0 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br B113800 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Cl C185561 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)N A151247 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O H102245 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br B123564 [0,0,0,0,0,0|2,0,2]=4 5 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Cl C110279 [0,0,0,0,0,0|2,0,2]=4 6 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N A136404 [0,0,0,0,0,0|2,0,2]=4 7 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)N2 Q160822 [0,0,0,0,0,0|1,0,2]=3 8 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [0,0,0,0,0,0|0,0,2]=2 9 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [0,0,0,0,0,0|0,0,2]=2 10 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [0,0,0,0,0,0|0,0,2]=2 11 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [0,0,0,0,0,0|0,0,2]=2 12 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [0,0,0,0,0,0|0,0,2]=2 13 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Br B123033 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl C132475 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 Q102233 [0,0,0,0,0,0|2,0,1]=3 16 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br B122362 [0,0,0,0,0,0|2,0,2]=4 17 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl C304963 [0,0,0,0,0,0|2,0,2]=4 18 B12R2.24 C1=CC=C2C=C(C=CC2=C1)I I171169 [0,0,0,0,0,0|2,0,2]=4 19 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N113461 [0,0,0,0,0,0|2,0,2]=4 20 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N140874 [0,0,0,0,0,0|2,0,2]=4 21 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108421 [0,0,0,0,0,0|1,0,3]=4 22 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108422 [0,0,0,0,0,0|1,0,3]=4 23 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108423 [0,0,0,0,0,0|1,0,3]=4 24 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N421336 [0,0,0,0,0,0|1,0,3]=4 25 B12R2.24 C1=CC=C2C=C(C=CC2=C1)S N101787 [0,0,0,0,0,0|1,1,2]=4 26 B12R2.24 C1=CC=C2C=C(C=CC2=C1)[NH3+] N493715 [0,0,0,0,0,0|2,0,2]=4 27 B12R2.24 C1=CC=C2C=NC(=CC2=C1)Cl C182458 [0,0,0,0,0,0|3,0,1]=4 28 B12R2.24 C1=CC=C2C=NC(=CC2=C1)N I135729 [0,0,0,0,0,0|3,0,1]=4 29 B12R2.24 C1C(=O)NC2=C(O1)C=CC=N2 H137095 [0,0,0,0,0,0|3,0,0]=3 30 B12R2.24 C1C(=O)NC2=C(O1)C=CN=C2 H165504 [0,0,0,0,0,0|3,0,0]=3 31 B12R2.24 C1C(=O)NC2=C(O1)N=CC=C2 H167101 [0,0,0,0,0,0|3,0,0]=3 32 B12R2.24 C1C(=O)NC2=CC=CC=C2O1 H157370 [0,0,0,0,0,0|2,0,0]=2 33 B12R2.24 C1C(=O)NC2=CC=CC=C2S1 H157316 [0,0,0,0,0,0|2,0,0]=2 34 B12R2.24 C1C2=CC=CC=C2COC1=O I138843 [0,0,0,0,0,0|2,0,0]=2 35 B12R2.24 C1CC(=O)NC2=CC=CC=C21 D336131 [0,0,0,0,0,0|1,0,0]=1 36 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D107582 [0,0,0,0,0,0|0,0,0]=0 37 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D420880 [0,0,0,0,0,0|0,0,0]=0 38 B12R2.24 C1CC2=CC=CC=C2CC1=O T107488 [0,0,0,0,0,0|1,0,0]=1 39 B12R2.24 C1CN2C=CC=CC2=NC1=O D138970 [0,0,0,0,0,0|2,0,0]=2 40 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M104862 [0,0,0,0,0,0|2,0,2]=4 41 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M119488 [0,0,0,0,0,0|2,0,2]=4 42 B12R2.24 CC1=CC2=CC=CC=C2C=N1 M165965 [0,0,0,0,0,0|3,0,1]=4 43 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M103608 [0,0,0,0,0,0|3,0,1]=4 44 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q107985 [0,0,0,0,0,0|2,0,2]=4 45 B12R2.24 CC1=NC2=CC=CC=C2N=C1 M123517 [0,0,0,0,0,0|3,0,1]=4 46 B12R2.24 CC1CCC2=CC=CC=C2N1 T162315 [0,0,0,0,0,0|2,0,1]=3 47 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110656 [1,0,0,0,0,0|1,0,2]=4 48 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110657 [1,0,0,0,0,0|1,0,2]=4 49 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110658 [1,0,0,0,0,0|1,0,2]=4 50 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q134192 [1,0,0,0,0,0|1,0,2]=4 51 B11R2.20 C1=CC=C2C(=C1)C=CC=[NH+]2 Q160825 [1,0,0,0,0,0|1,0,2]=4 52 B11R2.20 C1=CC=C2C(=C1)C=NC=N2 Q107983 [1,0,0,0,0,0|2,0,1]=4 53 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 Q160826 [1,0,0,0,0,0|2,0,1]=4 54 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110796 [1,0,0,0,0,0|1,0,2]=4 55 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110798 [1,0,0,0,0,0|1,0,2]=4 56 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110799 [1,0,0,0,0,0|1,0,2]=4 57 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110801 [1,0,0,0,0,0|1,0,2]=4 58 B11R2.20 C1=CC=C2C=CC=CC2=C1 N114091 [1,0,0,0,0,0|1,0,2]=4 59 B11R2.20 C1=CC=C2C=CC=CC2=C1 N119547 [1,0,0,0,0,0|1,0,2]=4 60 B11R2.20 C1=CC=C2C=CC=CC2=C1 N128175 [1,0,0,0,0,0|1,0,2]=4 61 B11R2.20 C1=CC=C2C=CC=CC2=C1 N141241 [1,0,0,0,0,0|1,0,2]=4 62 B11R2.20 C1=CC=C2C=NC=CC2=C1 I105573 [1,0,0,0,0,0|2,0,1]=4 63 B11R2.20 C1=CC=C2C=[C-]C=CC2=C1 N140702 [1,0,0,0,0,0|1,0,2]=4 64 B11R2.20 C1=CC=C2[C-]=CC=CC2=C1 N140777 [1,0,0,0,0,0|1,0,2]=4 65 B11R2.20 C1C=CCC2=CC=CC=C21 D155281 [1,0,0,0,0,0|1,0,1]=3 66 B11R2.20 C1CC2=C(C=CC=N2)OC1 D186135 [1,0,0,0,0,0|1,0,1]=3 67 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [1,0,0,0,0,0|1,0,0]=2 68 B11R2.20 C1CC2=CC=CC=C2NC1 T107484 [1,0,0,0,0,0|1,0,1]=3 69 B11R2.20 C1CCC2=C(C1)C=CC=N2 T108003 [1,0,0,0,0,0|2,0,1]=4 70 B11R2.20 C1CCC2=C(C1)C=CN=C2 T162590 [1,0,0,0,0,0|2,0,1]=4 71 B11R2.20 C1CCC2=CC=CC=C2C1 T100976 [1,0,0,0,0,0|1,0,1]=3 72 B11R2.20 C1CCC2=CC=CC=C2C1 T100978 [1,0,0,0,0,0|1,0,1]=3 73 B11R2.20 C1CCC2=CC=CC=C2C1 T100979 [1,0,0,0,0,0|1,0,1]=3 74 B11R2.20 C1CCC2=CC=CC=C2C1 T100981 [1,0,0,0,0,0|1,0,1]=3 75 B11R2.20 C1CCC2=CC=CC=C2C1 T119673 [1,0,0,0,0,0|1,0,1]=3 76 B11R2.20 C1CN=CC2=CC=CC=C21 D169557 [1,0,0,0,0,0|2,0,0]=3 77 B11R2.20 C1CNC2=CC=CC=C2N1 T138703 [1,0,0,0,0,0|2,0,1]=4 78 B11R2.20 C1CNCC2=C1C=CC=N2 T176221 [1,0,0,0,0,0|3,0,0]=4 79 B11R2.20 C1CNCC2=CC=CC=C21 T139420 [1,0,0,0,0,0|2,0,0]=3 80 B11R2.20 C1COC2=C(N1)C=CC=N2 D179428 [1,0,0,0,0,0|2,0,1]=4 81 B11R2.20 C1COC2=C(O1)C=CC=N2 D166866 [1,0,0,0,0,0|2,0,1]=4 82 B11R2.20 C1COC2=CC=CC=C2N1 H304033 [1,0,0,0,0,0|1,0,1]=3 83 B11R2.20 C1COC2=CC=CC=C2O1 B103171 [1,0,0,0,0,0|1,0,1]=3 84 B11R2.20 C1COCC2=CC=CC=C21 I122961 [1,0,0,0,0,0|2,0,0]=3 85 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O N113473 [0,1,0,0,0,0|1,0,2]=4 86 B13R2.32 C1CC2=CC=CC=C2C(=O)C1Br B405325 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.32 CC1CCC2=CC=CC=C2C1=O M167630 [0,1,0,0,0,0|2,0,1]=4 88 B13R2.32 CN1C(=O)COC2=CC=CC=C21 M168648 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C=O Q123866 [0,1,0,0,0,0|2,0,1]=4 90 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)C=O Q106458 [0,1,0,0,0,0|1,0,2]=4 91 B13R2.57 C1=CC=C2C(=C1)N=CC(=N2)C=O Q337874 [0,1,0,0,0,0|2,0,1]=4 92 B13R2.57 C1=CC=C2C=C(C=CC2=C1)C=O N106388 [0,1,0,0,0,0|1,0,2]=4 93 B13R2.57 C1C(=CC2=CC=CC=C2O1)C#N H337706 [0,1,0,0,0,0|3,0,0]=4 94 B13R2.57 C1C(OC2=CC=CC=C2O1)CBr B470628 [0,1,0,0,0,0|2,0,1]=4 95 B13R2.57 C1C(OC2=CC=CC=C2O1)CN A170391 [0,1,0,0,0,0|2,0,1]=4 96 B13R2.57 C1C(OC2=CC=CC=C2O1)CO H136282 [0,1,0,0,0,0|1,0,2]=4 97 B13R2.155 C1=CC(=CC2=C1C=CC(=O)N2)Cl C182968 [0,1,0,0,0,0|1,0,2]=4 98 B13R2.155 C1=CC(=CC2=C1C=CC(=O)N2)O H177239 [0,1,0,0,0,0|1,0,2]=4 99 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109351 [0,1,0,0,0,0|0,0,2]=3 100 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109352 [0,1,0,0,0,0|0,0,2]=3 101 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H426983 [0,1,0,0,0,0|0,0,2]=3 102 B13R2.155 C1=CC2=C(C=C1Br)NC(=O)C=N2 B186755 [0,1,0,0,0,0|2,0,1]=4 103 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Br B119100 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl C186487 [0,1,0,0,0,0|2,0,0]=3 105 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)N A187938 [0,1,0,0,0,0|2,0,0]=3 106 B13R2.155 