CO1 HR131883 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.16 CSSCc1ccc(C)o1 HR121074 [1,1,0,0,0,0|1,1,0]=4 71 B10R1.21 CCCCCC1=CC=CO1 HR126128 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.23 NC(C(=O)O)c1cccs1 HR114356 [0,1,0,0,1,0|1,1,0]=4 73 B10R1.23 O=C(O)C(O)C1=CC=CS1 HR145753 [0,1,0,0,1,0|1,1,0]=4 74 B10R1.64 CN1C=CC=C1CC(=O)O HR15041 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HR21102 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HR125616 [0,1,0,0,0,1|1,0,0]=3 77 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 HR128829 [0,1,0,0,0,1|1,0,1]=4 78 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HR128344 [0,1,0,0,0,1|1,0,0]=3 79 B12R1.27 COC(=O)CCC1=CC=CC=C1 HR127854 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR129987 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR133000 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.27 NNC(=O)OCc1ccccc1 HR133486 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 HR108993 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 HR7461 [0,1,0,0,0,1|1,0,0]=3 85 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 HR119838 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 HR133264 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.27 O=C(NO)OCC1=CC=CC=C1 HR143273 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HR138447 [0,1,0,0,0,1|1,0,0]=3 89 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 HR120291 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.125 O=C(Cl)OCC1=C(Cl)C=CC=C1 HR121970 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.130 CC(=O)OCCC1=C(C)N=CS1 HR123688 [0,1,0,0,0,1|1,1,0]=4 92 B12R1.51 CCOC(=O)CCC1=CC=CO1 HR139371 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.51 O=C(CCS)OCC1=CC=CO1 HR116879 [0,2,0,0,0,0|0,0,0]=2 94 B12R1.59 CC(=O)OCC1=CC=C(C=O)O1 HR141499 [0,2,0,0,0,0|0,0,0]=2 95 B10R1.18 CC(=O)OC1=CC=CC=C1 HR100385 [0,0,1,1,0,0|1,0,1]=4 96 B10R1.61 CC(=O)C1=C(O)C=CC=C1 HR100975 [0,0,1,1,0,0|1,0,1]=4 97 B10R1.61 CC(=O)C1=NC=CC=C1O HR105092 [0,0,1,1,0,0|2,0,0]=4 98 B10R1.113 CC(=O)C1=CC(O)=CC=C1 HR130744 [0,0,1,1,0,0|1,0,1]=4 99 B10R2.7 C1=CC2=C(CCNC2)O1 HR32649 [1,0,0,1,0,0|2,0,0]=4 100 B10R2.7 C1=CC2=C(CNCC2)O1 HR32648 [1,0,0,1,0,0|1,0,1]=4 101 B10R2.2 O=C1CC2=C(C=CS2)N1 HR102770 [0,0,0,1,1,0|1,1,0]=4 102 B10R2.2 O=C1CC2=CC=CN2C1 HR146305 [0,0,0,1,1,0|1,0,0]=3 103 B12R2.24 O=C1CC2=CC=CC=C2CN1 