C1C(=O)NC2=C(O1)N=CC(=C2)Br B189519 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)Br B181550 [0,1,0,0,0,0|1,0,0]=2 108 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)N A483794 [0,1,0,0,0,0|1,0,0]=2 109 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O H108011 [0,1,0,0,0,0|1,0,0]=2 110 B13R2.155 C1CC2=C(CC1=O)C=C(C=C2)F F338110 [0,1,0,0,0,0|1,0,0]=2 111 B13R2.155 CC1=CC2=C(C=C1)C=CC(=O)O2 M158663 [0,1,0,0,0,0|0,0,2]=3 112 B13R2.155 CC1=CC2=C(N=C1)OCC(=O)N2 M166381 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.155 CN1CCC2=C(C1)C=C(C=C2)Br B588454 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.162 C1=CC2=C(C(=C1)Cl)NC(=O)C=C2 C168922 [0,1,0,0,0,0|1,0,2]=4 115 B13R2.162 C1=CC2=C(C(=C1)O)NC(=O)C=C2 H137479 [0,1,0,0,0,0|1,0,2]=4 116 B13R2.162 CC1=CC=CN2C1=NC(=O)CC2 M158367 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)O Q102244 [0,1,0,0,0,0|1,0,2]=4 118 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)O2)O H107607 [0,1,0,0,0,0|0,0,2]=3 119 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=O)N2 B152549 [0,1,0,0,0,0|2,0,1]=4 120 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=O)O2 B123043 [0,1,0,0,0,0|1,0,1]=3 121 B13R2.328 C1=CC=C2C(=C1)C(=O)OC(=O)N2 I157688 [0,1,0,0,0,0|2,0,1]=4 122 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O I193440 [0,1,0,0,0,0|2,0,1]=4 123 B13R2.328 C1C2=CC=CC=C2C(=O)OC1=O H134415 [0,1,0,0,0,0|2,0,1]=4 124 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 M589535 [0,1,0,0,0,0|1,0,2]=4 125 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 M158110 [0,1,0,0,0,0|1,0,2]=4 126 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 M404694 [0,1,0,0,0,0|0,0,2]=3 127 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 M194507 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)N2)Br B467471 [0,1,0,0,0,0|1,0,2]=4 129 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)N A151702 [0,1,0,0,0,0|0,0,2]=3 130 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)O H305006 [0,1,0,0,0,0|0,0,2]=3 131 B13R2.369 C1=CC=C2C(=C1)NC(=O)C(=O)N2 D123522 [0,1,0,0,0,0|2,0,1]=4 132 B13R2.3683 C1=CC(=CC2=CNC(=O)C=C21)Cl C586499 [0,1,0,0,0,0|2,0,1]=4 133 B13R2.3683 C1=CC2=C(C=C1Cl)N=CC(=O)N2 C183094 [0,1,0,0,0,0|2,0,1]=4 134 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1Br B132521 [0,1,0,0,0,0|1,0,2]=4 135 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1O Q115351 [0,1,0,0,0,0|1,0,2]=4 136 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1Br B182400 [0,1,0,0,0,0|0,0,2]=3 137 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1N A481745 [0,1,0,0,0,0|0,0,2]=3 138 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1O H156920 [0,1,0,0,0,0|0,0,2]=3 139 B13R2.3683 C1C(=O)NC2=C(O1)C=C(C=C2)Br B183669 [0,1,0,0,0,0|2,0,0]=3 140 B13R2.3683 C1C(=O)NC2=C(O1)C=C(C=C2)F F337070 [0,1,0,0,0,0|2,0,0]=3 141 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)Br B176141 [0,1,0,0,0,0|1,0,0]=2 142 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)Cl C182436 [0,1,0,0,0,0|1,0,0]=2 143 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)N A182929 [0,1,0,0,0,0|1,0,0]=2 144 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)O D155349 [0,1,0,0,0,0|1,0,0]=2 145 B13R2.3683 C1CC(=O)NC2=C1C=C(C=N2)Br B181051 [0,1,0,0,0,0|2,0,0]=3 146 B13R2.3683 C1CC(=O)OC2=C1C=C(C=C2)Br B302764 [0,1,0,0,0,0|0,0,0]=1 147 B13R2.3683 C1CC(=O)OC2=C1C=C(C=C2)I I586909 [0,1,0,0,0,0|0,0,0]=1 148 B13R2.3683 C1CC2=C(CC1=O)C=CC(=C2)Br B113210 [0,1,0,0,0,0|1,0,0]=2 149 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 M169411 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 M102159 [0,1,0,0,0,0|0,0,2]=3 151 B13R2.3683 CN1CCC2=C(C1)C=CC(=C2)Br B589613 [0,1,0,0,0,0|3,0,0]=4 152 B13R2.5179 C1=CC2=C(C=CC(=O)N2)C(=C1)O H192683 [0,1,0,0,0,0|1,0,2]=4 153 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O H183551 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.17 C1=CC=C(C(=C1)C=CC=O)Br E302788 [0,0,1,0,0,0|1,0,2]=4 155 B11R1.17 C1=CC=C(C(=C1)C=CC=O)O H157419 [0,0,1,0,0,0|0,0,2]=3 156 B11R1.17 C1=CC=C(C(=C1)CCC#N)Cl C194792 [0,0,1,0,0,0|2,0,1]=4 157 B11R1.17 C1=CC=C(C(=C1)CCCO)Br B193732 [0,0,1,0,0,0|1,0,2]=4 158 B11R1.17 C1=CC=C(C(=C1)CN=C=O)F F166980 [0,0,1,0,0,0|2,0,1]=4 159 B11R1.17 C1=CC=C(C(=C1)O)OCCO H473338 [0,0,1,0,0,0|1,0,2]=4 160 B11R1.17 CC1=CC=CC=C1OCC=C A354200 [0,0,1,0,0,0|3,0,0]=4 161 B11R1.17 CCCCC1=CC=CC=C1N B151822 [0,0,1,0,0,0|2,0,1]=4 162 B11R1.40 C1=CC=C(C=C1)CC(=O)NN P160484 [0,0,1,0,0,0|3,0,0]=4 163 B11R1.40 C1=CC=C(C=C1)NC(=O)CCl C469406 [0,0,1,0,0,0|2,0,0]=3 164 B11R1.40 C1=CC=C(C=C1)NC(=O)NN P160543 [0,0,1,0,0,0|3,0,0]=4 165 B11R1.40 C1=CC=C(C=C1)OC(=O)CBr P102337 [0,0,1,0,0,0|1,0,0]=2 166 B11R1.40 C=CC(=O)NC1=CC=CC=C1 N159041 [0,0,1,0,0,0|1,0,2]=4 167 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P122863 [0,0,1,0,0,0|0,0,2]=3 168 B11R1.40 CC(=CC1=CC=CC=C1)CO M158501 [0,0,1,0,0,0|3,0,0]=4 169 B11R1.40 CC(CO)OC1=CC=CC=C1 P160292 [0,0,1,0,0,0|2,0,1]=4 170 B11R1.40 CCC(=O)CC1=CC=CC=C1 P160130 [0,0,1,0,0,0|1,0,0]=2 171 B11R1.40 CCC(=O)NC1=CC=CC=C1 N136678 [0,0,1,0,0,0|1,0,0]=2 172 B11R1.40 CCC(=O)OC1=CC=CC=C1 P304243 [0,0,1,0,0,0|0,0,0]=1 173 B11R1.40 CCC(CC1=CC=CC=C1)N P344719 [0,0,1,0,0,0|2,0,1]=4 174 B11R1.40 CCC(CC1=CC=CC=C1)O E352402 [0,0,1,0,0,0|1,0,2]=4 175 B11R1.40 CNC(=O)OC1=CC=CC=C1 P587924 [0,0,1,0,0,0|1,0,0]=2 176 B11R1.40 CNC(=S)NC1=CC=CC=C1 M158401 [0,0,1,0,0,0|2,1,0]=4 177 B11R1.40 COC(=O)CC1=CC=CC=C1 M106997 [0,0,1,0,0,0|2,0,0]=3 178 B11R1.40 COC(=O)CC1=CC=CC=N1 M131920 [0,0,1,0,0,0|3,0,0]=4 179 B11R1.40 COC(=O)CC1=CC=NC=C1 M349198 [0,0,1,0,0,0|3,0,0]=4 180 B11R1.40 COC(=O)NC1=CC=CC=C1 N189095 [0,0,1,0,0,0|2,0,0]=3 181 B11R1.40 COC(=O)OC1=CC=CC=C1 M302459 [0,0,1,0,0,0|1,0,0]=2 182 B11R1.41 CCC1=CC=CC=C1N=C=S E140565 [0,0,1,0,0,0|1,1,1]=4 183 B11R1.41 CCOC1=CC=CC=C1CN E134140 [0,0,1,0,0,0|2,0,1]=4 184 B11R1.41 CCOC1=CC=CC=C1OC E354173 [0,0,1,0,0,0|2,0,1]=4 185 B11R1.41 COC1=CC=CC=C1CC=C A468148 [0,0,1,0,0,0|3,0,0]=4 186 B11R1.41 COC1=CC=CC=C1N=C=O I134824 [0,0,1,0,0,0|2,0,1]=4 187 B11R1.86 C1=CC=C(C(=C1)CC(=O)Cl)Cl C153892 [0,0,1,0,0,0|3,0,0]=4 188 B11R1.86 C1=CC=C(C(=C1)CC(=O)N)Cl C483633 [0,0,1,0,0,0|3,0,0]=4 189 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br B113791 [0,0,1,0,0,0|3,0,0]=4 190 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Cl C103598 [0,0,1,0,0,0|3,0,0]=4 191 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)F F107762 [0,0,1,0,0,0|3,0,0]=4 192 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I I103139 [0,0,1,0,0,0|3,0,0]=4 193 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)N A169654 [0,0,1,0,0,0|3,0,0]=4 194 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H102037 [0,0,1,0,0,0|3,0,0]=4 195 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H425093 [0,0,1,0,0,0|3,0,0]=4 196 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H501351 [0,0,1,0,0,0|3,0,0]=4 197 B11R1.86 C1=CC=C(C(=C1)NC(=O)N)Br B152705 [0,0,1,0,0,0|3,0,0]=4 198 B11R1.86 C1=CC=C(C(=C1)OC(=O)Cl)Cl C345491 [0,0,1,0,0,0|2,0,0]=3 199 B11R1.86 CC(=O)CC1=CC=CC=C1Br B132331 [0,0,1,0,0,0|2,0,0]=3 200 B11R1.86 CC(=O)CC1=CC=CC=C1F W135424 [0,0,1,0,0,0|2,0,0]=3 201 B11R1.86 CC(=O)NC1=C(C=CC=N1)O N169499 [0,0,1,0,0,0|3,0,0]=4 202 B11R1.86 CC(=O)NC1=CC=CC=C1Br B152714 [0,0,1,0,0,0|2,0,0]=3 203 B11R1.86 CC(=O)NC1=CC=CC=C1Cl C153728 [0,0,1,0,0,0|2,0,0]=3 204 B11R1.86 CC(=O)NC1=CC=CC=C1F F156682 [0,0,1,0,0,0|2,0,0]=3 205 B11R1.86 CC(=O)NC1=CC=CC=C1I I464440 [0,0,1,0,0,0|2,0,0]=3 206 B11R1.86 CC(=O)NC1=CC=CC=C1N A135471 [0,0,1,0,0,0|2,0,0]=3 207 B11R1.86 CC(=O)NC1=CC=CC=C1O A107221 [0,0,1,0,0,0|2,0,0]=3 208 B11R1.86 CC(=O)OC1=CC=CC=C1Cl C153423 [0,0,1,0,0,0|1,0,0]=2 209 B11R1.86 CC(=O)OC1=CC=CC=C1I I169597 [0,0,1,0,0,0|1,0,0]=2 210 B11R1.86 CC(C)OC1=CC=CC=C1Br B135885 [0,0,1,0,0,0|2,0,1]=4 211 B11R1.86 CC(C)OC1=CC=CC=C1O I119954 [0,0,1,0,0,0|2,0,1]=4 212 B11R1.86 CC1=C(N=CC=C1)NC(=O)C A186388 [0,0,1,0,0,0|2,0,0]=3 213 B11R1.86 CC1=CC=CC=C1CC(=O)O T110067 [0,0,1,0,0,0|2,0,0]=3 214 B11R1.86 CC1=CC=CC=C1NC(=O)C O160015 [0,0,1,0,0,0|1,0,0]=2 215 B11R1.86 CC1=CC=CC=C1NC(=O)N O159960 [0,0,1,0,0,0|2,0,0]=3 216 B11R1.86 CC1=CC=CC=C1NC(=S)N O159980 [0,0,1,0,0,0|2,1,0]=4 217 B11R1.91 B(CCC1=CC=CC=C1)(O)O P119631 [0,0,1,0,0,0|1,0,1]=3 218 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O P160635 [0,0,1,0,0,0|1,0,2]=4 219 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O T138424 [0,0,1,0,0,0|1,0,2]=4 220 B11R1.91 C1=CC(=CN=C1)CCC(=O)O P136290 [0,0,1,0,0,0|1,0,0]=2 221 B11R1.91 C1=CC=C(C=C1)C#CC(=O)N P589991 [0,0,1,0,0,0|1,0,2]=4 222 B11R1.91 C1=CC=C(C=C1)C#CC(=O)O P133964 [0,0,1,0,0,0|0,0,2]=3 223 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl C106841 [0,0,1,0,0,0|1,0,2]=4 224 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl T347639 [0,0,1,0,0,0|1,0,2]=4 225 B11R1.91 C1=CC=C(C=C1)C=CC(=O)N C101731 [0,0,1,0,0,0|1,0,2]=4 226 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108494 [0,0,1,0,0,0|0,0,2]=3 227 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108495 [0,0,1,0,0,0|0,0,2]=3 228 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108496 [0,0,1,0,0,0|0,0,2]=3 229 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108497 [0,0,1,0,0,0|0,0,2]=3 230 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O P478163 [0,0,1,0,0,0|0,0,2]=3 231 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O T421496 [0,0,1,0,0,0|0,0,2]=3 232 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C167677 [0,0,1,0,0,0|0,0,3]=4 233 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C170870 [0,0,1,0,0,0|0,0,3]=4 234 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [0,0,1,0,0,0|1,0,0]=2 235 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [0,0,1,0,0,0|1,0,0]=2 236 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [0,0,1,0,0,0|0,0,0]=1 237 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [0,0,1,0,0,0|0,0,0]=1 238 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [0,0,1,0,0,0|0,0,0]=1 239 B11R1.91 C1=CC=C(C=C1)CN=C(N)N B588431 [0,0,1,0,0,0|3,0,0]=4 240 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [0,0,1,0,0,0|2,0,0]=3 241 B11R1.91 C1=CC=C(C=C1)CNC(=S)N B152324 [0,0,1,0,0,0|2,1,0]=4 242 B11R1.91 C1=CC=C(C=C1)COC(=O)Cl B105737 [0,0,1,0,0,0|2,0,0]=3 243 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [0,0,1,0,0,0|2,0,0]=3 244 B11R1.91 C1=CC=C(C=C1)CSC(=N)N B105227 [0,0,1,0,0,0|3,0,0]=4 245 B11R1.91 C1=CC=C(C=C1)NCC(=O)N A357212 [0,0,1,0,0,0|2,0,0]=3 246 B11R1.91 C1=CC=C(C=C1)NCC(=O)O P111407 [0,0,1,0,0,0|1,0,0]=2 247 B11R1.91 C1=CC=C(C=C1)NCC(=O)[O-] N133268 [0,0,1,0,0,0|1,0,1]=3 248 B11R1.91 C1=CC=C(C=C1)NNC(=O)N P160542 [0,0,1,0,0,0|3,0,0]=4 249 B11R1.91 C1=CC=C(C=C1)OCC(=N)N B301361 [0,0,1,0,0,0|3,0,0]=4 250 B11R1.91 C1=CC=C(C=C1)OCC(=O)Cl P160117 [0,0,1,0,0,0|2,0,0]=3 251 B11R1.91 C1=CC=C(C=C1)OCC(=O)N P300417 [0,0,1,0,0,0|2,0,0]=3 252 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107024 [0,0,1,0,0,0|1,0,0]=2 253 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107025 [0,0,1,0,0,0|1,0,0]=2 254 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] S563686 [0,0,1,0,0,0|1,0,1]=3 255 B11R1.91 C1=CC=C(C=C1)SCC(=O)Cl B301376 [0,0,1,0,0,0|2,0,0]=3 256 B11R1.91 C1=CC=C(C=C1)SCC(=O)O P101811 [0,0,1,0,0,0|1,0,0]=2 257 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O E189192 [0,0,1,0,0,0|1,0,2]=4 258 B11R1.91 C1=CC=NC(=C1)CCC(=O)O P167476 [0,0,1,0,0,0|1,0,0]=2 259 B11R1.91 C1=CN=CC=C1C=CC(=O)O P160631 [0,0,1,0,0,0|1,0,2]=4 260 B11R1.91 C1=CN=CC=C1C=CC(=O)O T189221 [0,0,1,0,0,0|1,0,2]=4 261 B11R1.91 C1=CN=CC=C1CCC(=O)O P171257 [0,0,1,0,0,0|1,0,0]=2 262 B11R1.91 C1=CN=CC=C1SCC(=O)O P109703 [0,0,1,0,0,0|2,0,0]=3 263 B11R1.91 CC(=C)COC1=CC=CC=C1 M420042 [0,0,1,0,0,0|3,0,0]=4 264 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P160127 [0,0,1,0,0,0|1,0,2]=4 265 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [0,0,1,0,0,0|1,0,2]=4 266 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [0,0,1,0,0,0|1,0,2]=4 267 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [0,0,1,0,0,0|1,0,2]=4 268 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [0,0,1,0,0,0|1,0,0]=2 269 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [0,0,1,0,0,0|2,0,0]=3 270 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [0,0,1,0,0,0|2,0,0]=3 271 B11R1.91 CC(=O)NNC1=CC=CC=C1 A100226 [0,0,1,0,0,0|3,0,0]=4 272 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [0,0,1,0,0,0|2,0,0]=3 273 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [0,0,1,0,0,0|2,0,0]=3 274 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [0,0,1,0,0,0|2,0,1]=4 275 B11R1.91 CC(CCC1=CC=CC=C1)O I168710 [0,0,1,0,0,0|1,0,1]=3 276 B11R1.91 CC(CCC1=CC=CC=C1)O I170111 [0,0,1,0,0,0|1,0,1]=3 277 B11R1.91 CC(CCC1=CC=CC=C1)O P160159 [0,0,1,0,0,0|1,0,1]=3 278 B11R1.91 CC(COC1=CC=CC=C1)O B299831 [0,0,1,0,0,0|2,0,1]=4 279 B11R1.91 CC(COC1=CC=CC=C1)O P135297 [0,0,1,0,0,0|2,0,1]=4 280 B11R1.91 CN(C)CCC1=CC=CC=C1 N302096 [0,0,1,0,0,0|3,0,0]=4 281 B11R2.1 B1(C2=CC=CC=C2CO1)O H340686 [0,0,0,0,1,0|2,0,1]=4 282 B11R2.1 C1=CC2=C(NN=C2C=C1)Br B589034 [0,0,0,0,1,0|3,0,0]=4 283 B11R2.1 C1=CC2=C(NN=C2C=C1)Cl C169319 [0,0,0,0,1,0|3,0,0]=4 284 B11R2.1 C1=CC2=C(NNC2=O)N=C1 H192577 [0,0,0,0,1,0|3,0,0]=4 285 B11R2.1 C1=CC2=NNC(=O)N2C=C1 T161636 [0,0,0,0,1,0|3,0,0]=4 286 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br B194097 [0,0,0,0,1,0|2,0,1]=4 287 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br B189193 [0,0,0,0,1,0|2,0,1]=4 288 B11R2.1 C1=CC=C2C(=C1)C(=NN2)N A134463 [0,0,0,0,1,0|3,0,0]=4 289 B11R2.1 C1=CC=C2C(=C1)C(=NO2)Cl C181887 [0,0,0,0,1,0|3,0,0]=4 290 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl C134023 [0,0,0,0,1,0|3,0,0]=4 291 B11R2.1 C1=CC=C2C(=C1)C(=O)NN2 H134010 [0,0,0,0,1,0|2,0,0]=3 292 B11R2.1 C1=CC=C2C(=C1)C(=O)NO2 B138497 [0,0,0,0,1,0|2,0,0]=3 293 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B107479 [0,0,0,0,1,0|2,0,0]=3 294 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B406425 [0,0,0,0,1,0|2,0,0]=3 295 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B598939 [0,0,0,0,1,0|2,0,0]=3 296 B11R2.1 C1C(=O)C2=CC=CC=C2O1 B119781 [0,0,0,0,1,0|1,0,0]=2 297 B11R2.1 C1C2=C(C=CC=N2)C(=O)N1 D589008 [0,0,0,0,1,0|2,0,0]=3 298 B11R2.1 C1C2=C(C=NC=C2)C(=O)N1 H176399 [0,0,0,0,1,0|2,0,0]=3 299 B11R2.1 C1C2=CC=CC=C2C(=O)N1 I170551 [0,0,0,0,1,0|1,0,0]=2 300 B11R2.1 C1C2=CC=CC=C2C(=O)O1 P104476 [0,0,0,0,1,0|1,0,0]=2 301 B11R2.1 C1CC(=O)C2=CC=CC=C21 I106436 [0,0,0,0,1,0|0,0,0]=1 302 B11R2.1 C1CC(=O)C2=CC=CC=C21 I426156 [0,0,0,0,1,0|0,0,0]=1 303 B11R2.1 C1CC2=C(C1O)C=CC=N2 D586296 [0,0,0,0,1,0|1,0,2]=4 304 B11R2.1 C1CC2=CC=CC=C2C1N A114505 [0,0,0,0,1,0|1,0,1]=3 305 B11R2.1 C1CC2=CC=CC=C2C1N D186125 [0,0,0,0,1,0|1,0,1]=3 306 B11R2.1 C1CC2=CC=CC=C2C1N S192732 [0,0,0,0,1,0|1,0,1]=3 307 B11R2.1 C1CC2=CC=CC=C2C1N S469445 [0,0,0,0,1,0|1,0,1]=3 308 B11R2.1 C1CC2=CC=CC=C2C1O H157335 [0,0,0,0,1,0|0,0,2]=3 309 B11R2.1 C1CC2=CC=CC=C2C1O H419517 [0,0,0,0,1,0|0,0,2]=3 310 B11R2.1 C1CC2=CC=CC=C2C1O H592262 [0,0,0,0,1,0|0,0,2]=3 311 B11R2.1 CC1=CNC2=CC=CC=C12 M426157 [0,0,0,0,1,0|2,0,1]=4 312 B11R2.1 CC1=CNC2=CC=CC=C12 S104736 [0,0,0,0,1,0|2,0,1]=4 313 B11R2.1 CC1=CSC2=CC=CC=C12 M101861 [0,0,0,0,1,0|2,0,1]=4 314 B11R2.1 CC1CCC2=CC=CC=C12 M304586 [0,0,0,0,1,0|1,0,1]=3 315 B11R2.1 CC1CNC2=CC=CC=C12 M589123 [0,0,0,0,1,0|2,0,1]=4 316 B11R2.10 B1(OC2=CC=CC=C2O1)Br B153037 [0,0,0,0,1,0|3,0,0]=4 317 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 D185536 [0,0,0,0,1,0|2,0,0]=3 