HR114130 [0,0,0,1,0,1|2,0,0]=4 104 B12R2.24 O=C1CC2=CC=CC=C2CO1 HR133602 [0,0,0,1,0,1|1,0,0]=3 105 B12R2.24 O=C1CCC2=C(C=CC=N2)C1 HR106245 [0,0,0,1,0,1|2,0,0]=4 106 B12R2.24 O=C1CCC2=C(C=NC=C2)C1 HR121076 [0,0,0,1,0,1|2,0,0]=4 107 B12R2.24 O=C1CCC2=CC=CC=C2C1 HR124845 [0,0,0,1,0,1|2,0,0]=4 108 B12R2.6 CC1COC(C2=CC=CO2)O1 HR107540 [0,0,0,1,0,1|0,0,2]=4 109 B12R2.2383 C1=COC(COCC2CO2)=C1 HR131639 [0,0,0,1,0,1|0,0,2]=4 110 B8R1.7 CC(=O)C1=CC=CN1 HR125135 [0,0,0,0,2,0|1,0,0]=3 111 B8R1.7 CC(=O)C1=CC=CO1 HR129914 [0,0,0,0,2,0|0,0,0]=2 112 B8R1.7 CC(=O)C1=CC=CS1 HR125914 [0,0,0,0,2,0|0,1,0]=3 113 B8R1.7 CC(=O)C1=CC=NO1 HR112153 [0,0,0,0,2,0|1,0,0]=3 114 B8R1.7 CC(=O)C1=CN=CN1 HR107179 [0,0,0,0,2,0|2,0,0]=4 115 B8R1.7 CC(=O)C1=CNC=C1 HR132755 [0,0,0,0,2,0|2,0,0]=4 116 B8R1.7 CC(=O)C1=CSC=C1 HR5220 [0,0,0,0,2,0|2,0,0]=4 117 B8R1.7 CC(=O)C1=CSC=N1 HR106019 [0,0,0,0,2,0|2,0,0]=4 118 B8R1.7 CC(=O)C1=NC=CN1 HR107500 [0,0,0,0,2,0|2,0,0]=4 119 B8R1.7 CC(=O)C1=NC=CO1 HR121608 [0,0,0,0,2,0|1,0,0]=3 120 B8R1.7 CC(=O)C1=NC=CS1 HR125652 [0,0,0,0,2,0|1,1,0]=4 121 B8R1.7 CC(=O)N1C=CC=N1 HR104365 [0,0,0,0,2,0|2,0,0]=4 122 B8R1.7 CC(C)C1=CC=CO1 HR128818 [0,0,0,0,2,0|1,0,1]=4 123 B8R1.7 CC(O)C1=CC=CO1 HR110830 [0,0,0,0,2,0|0,0,2]=4 124 B8R1.7 NC(=S)C1=CC=CO1 HR109484 [0,0,0,0,2,0|1,1,0]=4 125 B8R1.7 O=C(Cl)C1=CC=CS1 HR127265 [0,0,0,0,2,0|1,1,0]=4 126 B8R1.7 O=C(Cl)c1ccco1 HR144597 [0,0,0,0,2,0|1,0,0]=3 127 B8R1.7 O=C(O)C1=CC=CN1 HR15698 [0,0,0,0,2,0|2,0,0]=4 128 B8R1.7 O=C(O)C1=CC=CO1 HR127796 [0,0,0,0,2,0|1,0,0]=3 129 B8R1.7 O=C(O)C1=CC=CS1 HR126442 [0,0,0,0,2,0|1,1,0]=4 130 B8R1.7 O=C(O)C1=CC=NO1 HR8643 [0,0,0,0,2,0|2,0,0]=4 131 B8R1.7 O=C(O)C1=CN=CO1 HR102036 [0,0,0,0,2,0|2,0,0]=4 132 B8R1.7 O=C([O-])C1=CC=CS1 HR120572 [0,0,0,0,2,0|1,1,0]=4 133 B8R1.7 O=C([O-])c1cccs1 HR114958 [0,0,0,0,2,0|1,1,0]=4 134 B10R1.17 CCOCC1=CC=CC=C1 HR135944 [1,0,0,0,0,1|1,0,1]=4 135 B10R1.17 O=CCCc1ccccc1 ECCQ01303 [1,0,0,0,0,1|2,0,0]=4 136 B10R1.17 O=COCC1=CC=CC=C1 HR141973 [1,0,0,0,0,1|1,0,0]=3 137 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HR146298 [0,0,0,0,0,2|2,0,0]=4 138 B12R1.252 CC(=O)NCCC1=CC=CC=C1 HR109426 [0,0,0,0,0,2|2,0,0]=4 139 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HR125515 [0,0,0,0,0,2|1,0,0]=3 140 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 HR140519 [0,0,0,0,0,2|2,0,0]=4 141 B12R1.252 O=C(O)COCC1=CC=CC=C1 HR136190 [0,0,0,0,0,2|2,0,0]=4