318 B11R2.10 C1=CC=C2C(=C1)C=C(N2)I I588481 [0,0,0,0,1,0|2,0,1]=4 319 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br B589404 [0,0,0,0,1,0|1,0,1]=3 320 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br B185084 [0,0,0,0,1,0|1,1,1]=4 321 B11R2.10 C1=CC=C2C(=C1)C=C(S2)I I169943 [0,0,0,0,1,0|1,1,1]=4 322 B11R2.10 C1=CC=C2C(=C1)N=C(O2)Cl C153565 [0,0,0,0,1,0|2,0,0]=3 323 B11R2.10 C1=CC=C2C(=C1)N=C(O2)N B137603 [0,0,0,0,1,0|2,0,0]=3 324 B11R2.10 C1=CC=C2C(=C1)N=C(S2)Br B152752 [0,0,0,0,1,0|2,1,0]=4 325 B11R2.10 C1=CC=C2C(=C1)N=C(S2)Cl C135221 [0,0,0,0,1,0|2,1,0]=4 326 B11R2.10 C1=CC=C2C(=C1)N=C(S2)I I179460 [0,0,0,0,1,0|2,1,0]=4 327 B11R2.10 C1=CC=C2C(=C1)N=C(S2)N A110691 [0,0,0,0,1,0|2,1,0]=4 328 B11R2.10 C1=CC=C2C(=C1)N=C(S2)N A151210 [0,0,0,0,1,0|2,1,0]=4 329 B11R2.10 C1=CC=C2C(=C1)N=C(S2)[S-] S161093 [0,0,0,0,1,0|1,2,0]=4 330 B11R2.10 C1=CC=C2C(=C1)N=C(S2)[S-] Z162998 [0,0,0,0,1,0|1,2,0]=4 331 B11R2.10 C1=CC=C2C(=C1)NC(=N2)Br B136188 [0,0,0,0,1,0|3,0,0]=4 332 B11R2.10 C1=CC=C2C(=C1)NC(=N2)Cl C137611 [0,0,0,0,1,0|3,0,0]=4 333 B11R2.10 C1=CC=C2C(=C1)NC(=N2)N A104845 [0,0,0,0,1,0|3,0,0]=4 334 B11R2.10 C1=CC=C2C(=C1)NC(=O)N2 H135655 [0,0,0,0,1,0|2,0,0]=3 335 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 B111321 [0,0,0,0,1,0|1,0,0]=2 336 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 H157277 [0,0,0,0,1,0|1,1,0]=3 337 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 M111104 [0,0,0,0,1,0|2,1,0]=4 338 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 M111103 [0,0,0,0,1,0|1,1,0]=3 339 B11R2.10 C1=CC=C2C(=C1)NC(=S)S2 M104864 [0,0,0,0,1,0|1,2,0]=4 340 B11R2.10 C1=CC=C2C(=C1)SC(=S)S2 B491295 [0,0,0,0,1,0|1,2,0]=4 341 B11R2.10 C1=CN=CC2=C1NC(=O)N2 H194827 [0,0,0,0,1,0|3,0,0]=4 342 B11R2.10 C1C(=O)CC2=CC=CC=C21 I111208 [0,0,0,0,1,0|1,0,0]=2 343 B11R2.10 C1C(CC2=CC=CC=C21)O H157338 [0,0,0,0,1,0|1,0,2]=4 344 B11R2.10 C1C2=C(NC1=O)N=CC=C2 H176810 [0,0,0,0,1,0|2,0,0]=3 345 B11R2.10 C1C2=CC=CC=C2C=C1Br B124235 [0,0,0,0,1,0|2,0,0]=3 346 B11R2.10 C1C2=CC=CC=C2NC1=O O100775 [0,0,0,0,1,0|1,0,0]=2 347 B11R2.10 C1C2=CC=CC=C2OC1=O C103572 [0,0,0,0,1,0|0,0,0]=1 348 B11R2.10 C1C2=CC=CC=C2SC1=O B353634 [0,0,0,0,1,0|0,1,0]=2 349 B11R2.10 CC1=CC2=CC=CC=C2N1 M100903 [0,0,0,0,1,0|2,0,1]=4 350 B11R2.10 CC1=CC2=CC=CC=C2O1 M135139 [0,0,0,0,1,0|1,0,1]=3 351 B11R2.10 CC1=CC2=CC=CC=C2S1 M158052 [0,0,0,0,1,0|1,1,1]=4 352 B11R2.10 CC1=NC2=C(O1)C=CC=N2 M187240 [0,0,0,0,1,0|3,0,0]=4 353 B11R2.10 CC1=NC2=CC=CC=C2N1 M110232 [0,0,0,0,1,0|3,0,0]=4 354 B11R2.10 CC1=NC2=CC=CC=C2O1 M158477 [0,0,0,0,1,0|2,0,0]=3 355 B11R2.10 CC1=NC2=CC=CC=C2S1 M101883 [0,0,0,0,1,0|2,1,0]=4 356 B11R2.10 CC1CC2=CC=CC=C2N1 M103558 [0,0,0,0,1,0|2,0,1]=4 357 B11R2.10 CC1CC2=CC=CC=C2O1 D137493 [0,0,0,0,1,0|1,0,1]=3 358 B13R2.163 C1CC2=CC=CC=C2NC(=O)C1 D589134 [0,0,0,0,0,1|1,0,0]=2 359 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [1,0,1,0,0,0|1,0,1]=4 360 B10R1.17 C1=CC=C(C=C1)C#CC=O P138572 [1,0,1,0,0,0|0,0,2]=4 361 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [1,0,1,0,0,0|0,0,2]=4 362 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [1,0,1,0,0,0|0,0,2]=4 363 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [1,0,1,0,0,0|0,0,2]=4 364 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [1,0,1,0,0,0|0,0,2]=4 365 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [1,0,1,0,0,0|0,0,2]=4 366 B10R1.17 C1=CC=C(C=C1)C=CCBr B163067 [1,0,1,0,0,0|2,0,0]=4 367 B10R1.17 C1=CC=C(C=C1)C=CCCl C102165 [1,0,1,0,0,0|2,0,0]=4 368 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [1,0,1,0,0,0|2,0,0]=4 369 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [1,0,1,0,0,0|2,0,0]=4 370 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [1,0,1,0,0,0|2,0,0]=4 371 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [1,0,1,0,0,0|1,0,1]=4 372 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [1,0,1,0,0,0|0,0,0]=2 373 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [1,0,1,0,0,0|1,0,1]=4 374 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [1,0,1,0,0,0|1,0,1]=4 375 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [1,0,1,0,0,0|1,0,1]=4 376 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [1,0,1,0,0,0|1,0,1]=4 377 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [1,0,1,0,0,0|1,0,1]=4 378 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [1,0,1,0,0,0|0,0,1]=3 379 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [1,0,1,0,0,0|2,0,0]=4 380 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [1,0,1,0,0,0|2,0,0]=4 381 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [1,0,1,0,0,0|1,0,1]=4 382 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [1,0,1,0,0,0|1,0,0]=3 383 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [1,0,1,0,0,0|1,0,0]=3 384 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [1,0,1,0,0,0|1,0,1]=4 385 B10R1.17 C1=CC=C(C=C1)OCCBr B100876 [1,0,1,0,0,0|1,0,1]=4 386 B10R1.17 C1=CC=C(C=C1)OCCCl B135225 [1,0,1,0,0,0|1,0,1]=4 387 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [1,0,1,0,0,0|1,0,1]=4 388 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [1,0,1,0,0,0|1,0,1]=4 389 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [1,0,1,0,0,0|1,0,1]=4 390 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [1,0,1,0,0,0|1,0,1]=4 391 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [1,0,1,0,0,0|1,0,1]=4 392 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [1,0,1,0,0,0|1,0,1]=4 393 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [1,0,1,0,0,0|1,0,1]=4 394 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [1,0,1,0,0,0|1,0,1]=4 395 B10R1.17 C1=CN=CC=C1CCCO P160633 [1,0,1,0,0,0|1,0,1]=4 396 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [1,0,1,0,0,0|1,0,0]=3 397 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [1,0,1,0,0,0|2,0,0]=4 398 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [1,0,1,0,0,0|2,0,0]=4 399 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [1,0,1,0,0,0|2,0,0]=4 400 B10R1.17 C=COCC1=CC=CC=C1 B178307 [1,0,1,0,0,0|2,0,0]=4 401 B10R1.17 CCC#CC1=CC=CC=C1 P107031 [1,0,1,0,0,0|1,0,1]=4 402 B10R1.17 CCCCC1=CC=CC=C1 B100020 [1,0,1,0,0,0|1,0,1]=4 403 B10R1.17 CCCCC1=CC=CC=C1 B100021 [1,0,1,0,0,0|1,0,1]=4 404 B10R1.17 CCCCC1=CC=CC=C1 B128171 [1,0,1,0,0,0|1,0,1]=4 405 B10R1.17 CCCOC1=CC=CC=C1 P405762 [1,0,1,0,0,0|0,0,1]=3 406 B10R1.17 CCNCC1=CC=CC=C1 E113368 [1,0,1,0,0,0|2,0,0]=4 407 B10R1.17 CCOCC1=CC=CC=C1 E193820 [1,0,1,0,0,0|2,0,0]=4 408 B10R1.17 CNCCC1=CC=CC=C1 N159074 [1,0,1,0,0,0|2,0,0]=4 409 B10R1.17 COCCC1=CC=CC=C1 P160567 [1,0,1,0,0,0|2,0,0]=4 410 B10R1.4 C1=CC=C(C(=C1)CCBr)Cl C167804 [1,0,1,0,0,0|2,0,0]=4 411 B10R1.4 C1=CC=C(C(=C1)CCBr)F F469846 [1,0,1,0,0,0|2,0,0]=4 412 B10R1.4 C1=CC=C(C(=C1)CCN)Br B122727 [1,0,1,0,0,0|2,0,0]=4 413 B10R1.4 C1=CC=C(C(=C1)CCN)Cl C153971 [1,0,1,0,0,0|2,0,0]=4 414 B10R1.4 C1=CC=C(C(=C1)CCN)F F292844 [1,0,1,0,0,0|2,0,0]=4 415 B10R1.4 C1=CC=C(C(=C1)CCN)F W135956 [1,0,1,0,0,0|2,0,0]=4 416 B10R1.4 C1=CC=C(C(=C1)CCN)N A189849 [1,0,1,0,0,0|2,0,0]=4 417 B10R1.4 C1=CC=C(C(=C1)CCN)O A191948 [1,0,1,0,0,0|1,0,0]=3 418 B10R1.4 C1=CC=C(C(=C1)CCO)Br B102011 [1,0,1,0,0,0|1,0,1]=4 419 B10R1.4 C1=CC=C(C(=C1)CCO)Cl C135333 [1,0,1,0,0,0|1,0,1]=4 420 B10R1.4 C1=CC=C(C(=C1)CCO)F F134481 [1,0,1,0,0,0|1,0,1]=4 421 B10R1.4 C1=CC=C(C(=C1)CCO)N A151124 [1,0,1,0,0,0|1,0,1]=4 422 B10R1.4 C1=CC=C(C(=C1)CCO)O H139263 [1,0,1,0,0,0|0,0,1]=3 423 B10R1.4 C=CCC1=CC=CC=C1Br A467291 [1,0,1,0,0,0|1,0,1]=4 424 B10R1.4 C=CCC1=CC=CC=C1N A151777 [1,0,1,0,0,0|1,0,1]=4 425 B10R1.4 C=CCC1=CC=CC=C1O A151090 [1,0,1,0,0,0|0,0,1]=3 426 B10R1.4 CC1=CC=CC=C1CC=C A167621 [1,0,1,0,0,0|1,0,1]=4 427 B10R1.4 CC1=CC=CC=C1CCBr B587606 [1,0,1,0,0,0|2,0,0]=4 428 B10R1.4 CC1=CC=CC=C1CCO O159910 [1,0,1,0,0,0|1,0,1]=4 429 B10R1.4 CC1=CC=CC=C1CNC B301431 [1,0,1,0,0,0|2,0,0]=4 430 B10R1.4 CC1=CC=CC=C1N=C=O T113759 [1,0,1,0,0,0|1,0,1]=4 431 B10R1.4 CC1=CC=CC=C1NC=O M158338 [1,0,1,0,0,0|1,0,0]=3 432 B10R1.4 CCCC1=CC=CC=C1C P160377 [1,0,1,0,0,0|1,0,1]=4 433 B10R1.4 CCCC1=CC=CC=C1N P160189 [1,0,1,0,0,0|1,0,1]=4 434 B10R1.4 CCCC1=CC=CC=C1O P160564 [1,0,1,0,0,0|0,0,1]=3 435 B10R1.4 CCNC1=CC=CC=C1C N158979 [1,0,1,0,0,0|1,0,1]=4 436 B10R1.4 CCOC1=CC=CC=C1Cl C405475 [1,0,1,0,0,0|1,0,1]=4 437 B10R1.4 CCOC1=CC=CC=C1N E100407 [1,0,1,0,0,0|1,0,1]=4 438 B10R1.4 CCOC1=CC=CC=C1O E156224 [1,0,1,0,0,0|1,0,1]=4 439 B10R1.4 CNCC1=CC=CC=C1O H156922 [1,0,1,0,0,0|1,0,1]=4 440 B10R1.20 C#CC1=CC=CC=C1C=O E193142 [1,0,1,0,0,0|0,0,2]=4 441 B10R1.20 C1=CC=C(C(=C1)C=O)C#N C107958 [1,0,1,0,0,0|1,0,1]=4 442 B10R1.20 C1=CC=C(C(=C1)C=O)C=O P108632 [1,0,1,0,0,0|1,0,1]=4 443 B10R1.20 C1=CC=C(C(=C1)C=O)C=O P108633 [1,0,1,0,0,0|1,0,1]=4 444 B10R1.20 C1=CC=C(C(=C1)C=O)C=O P128626 [1,0,1,0,0,0|1,0,1]=4 445 B10R1.20 CCC1=CC=CC=C1C#N E472414 [1,0,1,0,0,0|1,0,1]=4 446 B10R1.20 CCC1=CC=CC=C1C=C D123847 [1,0,1,0,0,0|1,0,0]=3 447 B10R1.20 CCC1=CC=CC=C1C=C D123848 [1,0,1,0,0,0|1,0,0]=3 448 B10R1.20 CCC1=CC=CC=C1C=C D123850 [1,0,1,0,0,0|1,0,0]=3 449 B10R1.20 CCC1=CC=CC=C1C=C D123852 [1,0,1,0,0,0|1,0,0]=3 450 B10R1.20 CCC1=CC=CC=C1C=C D123854 [1,0,1,0,0,0|1,0,0]=3 451 B10R1.20 CCC1=CC=CC=C1C=C D123856 [1,0,1,0,0,0|1,0,0]=3 452 B10R1.20 CCC1=CC=CC=C1C=C D123857 [1,0,1,0,0,0|1,0,0]=3 453 B10R1.20 CCC1=CC=CC=C1C=C D492376 [1,0,1,0,0,0|1,0,0]=3 454 B10R1.20 CCC1=CC=CC=C1C=O E486931 [1,0,1,0,0,0|0,0,0]=2 455 B10R1.20 CCC1=CC=CC=C1CC D108906 [1,0,1,0,0,0|1,0,1]=4 456 B10R1.20 CCC1=CC=CC=C1CC D130062 [1,0,1,0,0,0|1,0,1]=4 457 B10R1.20 CCC1=CC=CC=C1CC D299535 [1,0,1,0,0,0|1,0,1]=4 458 B10R1.20 CCC1=CC=CC=C1CO E337904 [1,0,1,0,0,0|0,0,2]=4 459 B10R1.20 CCC1=CC=CC=C1NN E124743 [1,0,1,0,0,0|2,0,0]=4 460 B10R1.20 CCC1=CC=CC=C1NN E156300 [1,0,1,0,0,0|2,0,0]=4 461 B10R1.20 CCC1=CC=CC=C1OC E156216 [1,0,1,0,0,0|0,0,1]=3 462 B10R1.20 CNC1=CC=CC=C1C=O M195023 [1,0,1,0,0,0|1,0,0]=3 463 B10R1.20 CNC1=CC=CC=C1OC M468551 [1,0,1,0,0,0|1,0,1]=4 464 B10R1.20 COC1=CC=CC=C1C=O M106414 [1,0,1,0,0,0|1,0,0]=3 465 B10R1.20 COC1=CC=CC=C1CN M113482 [1,0,1,0,0,0|1,0,1]=4 466 B10R1.20 COC1=CC=CC=C1CO M104885 [1,0,1,0,0,0|1,0,1]=4 467 B10R1.20 COC1=CC=CC=C1OC V108546 [1,0,1,0,0,0|1,0,1]=4 468 B10R1.20 COC1=CC=CC=C1OC V108547 [1,0,1,0,0,0|1,0,1]=4 469 B10R1.20 COC1=CC=CC=C1OC V108548 [1,0,1,0,0,0|1,0,1]=4 470 B10R1.20 COC1=CC=CC=C1SC M101845 [1,0,1,0,0,0|1,0,1]=4 471 B10R1.20 CSC1=CC=CC=C1C=O M157862 [1,0,1,0,0,0|1,0,0]=3 472 B10R1.18 C1=CC=C(C=C1)CC(=O)Cl P109202 [1,0,1,0,0,0|2,0,0]=4 473 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [1,0,1,0,0,0|2,0,0]=4 474 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [1,0,1,0,0,0|2,0,0]=4 475 B10R1.18 C1=CC=C(C=C1)CC(=O)O P346939 [1,0,1,0,0,0|2,0,0]=4 476 B10R1.18 C1=CC=C(C=C1)NC(=O)N P105589 [1,0,1,0,0,0|2,0,0]=4 477 B10R1.18 C1=CC=C(C=C1)OC(=O)Cl P106536 [1,0,1,0,0,0|1,0,0]=3 478 B10R1.18 C1=CC=C(C=C1)OC(=O)N P300418 [1,0,1,0,0,0|1,0,0]=3 479 B10R1.18 C1=CC=C(C=C1)OC(=S)Cl P119482 [1,0,1,0,0,0|1,1,0]=4 480 B10R1.18 CC(=CC1=CC=CC=C1)C M158507 [1,0,1,0,0,0|2,0,0]=4 481 B10R1.18 CC(=O)CC1=CC=NC=C1 P134516 [1,0,1,0,0,0|2,0,0]=4 482 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [1,0,1,0,0,0|2,0,0]=4 483 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 A151480 [1,0,1,0,0,0|2,0,0]=4 484 B10R1.18 CC(=O)NC1=CC=CC=C1 A103954 [1,0,1,0,0,0|1,0,0]=3 485 B10R1.18 CC(=O)NC1=CC=CC=C1 A103955 [1,0,1,0,0,0|1,0,0]=3 486 B10R1.18 CC(=O)NC1=CC=CC=C1 A103956 [1,0,1,0,0,0|1,0,0]=3 487 B10R1.18 CC(=O)NC1=CC=CC=C1 A103957 [1,0,1,0,0,0|1,0,0]=3 488 B10R1.18 CC(=O)NC1=CC=CC=C1 A119548 [1,0,1,0,0,0|1,0,0]=3 489 B10R1.18 CC(=O)NC1=CC=CC=N1 A151788 [1,0,1,0,0,0|2,0,0]=4 490 B10R1.18 CC(=O)NC1=CC=NC=C1 A151787 [1,0,1,0,0,0|2,0,0]=4 491 B10R1.18 CC(=O)NC1=CN=CC=C1 A151789 [1,0,1,0,0,0|2,0,0]=4 492 B10R1.18 CC(=O)OC1=CC=CC=C1 P108579 [1,0,1,0,0,0|0,0,0]=2 493 B10R1.18 CC(=O)OC1=CC=CC=C1 P342578 [1,0,1,0,0,0|0,0,0]=2 494 B10R1.18 CC(=O)OC1=CN=CC=C1 A151785 [1,0,1,0,0,0|1,0,0]=3 495 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [1,0,1,0,0,0|0,1,0]=3 496 B10R1.18 CC(=S)NC1=CC=CC=C1 T161816 [1,0,1,0,0,0|1,1,0]=4 497 B10R1.18 CC(C)OC1=CC=CC=C1 I183364 [1,0,1,0,0,0|1,0,1]=4 498 B10R1.18 CS(=O)CC1=CC=CC=C1 M334699 [1,0,1,0,0,0|2,0,0]=4 499 B12R1.121 COC1=CC=CC=C1C=CC=O M414411 [0,1,1,0,0,0|0,0,2]=4 500 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)O H113425 [0,1,1,0,0,0|0,0,2]=4 501 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br B123075 [0,1,1,0,0,0|1,0,0]=3 502 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl C138339 [0,1,1,0,0,0|1,0,0]=3 503 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F W133245 [0,1,1,0,0,0|1,0,0]=3 504 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)I I469914 [0,1,1,0,0,0|1,0,0]=3 505 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O H121639 [0,1,1,0,0,0|0,0,0]=2 506 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl C115720 [0,1,1,0,0,0|2,0,0]=4 507 B12R1.125 CC1=CC=CC=C1CCC(=O)O M168695 [0,1,1,0,0,0|1,0,0]=3 508 B12R1.125 CC1=CC=CC=C1OCC(=O)O M168158 [0,1,1,0,0,0|2,0,0]=4 509 B12R1.267 C1=CC=C(C(=C1)CCN=C=O)F F300288 [0,1,1,0,0,0|1,0,1]=4 510 B12R1.32 C1=CC=C(C=C1)NC(=O)CC#N C153723 [0,1,1,0,0,0|1,0,1]=4 511 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103494 [0,1,1,0,0,0|1,0,0]=3 512 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103495 [0,1,1,0,0,0|1,0,0]=3 513 B12R1.32 CCOC(=O)CC1=CC=CC=N1 E138597 [0,1,1,0,0,0|2,0,0]=4 514 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E100811 [0,1,1,0,0,0|2,0,0]=4 515 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E113740 [0,1,1,0,0,0|2,0,0]=4 516 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC M588693 [0,1,1,0,0,0|2,0,0]=4 517 B12R1.34 CN(C1=CC=CC=C1)C(=O)CBr B169324 [0,1,1,0,0,0|2,0,0]=4 518 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M158124 [0,1,1,0,0,0|2,0,0]=4 519 B12R1.34 COC(=O)C(C1=CC=CC=C1)Br M158188 [0,1,1,0,0,0|2,0,0]=4 520 B12R1.34 COC(=O)C(C1=CC=CC=C1)N H191065 [0,1,1,0,0,0|2,0,0]=4 521 B12R1.34 COC(=O)C(C1=CC=CC=C1)N I132644 [0,1,1,0,0,0|2,0,0]=4 522 B12R1.34 COC(=O)C(C1=CC=CC=C1)N P106203 [0,1,1,0,0,0|2,0,0]=4 523 B12R1.34 COC(=O)C(C1=CC=CC=C1)N P106204 [0,1,1,0,0,0|2,0,0]=4 524 B12R1.34 COC(=O)C(C1=CC=CC=C1)O M107081 [0,1,1,0,0,0|2,0,0]=4 525 B12R1.34 COC(=O)C(C1=CC=CC=C1)O M107988 [0,1,1,0,0,0|2,0,0]=4 526 B12R1.34 COC(=O)C(C1=CC=CC=C1)O M107989 [0,1,1,0,0,0|2,0,0]=4 527 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N159436 [0,1,1,0,0,0|1,0,1]=4 528 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N491276 [0,1,1,0,0,0|1,0,1]=4 529 B12R1.43 CC(=C)C(=O)OC1=CC=CC=C1 P122856 [0,1,1,0,0,0|0,0,1]=3 530 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 M158345 [0,1,1,0,0,0|1,0,0]=3 531 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 N168191 [0,1,1,0,0,0|2,0,0]=4 532 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F298761 [0,1,1,0,0,0|2,0,0]=4 533 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)CN A151553 [0,1,1,0,0,0|2,0,0]=4 534 B12R1.75 CC(=O)NC1=CC=CC=C1OC O159959 [0,1,1,0,0,0|2,0,0]=4 535 B12R1.75 CC(=O)NC1=CC=CC=C1SC N412244 [0,1,1,0,0,0|2,0,0]=4 536 B12R1.75 CC(=O)OC1=CC=CC=C1C#N A151646 [0,1,1,0,0,0|1,0,1]=4 537 B12R1.75 CC(=O)OC1=CC=CC=C1OC M158132 [0,1,1,0,0,0|1,0,0]=3 538 B12R1.75 COC1=CC=CC=C1CC(=O)O M115485 [0,1,1,0,0,0|2,0,0]=4 539 B12R1.169 CCOC1=CC=CC=C1OCC D155734 [0,1,1,0,0,0|1,0,1]=4 540 B12R1.1112 CCC1=CC=CC(=C1N=C=O)C B301391 [0,1,1,0,0,0|1,0,1]=4 541 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl D154893 [0,1,1,0,0,0|2,0,0]=4 542 B12R1.127 CC(=O)OC1=C(N=CC(=C1)Br)I B165626 [0,1,1,0,0,0|2,0,0]=4 543 B12R1.127 CC1=C(C=C(C=C1)Br)NC(=O)C A179775 [0,1,1,0,0,0|1,0,0]=3 544 B12R1.127 CC1=C(C=C(C=C1)N)NC(=O)C A151426 [0,1,1,0,0,0|1,0,0]=3 545 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)Cl D154499 [0,1,1,0,0,0|2,0,0]=4 546 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O D122900 [0,1,1,0,0,0|2,0,0]=4 547 B12R1.127 CC1=CC(=C(C=C1)O)NC(=O)C H157096 [0,1,1,0,0,0|2,0,0]=4 548 B12R1.1009 CC1=C(C(=CC=C1)C)CC(=O)O D195951 [0,1,1,0,0,0|2,0,0]=4 549 B12R1.1009 CC1=C(C(=CC=C1)C)NC(=O)C D168675 [0,1,1,0,0,0|1,0,0]=3 550 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl C169076 [0,1,1,0,0,0|2,0,0]=4 551 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr B104541 [0,1,1,0,0,0|2,0,0]=4 552 B12R1.27 C1=CC=C(C=C1)COC(=O)CCl B152737 [0,1,1,0,0,0|2,0,0]=4 553 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G100449 [0,1,1,0,0,0|2,0,0]=4 554 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G105480 [0,1,1,0,0,0|2,0,0]=4 555 B12R1.27 C1=CC=C(C=C1)COC(=O)CO B135438 [0,1,1,0,0,0|1,0,0]=3 556 B12R1.27 C1=CC=C(C=C1)COC(=O)NN B106008 [0,1,1,0,0,0|2,0,0]=4 557 B12R1.27 C1=CC=C(C=C1)COC(=O)NO N159551 [0,1,1,0,0,0|1,0,0]=3 558 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B122888 [0,1,1,0,0,0|2,0,0]=4 559 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B151902 [0,1,1,0,0,0|2,0,0]=4 560 B12R1.27 CCC(=O)OCC1=CC=CC=C1 B151869 [0,1,1,0,0,0|2,0,0]=4 561 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M158709 [0,1,1,0,0,0|0,0,2]=4 562 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [0,1,1,0,0,0|0,0,2]=4 563 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [0,1,1,0,0,0|0,0,2]=4 564 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [0,1,1,0,0,0|0,0,2]=4 565 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [0,1,1,0,0,0|0,0,0]=2 566 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [0,1,1,0,0,0|0,0,0]=2 567 B12R1.27 COC(=O)COC1=CC=CC=C1 M138460 [0,1,1,0,0,0|1,0,0]=3 568 B12R1.27 COC(=O)CSC1=CC=CC=C1 M101824 [0,1,1,0,0,0|1,0,0]=3 569 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N A151148 [0,1,1,0,0,0|1,0,0]=3 570 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N P113810 [0,1,1,0,0,0|0,0,0]=2 571 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N R160918 [0,1,1,0,0,0|0,0,0]=2 572 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N S193296 [0,1,1,0,0,0|0,0,0]=2 573 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O H157337 [0,1,1,0,0,0|0,0,0]=2 574 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 B103859 [0,1,1,0,0,0|1,0,1]=4 575 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C D303544 [0,1,1,0,0,0|2,0,0]=4 576 B12R1.107 CC(C1=CC=CC=C1)OC(=O)C P195955 [0,1,1,0,0,0|2,0,0]=4 577 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 P133853 [0,1,1,0,0,0|0,0,0]=2 578 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M192082 [0,1,1,0,0,0|1,0,0]=3 579 B12R1.891 C1=CC=C(C=C1)CCP(=O)(O)O P133714 [0,1,1,0,0,0|1,0,0]=3 580 B12R1.891 C1=CN=CC=C1CCS(=O)(=O)O P160784 [0,1,1,0,0,0|2,0,0]=4 581 B12R1.891 CC(C)(CCC1=CC=CC=C1)O M158675 [0,1,1,0,0,0|1,0,1]=4 582 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 C170570 [1,1,0,0,0,0|0,0,2]=4 583 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T102999 [1,1,0,0,0,0|1,0,1]=4 584 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113718 [1,1,0,0,0,0|1,0,1]=4 585 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113722 [1,1,0,0,0,0|1,0,1]=4 586 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T401554 [1,1,0,0,0,0|1,0,1]=4 587 B12R2.1081 C1CC(C2=CC=CC=C2C1)O R160835 [1,1,0,0,0,0|1,0,1]=4 588 B12R2.1081 C1CC(C2=CC=CC=C2C1)O S161373 [1,1,0,0,0,0|1,0,1]=4 589 B12R2.1081 C1CC(C2=CC=CC=C2C1)O T161537 [1,1,0,0,0,0|1,0,1]=4 590 B12R2.1081 C1CC2=C(C(=CC=C2)O)NC1 T194472 [1,1,0,0,0,0|1,0,1]=4 591 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 B172149 [1,1,0,0,0,0|1,0,1]=4 592 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 T106838 [1,1,0,0,0,0|1,0,1]=4 593 B12R2.1081 C1CCC2=C(C1)C=CC=C2N T103086 [1,1,0,0,0,0|1,0,1]=4 594 B12R2.1081 C1CCC2=C(C1)C=CC=C2O T162494 [1,1,0,0,0,0|1,0,1]=4 595 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 T172481 [1,1,0,0,0,0|2,0,0]=4 596 B12R2.1081 C1CNCC2=C1C(=CC=C2)Br B178246 [1,1,0,0,0,0|2,0,0]=4 597 B12R2.1081 C1CNCC2=C1C(=CC=C2)Br B195156 [1,1,0,0,0,0|2,0,0]=4 598 B12R2.1081 C1CNCC2=C1C=CC=C2Br B179747 [1,1,0,0,0,0|2,0,0]=4 599 B12R2.1081 C1CNCC2=C1C=CC=C2Br B194913 [1,1,0,0,0,0|2,0,0]=4 600 B12R2.1081 C1COC(=O)C2=CC=CC=C21 I157658 [1,1,0,0,0,0|2,0,0]=4 601 B12R2.1081 C1COC2=C(C=CC=C2O1)N D174599 [1,1,0,0,0,0|1,0,1]=4 602 B12R2.1081 C1COC2=C(O1)C=CC=C2Br B185367 [1,1,0,0,0,0|1,0,1]=4 603 B12R2.1081 C1COC2=CC=CC=C2C1=O C115094 [1,1,0,0,0,0|0,0,2]=4 604 B12R2.1081 CC1C2=CC=CC=C2CCN1 M193575 [1,1,0,0,0,0|2,0,0]=4 605 B12R2.1081 CC1CNCC2=CC=CC=C12 P165923 [1,1,0,0,0,0|2,0,0]=4 606 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O I106884 [0,1,0,0,1,0|1,0,1]=4 607 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O B152938 [0,1,0,0,1,0|1,0,1]=4 608 B12R2.1 C1CC(=NO)C2=CC=CC=C21 I169661 [0,1,0,0,1,0|0,0,1]=3 609 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104664 [0,1,0,0,1,0|1,0,1]=4 610 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104665 [0,1,0,0,1,0|1,0,1]=4 611 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I426911 [0,1,0,0,1,0|1,0,1]=4 612 B12R2.18 C1C(C(C2=CC=CC=C21)N)O A115645 [0,1,0,0,1,0|1,0,1]=4 613 B12R2.18 C1C(C(C2=CC=CC=C21)N)O A117276 [0,1,0,0,1,0|1,0,1]=4 614 B12R2.18 C1C(C(C2=CC=CC=C21)N)O R160940 [0,1,0,0,1,0|1,0,1]=4 615 B12R2.18 C1C(C(C2=CC=CC=C21)N)O S161027 [0,1,0,0,1,0|1,0,1]=4 616 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br B152972 [0,1,0,0,1,0|0,0,2]=4 617 B12R2.18 C1C(C(C2=CC=CC=C21)O)O D155713 [0,1,0,0,1,0|0,0,2]=4 618 B12R2.18 C1C2=CC=CC=C2C(=O)C1=O I119930 [0,1,0,0,1,0|0,0,1]=3 619 B12R2.18 CC1CC2=CC=CC=C2C1=O M587676 [0,1,0,0,1,0|0,0,0]=2 620 B12R2.132 C1=CC2=C(C=C1Cl)C(=O)NS2 C479077 [0,1,0,0,1,0|2,0,0]=4 621 B12R2.132 C1C(=O)C2=C(O1)C=CC(=C2)Br B193858 [0,1,0,0,1,0|1,0,0]=3 622 B12R2.132 C1C2=C(C=C(C=C2)Br)C(=O)N1 B177139 [0,1,0,0,1,0|1,0,0]=3 623 B12R2.132 C1C2=C(C=C(C=C2)Br)C(=O)O1 B182454 [0,1,0,0,1,0|1,0,0]=3 624 B12R2.132 C1C2=C(C=C(C=C2)Cl)C(=O)N1 C589550 [0,1,0,0,1,0|1,0,0]=3 625 B12R2.132 C1C2=C(C=C(C=C2)F)C(=O)N1 F588786 [0,1,0,0,1,0|1,0,0]=3 626 B12R2.132 C1C2=C(C=C(C=C2)F)C(=O)O1 F578892 [0,1,0,0,1,0|1,0,0]=3 627 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 A171047 [0,1,0,0,1,0|1,0,0]=3 628 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)Br B120499 [0,1,0,0,1,0|0,0,0]=2 629 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)Cl C119759 [0,1,0,0,1,0|0,0,0]=2 630 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)F F119757 [0,1,0,0,1,0|0,0,0]=2 631 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N A479378 [0,1,0,0,1,0|0,0,0]=2 632 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)O H123324 [0,1,0,0,1,0|0,0,0]=2 633 B12R2.132 C1CC(=O)C2=C1N=CC(=C2)Br B586551 [0,1,0,0,1,0|1,0,0]=3 634 B12R2.132 CC1=CC2=C(CCC2=O)C=C1 M123330 [0,1,0,0,1,0|0,0,0]=2 635 B12R2.196 C1C2=C(C=CC=C2Br)C(=O)N1 B183819 [0,1,0,0,1,0|1,0,0]=3 636 B12R2.196 C1C2=C(C=CC=C2N)C(=O)N1 A176282 [0,1,0,0,1,0|1,0,0]=3 637 B12R2.196 C1C2=C(C=CC=C2N)C(=O)O1 A304090 [0,1,0,0,1,0|1,0,0]=3 638 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Br B119745 [0,1,0,0,1,0|0,0,0]=2 639 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F F119743 [0,1,0,0,1,0|0,0,0]=2 640 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O H123323 [0,1,0,0,1,0|0,0,0]=2 641 B12R2.196 C1CC2=C(C1O)C=CC=C2Br B167779 [0,1,0,0,1,0|0,0,2]=4 642 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 M123328 [0,1,0,0,1,0|0,0,0]=2 643 B12R2.203 C1C2=C(C(=CC=C2)Br)C(=O)N1 B175484 [0,1,0,0,1,0|1,0,0]=3 644 B12R2.203 C1C2=C(C(=CC=C2)N)C(=O)N1 A174905 [0,1,0,0,1,0|1,0,0]=3 645 B12R2.203 C1CC(=O)C2=C1C=CC=C2Br B345896 [0,1,0,0,1,0|0,0,0]=2 646 B12R2.203 C1CC(=O)C2=C1C=CC=C2Cl C183916 [0,1,0,0,1,0|0,0,0]=2 647 B12R2.203 C1CC(=O)C2=C1C=CC=C2F F185819 [0,1,0,0,1,0|0,0,0]=2 648 B12R2.203 C1CC(=O)C2=C1C=CC=C2O H139193 [0,1,0,0,1,0|0,0,0]=2 649 B12R2.612 C1=CC2=C(C=C1F)NNC2=O D412511 [0,1,0,0,1,0|2,0,0]=4 650 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)F C356422 [0,1,0,0,1,0|1,0,0]=3 651 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O H139103 [0,1,0,0,1,0|1,0,0]=3 652 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)N1 B138992 [0,1,0,0,1,0|1,0,0]=3 653 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 B133970 [0,1,0,0,1,0|1,0,0]=3 654 B12R2.612 C1C2=C(C=CC(=C2)Cl)C(=O)N1 C194866 [0,1,0,0,1,0|1,0,0]=3 655 B12R2.612 C1C2=C(C=CC(=C2)Cl)C(=O)O1 C185101 [0,1,0,0,1,0|1,0,0]=3 656 B12R2.612 C1C2=C(C=CC(=C2)F)C(=O)N1 F586841 [0,1,0,0,1,0|1,0,0]=3 657 B12R2.612 C1C2=C(C=CC(=C2)F)C(=O)O1 F186112 [0,1,0,0,1,0|1,0,0]=3 658 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 A175776 [0,1,0,0,1,0|1,0,0]=3 659 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 A479320 [0,1,0,0,1,0|1,0,0]=3 660 B12R2.612 C1C2=C(C=CC(=C2)O)C(=O)O1 H589460 [0,1,0,0,1,0|1,0,0]=3 661 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)Br B103113 [0,1,0,0,1,0|0,0,0]=2 662 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)Cl C107757 [0,1,0,0,1,0|0,0,0]=2 663 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F F123321 [0,1,0,0,1,0|0,0,0]=2 664 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I I342342 [0,1,0,0,1,0|0,0,0]=2 665 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)O H103118 [0,1,0,0,1,0|0,0,0]=2 666 B12R2.612 C1CC2=C(C1N)C=CC(=C2)Cl C489567 [0,1,0,0,1,0|1,0,1]=4 667 B12R2.612 C1CC2=C(C1N)C=CC(=C2)Cl R489596 [0,1,0,0,1,0|1,0,1]=4 668 B12R2.612 C1CC2=C(C1N)C=CC(=C2)Cl S489584 [0,1,0,0,1,0|1,0,1]=4 669 B12R2.612 C1CC2=C(C1O)C=CC(=C2)Br B588810 [0,1,0,0,1,0|0,0,2]=4 670 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M123329 [0,1,0,0,1,0|0,0,0]=2 671 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 M194482 [0,1,0,0,1,0|2,0,0]=4 672 B12R2.612 CN1CCC2=C1C=CC(=C2)Br B344088 [0,1,0,0,1,0|2,0,0]=4 673 B12R2.2028 C1=CC=C2C(=C1)C(=O)NC2=O P104066 [0,1,0,0,1,0|1,0,1]=4 674 B12R2.2028 C1=CC=C2C(=C1)C(=O)NC2=O P104067 [0,1,0,0,1,0|1,0,1]=4 675 B12R2.2028 C1=CC=C2C(=C1)C(=O)OC2=O P116466 [0,1,0,0,1,0|1,0,1]=4 676 B12R2.2028 C1=CC=C2C(=C1)C(=O)OC2=O P116468 [0,1,0,0,1,0|1,0,1]=4 677 B12R2.2028 C1=CC=C2C(=C1)C(=O)OI2Cl C589602 [0,1,0,0,1,0|2,0,0]=4 678 B12R2.2028 C1=CC=C2C(=C1)C(=O)OI2O H586982 [0,1,0,0,1,0|2,0,0]=4 679 B12R2.2028 C1=CC=C2C(=C1)C(=O)[N-]C2=O P106220 [0,1,0,0,1,0|1,0,1]=4 680 B12R2.2028 C1=CC=C2C(=C1)C(=O)[N-]C2=O P141449 [0,1,0,0,1,0|1,0,1]=4 681 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br B152853 [0,1,0,0,1,0|1,0,0]=3 682 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O H404581 [0,1,0,0,1,0|1,0,0]=3 683 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O I106831 [0,1,0,0,1,0|0,0,1]=3 684 B12R2.2028 C1C(C2=CC=CC=C2C1=O)Br B184388 [0,1,0,0,1,0|0,0,0]=2 685 B12R2.2028 CC1CC(=O)C2=CC=CC=C12 M123327 [0,1,0,0,1,0|0,0,0]=2 686 B12R2.32 C1=CC=C2C(=C1)C=C(N2)C=O I124840 [0,1,0,0,1,0|1,0,1]=4 687 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O B469207 [0,1,0,0,1,0|0,0,1]=3 688 B12R2.32 C1=CC=C2C(=C1)C=C(O2)CO B489781 [0,1,0,0,1,0|0,0,2]=4 689 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O B123079 [0,1,0,0,1,0|0,1,1]=4 690 B12R2.32 C1=CC=C2C(=C1)N=C(O2)CCl C184408 [0,1,0,0,1,0|2,0,0]=4 691 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O B134105 [0,1,0,0,1,0|1,1,0]=4 692 B12R2.32 C1C(=NO)CC2=CC=CC=C21 I468135 [0,1,0,0,1,0|1,0,1]=4 693 B12R2.32 CCC1=CC2=CC=CC=C2O1 E183611 [0,1,0,0,1,0|1,0,1]=4 694 B12R2.32 CSC1=NC2=CC=CC=C2O1 M157959 [0,1,0,0,1,0|1,1,0]=4 695 B12R2.202 C1=CC(=C2C(=C1)NC(=O)O2)N A151644 [0,1,0,0,1,0|1,0,0]=3 696 B12R2.202 C1=CC2=C(C(=C1)Br)OC(=O)N2 B590434 [0,1,0,0,1,0|1,0,0]=3 697 B12R2.202 C1=CC2=C(C(=C1)Cl)NC(=O)S2 H193163 [0,1,0,0,1,0|1,1,0]=4 698 B12R2.202 C1=CC2=C(C(=C1)Cl)OC(=S)N2 C469302 [0,1,0,0,1,0|1,1,0]=4 699 B12R2.202 C1C2=C(C(=CC=C2)Br)NC1=O B151900 [0,1,0,0,1,0|1,0,0]=3 700 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O C124835 [0,1,0,0,1,0|1,0,0]=3 701 B12R2.202 C1C2=C(C(=CC=C2)F)NC1=O F136845 [0,1,0,0,1,0|1,0,0]=3 702 B12R2.202 C1C2=C(C=CC=C2Br)NC1=O B188953 [0,1,0,0,1,0|1,0,0]=3 703 B12R2.202 C1C2=C(C=CN=C2NC1=O)F F178537 [0,1,0,0,1,0|2,0,0]=4 704 B12R2.606 C1=CC2=C(C=C1Br)N=C(O2)N B194360 [0,1,0,0,1,0|2,0,0]=4 705 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 B184266 [0,1,0,0,1,0|2,0,0]=4 706 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)O2 B152634 [0,1,0,0,1,0|1,0,0]=3 707 B12R2.606 C1=CC2=C(C=C1Br)NC(=S)O2 B300246 [0,1,0,0,1,0|1,1,0]=4 708 B12R2.606 C1=CC2=C(C=C1Br)OC(=O)N2 B168327 [0,1,0,0,1,0|1,0,0]=3 709 B12R2.606 C1=CC2=C(C=C1Br)SC(=O)N2 B152774 [0,1,0,0,1,0|1,1,0]=4 710 B12R2.606 C1=CC2=C(C=C1Cl)N=C(O2)Cl D192992 [0,1,0,0,1,0|2,0,0]=4 711 B12R2.606 C1=CC2=C(C=C1Cl)N=C(O2)N A129619 [0,1,0,0,1,0|2,0,0]=4 712 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)N2 C168381 [0,1,0,0,1,0|2,0,0]=4 713 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)O2 C129514 [0,1,0,0,1,0|1,0,0]=3 714 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)O2 C427066 [0,1,0,0,1,0|1,0,0]=3 715 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 C132320 [0,1,0,0,1,0|1,1,0]=4 716 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)O2 C140285 [0,1,0,0,1,0|1,1,0]=4 717 B12R2.606 C1=CC2=C(C=C1Cl)OC(=N2)Cl D155763 [0,1,0,0,1,0|2,0,0]=4 718 B12R2.606 C1=CC2=C(C=C1Cl)OC(=N2)N C193728 [0,1,0,0,1,0|2,0,0]=4 719 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 C153566 [0,1,0,0,1,0|1,0,0]=3 720 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 C194248 [0,1,0,0,1,0|1,1,0]=4 721 B12R2.606 C1=CC2=C(C=C1F)NC(=O)N2 F181731 [0,1,0,0,1,0|2,0,0]=4 722 B12R2.606 C1=CC2=C(C=C1F)NC(=O)O2 F167036 [0,1,0,0,1,0|1,0,0]=3 723 B12R2.606 C1=CC2=C(C=C1F)NC(=S)O2 F167035 [0,1,0,0,1,0|1,1,0]=4 724 B12R2.606 C1=CC2=C(C=C1F)OC(=N2)N F332784 [0,1,0,0,1,0|2,0,0]=4 725 B12R2.606 C1=CC2=C(C=C1F)OC(=O)N2 F169328 [0,1,0,0,1,0|1,0,0]=3 726 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 A151158 [0,1,0,0,1,0|2,0,0]=4 727 B12R2.606 C1=CC2=C(C=C1N)OC(=O)N2 A151642 [0,1,0,0,1,0|1,0,0]=3 728 B12R2.606 C1=CC2=C(C=C1O)OC(=O)S2 T129829 [0,1,0,0,1,0|1,0,0]=3 729 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br B587666 [0,1,0,0,1,0|1,0,0]=3 730 B12R2.606 C1C2=C(C=C(C=C2)Br)NC1=O B122384 [0,1,0,0,1,0|1,0,0]=3 731 B12R2.606 C1C2=C(C=C(C=C2)Cl)NC1=O C124834 [0,1,0,0,1,0|1,0,0]=3 732 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O F185236 [0,1,0,0,1,0|1,0,0]=3 733 B12R2.606 C1C2=C(C=C(C=N2)Br)NC1=O B172426 [0,1,0,0,1,0|2,0,0]=4 734 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O B121634 [0,1,0,0,1,0|1,0,0]=3 735 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O C119110 [0,1,0,0,1,0|1,0,0]=3 736 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O C615485 [0,1,0,0,1,0|1,0,0]=3 737 B12R2.606 C1C2=C(C=CC(=C2)F)NC1=O F103596 [0,1,0,0,1,0|1,0,0]=3 738 B12R2.606 C1C2=C(C=CC(=C2)N)NC1=O A124824 [0,1,0,0,1,0|1,0,0]=3 739 B12R2.606 C1C2=C(C=CC(=C2)O)NC1=O H183835 [0,1,0,0,1,0|1,0,0]=3 740 B12R2.606 C1C2=C(NC1=O)N=CC(=C2)Br B175237 [0,1,0,0,1,0|2,0,0]=4 741 B12R2.606 C1C2=C(NC1=O)N=CC(=C2)Cl C172415 [0,1,0,0,1,0|2,0,0]=4 742 B12R2.606 C1C2=C(NC1=O)N=CC(=C2)F F166328 [0,1,0,0,1,0|2,0,0]=4 743 B12R2.606 CC1=CC2=C(C=C1)NC(=O)N2 M193829 [0,1,0,0,1,0|2,0,0]=4 744 B12R2.606 CC1=CC2=C(C=C1)NC(=S)O2 M404699 [0,1,0,0,1,0|1,1,0]=4 745 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C D135194 [0,1,0,0,1,0|2,0,0]=4 746 B12R2.606 CC1=NC2=C(O1)C=C(C=C2)Br B167454 [0,1,0,0,1,0|2,0,0]=4 747 B12R2.606 CC1=NC2=C(O1)C=C(C=C2)Cl C194345 [0,1,0,0,1,0|2,0,0]=4 748 B12R2.606 CC1=NC2=C(O1)C=C(C=C2)F F469068 [0,1,0,0,1,0|2,0,0]=4 749 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)Br B185263 [0,1,0,0,1,0|2,0,0]=4 750 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)Cl M132052 [0,1,0,0,1,0|2,0,0]=4 751 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)F F156714 [0,1,0,0,1,0|2,0,0]=4 752 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O M588349 [0,1,0,0,1,0|2,0,0]=4 753 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 T407841 [0,1,0,0,1,0|1,0,0]=3 754 B14R2.5634 CC1=CC2=C(C=C1)OCC(=O)CO2 M120048 [0,1,0,0,0,1|1,0,0]=3 755 B14R2.4513 C1=CC(=C(C2=C1C=CC(=O)O2)O)O D155111 [0,2,0,0,0,0|0,0,2]=4 756 B14R2.4513 CN1C(=O)COC2=C1C=C(C=C2)N A165550 [0,2,0,0,0,0|2,0,0]=4 757 B14R2.4513 OC1=CC=C2C=CC(=O)OC2=C1O D408432 [0,2,0,0,0,0|0,0,2]=4 758 B14R2.8188 C1C(C(=O)N(C2=CC=CC=C21)O)N P167978 [0,2,0,0,0,0|1,0,0]=3 759 B14R2.29369 CN1C(=O)COC2=C1C=CC(=C2)N A167206 [0,2,0,0,0,0|2,0,0]=4 760 B14R2.134 C#CC1=CC2=C(C=C1)C=CC(=O)O2 E404402 [0,2,0,0,0,0|0,0,2]=4 761 B14R2.134 C1C(=CC2=C(O1)C=CC(=C2)Cl)C=O C573268 [0,2,0,0,0,0|2,0,0]=4 762 B14R2.134 C1C(=CC2=C(O1)C=CC(=C2)O)C=O H167050 [0,2,0,0,0,0|2,0,0]=4 763 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 M158657 [0,2,0,0,0,0|0,0,2]=4 764 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 M424548 [0,2,0,0,0,0|0,0,2]=4 765 B14R2.134 COC1=CC2=C(CCC(=O)C2)C=C1 M119742 [0,2,0,0,0,0|1,0,0]=3 766 B14R2.134 COC1=CC2=C(CCC(=O)N2)C=C1 M588211 [0,2,0,0,0,0|1,0,0]=3 767 B14R2.781 C1C(OC2=CC=CC=C2O1)C(=O)O B153003 [0,2,0,0,0,0|1,0,1]=4 768 B14R2.781 C1CC2=CC=CC=C2CC1C(=O)O T193795 [0,2,0,0,0,0|1,0,1]=4 769 B14R2.781 C1CC2=CC=CC=C2OC1C(=O)O C184937 [0,2,0,0,0,0|0,0,1]=3 770 B14R2.1128 CC1C(=CC2=CC=CC=C2O1)C=O M589537 [0,2,0,0,0,0|2,0,0]=4 771 B14R2.2332 C1=CC2=C(C=CC(=O)O2)C=C1C=O C352704 [0,2,0,0,0,0|0,0,2]=4 772 B14R2.2332 C1=CC2=C(C=CC(=O)O2)C=C1N=O N355649 [0,2,0,0,0,0|0,0,2]=4 773 B14R2.2332 COC1=CC2=C(CC(=O)CC2)C=C1 M119739 [0,2,0,0,0,0|1,0,0]=3 774 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D114065 [0,2,0,0,0,0|0,0,2]=4 775 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D118867 [0,2,0,0,0,0|0,0,2]=4 776 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D423160 [0,2,0,0,0,0|0,0,2]=4 777 B14R2.8239 CC1C(=O)NC2=C(O1)C=CC(=C2)Cl C154017 [0,2,0,0,0,0|2,0,0]=4 778 B14R2.29365 C1=CC(=O)OC2=CC(=CC(=C21)O)O D192466 [0,2,0,0,0,0|0,0,2]=4 779 B14R2.29365 C1=CC2=C(C=C1Br)OC(=O)C=C2O B486814 [0,2,0,0,0,0|0,0,2]=4 780 B14R2.29365 C1=CC2=C(C=C1F)OC(=O)C=C2O F486887 [0,2,0,0,0,0|0,0,2]=4 781 B14R2.29365 C1=CC2=C(C=C1O)OC(=O)C=C2O D404194 [0,2,0,0,0,0|0,0,2]=4 782 B14R2.29365 CC1=CC(=CC2=C1C=CC(=O)O2)O M404669 [0,2,0,0,0,0|0,0,2]=4 783 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)N A109915 [0,2,0,0,0,0|0,0,2]=4 784 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)N A109916 [0,2,0,0,0,0|0,0,2]=4 785 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)O M106701 [0,2,0,0,0,0|0,0,2]=4 786 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)O M408993 [0,2,0,0,0,0|0,0,2]=4 787 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)[O-] M347230 [0,2,0,0,0,0|0,0,2]=4 788 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O H305265 [0,2,0,0,0,0|0,0,2]=4 789 B14R2.8235 C1=CC2=C(C=C1Br)C(=CC(=O)O2)O B170240 [0,2,0,0,0,0|0,0,2]=4 790 B14R2.8235 C1=CC2=C(C=C1Cl)C(=CC(=O)O2)O C153982 [0,2,0,0,0,0|0,0,2]=4 791 B14R2.8235 C1=CC2=C(C=C1F)C(=CC(=O)O2)O F156587 [0,2,0,0,0,0|0,0,2]=4 792 B14R2.8235 CC1=CC(=O)OC2=C1C=C(C=C2)O H156924 [0,2,0,0,0,0|0,0,2]=4 793 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O H156926 [0,2,0,0,0,0|0,0,2]=4 794 B14R2.1073 COC1=CC=CC2=C1CCC(=O)C2 M119735 [0,2,0,0,0,0|1,0,0]=3 795 B12R2.315 CCC1=CC=CC2=C1NC=C2 E119113 [0,0,1,1,0,0|2,0,0]=4 796 B10R1.15 C#CC(=O)C1=CC=CC=C1 P303550 [0,0,1,0,1,0|0,0,2]=4 797 B10R1.15 C1=CC(=CN=C1)C(=O)CBr B131799 [0,0,1,0,1,0|2,0,0]=4 798 B10R1.15 C1=CC=C(C=C1)C(=O)C#N B101370 [0,0,1,0,1,0|1,0,1]=4 799 B10R1.15 C1=CC=C(C=C1)C(=O)C=O P165810 [0,0,1,0,1,0|1,0,1]=4 800 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B103328 [0,0,1,0,1,0|1,0,0]=3 801 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B131582 [0,0,1,0,1,0|1,0,0]=3 802 B10R1.15 C1=CC=C(C=C1)C(=O)CCl C475739 [0,0,1,0,1,0|1,0,0]=3 803 B10R1.15 C1=CC=C(C=C1)C(=O)CN A123237 [0,0,1,0,1,0|1,0,0]=3 804 B10R1.15 C1=CC=C(C=C1)C(=O)CO H102370 [0,0,1,0,1,0|1,0,0]=3 805 B10R1.15 C1=CC=C(C=C1)C(=O)NN B104697 [0,0,1,0,1,0|2,0,0]=4 806 B10R1.15 C1=CC=C(C=C1)C(=O)NO B152659 [0,0,1,0,1,0|2,0,0]=4 807 B10R1.15 C1=CC=C(C=C1)C(=O)N[O-] S161112 [0,0,1,0,1,0|2,0,0]=4 808 B10R1.15 C1=CC=NC(=C1)C(=O)CBr B182147 [0,0,1,0,1,0|2,0,0]=4 809 B10R1.15 C1=CN=CC=C1C(=O)CBr B193798 [0,0,1,0,1,0|2,0,0]=4 810 B10R1.15 C=CC(=O)C1=CC=CC=C1 P304587 [0,0,1,0,1,0|0,0,2]=4 811 B10R1.15 CCC(=C)C1=CC=CC=C1 B302726 [0,0,1,0,1,0|1,0,0]=3 812 B10R1.15 CCC(=O)C1=CN=CC=C1 P131764 [0,0,1,0,1,0|1,0,0]=3 813 B10R1.15 CCC(C)C1=CC=CC=C1 B100253 [0,0,1,0,1,0|1,0,1]=4 814 B10R1.15 CCC(C)C1=CC=CC=C1 B100254 [0,0,1,0,1,0|1,0,1]=4 815 B10R1.15 CCC(C)C1=CC=CC=C1 B128164 [0,0,1,0,1,0|1,0,1]=4 816 B10R1.15 CCC(C1=CC=CC=C1)N E334013 [0,0,1,0,1,0|1,0,1]=4 817 B10R1.15 CCC(C1=CC=CC=C1)N R138647 [0,0,1,0,1,0|1,0,1]=4 818 B10R1.15 CCC(C1=CC=CC=C1)N R639496 [0,0,1,0,1,0|1,0,1]=4 819 B10R1.15 CCC(C1=CC=CC=C1)N S135110 [0,0,1,0,1,0|1,0,1]=4 820 B10R1.15 CCC(C1=CC=CC=C1)O P107008 [0,0,1,0,1,0|0,0,2]=4 821 B10R1.15 CCC(C1=CC=CC=C1)O R138307 [0,0,1,0,1,0|0,0,2]=4 822 B10R1.15 CCC(C1=CC=CC=C1)O S161360 [0,0,1,0,1,0|0,0,2]=4 823 B10R1.15 CCN(C)C1=CC=CC=C1 N589658 [0,0,1,0,1,0|2,0,0]=4 824 B10R1.15 CNC(=O)C1=CC=CC=C1 N304144 [0,0,1,0,1,0|1,0,0]=3 825 B10R1.15 CNC(=O)C1=CN=CC=C1 N159805 [0,0,1,0,1,0|2,0,0]=4 826 B10R1.15 CNC(=O)C1=CN=CC=C1 N420708 [0,0,1,0,1,0|2,0,0]=4 827 B10R1.15 COC(=N)C1=CC=CC=C1 M158319 [0,0,1,0,1,0|2,0,0]=4 828 B10R1.15 COC(=O)C1=CC=CC=C1 M108588 [0,0,1,0,1,0|1,0,0]=3 829 B10R1.15 COC(=O)C1=CC=CC=C1 M108589 [0,0,1,0,1,0|1,0,0]=3 830 B10R1.15 COC(=O)C1=CC=CC=C1 M108590 [0,0,1,0,1,0|1,0,0]=3 831 B10R1.15 COC(=O)C1=CC=CC=C1 M108591 [0,0,1,0,1,0|1,0,0]=3 832 B10R1.15 COC(=O)C1=CC=CC=C1 M282394 [0,0,1,0,1,0|1,0,0]=3 833 B10R1.15 COC(=O)C1=CC=CC=N1 M157799 [0,0,1,0,1,0|2,0,0]=4 834 B10R1.15 COC(=O)C1=CC=NC=C1 M157816 [0,0,1,0,1,0|2,0,0]=4 835 B10R1.15 COC(=O)C1=CN=CC=C1 M120395 [0,0,1,0,1,0|2,0,0]=4 836 B10R1.15 COC(=O)C1=CN=CC=C1 M426993 [0,0,1,0,1,0|2,0,0]=4 837 B10R1.15 COS(=O)C1=CC=CC=C1 M158264 [0,0,1,0,1,0|2,0,0]=4 838 B10R1.15 C\C=C(\C)/C1=CC=CC=C1 C348081 [0,0,1,0,1,0|1,0,1]=4 839 B10R1.61 C1=CC=C(C(=C1)C(=O)Cl)Br B152052 [0,0,1,0,1,0|2,0,0]=4 840 B10R1.61 C1=CC=C(C(=C1)C(=O)Cl)Cl C109066 [0,0,1,0,1,0|2,0,0]=4 841 B10R1.61 C1=CC=C(C(=C1)C(=O)Cl)F F110264 [0,0,1,0,1,0|2,0,0]=4 842 B10R1.61 C1=CC=C(C(=C1)C(=O)Cl)I I157678 [0,0,1,0,1,0|2,0,0]=4 843 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br B152337 [0,0,1,0,1,0|2,0,0]=4 844 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl C136207 [0,0,1,0,1,0|2,0,0]=4 845 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F F156684 [0,0,1,0,1,0|2,0,0]=4 846 B10R1.61 C1=CC=C(C(=C1)C(=O)N)I I157615 [0,0,1,0,1,0|2,0,0]=4 847 B10R1.61 C1=CC=C(C(=C1)C(=O)N)N A107203 [0,0,1,0,1,0|2,0,0]=4 848 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S110553 [0,0,1,0,1,0|2,0,0]=4 849 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S425306 [0,0,1,0,1,0|2,0,0]=4 850 B10R1.61 C1=CC=C(C(=C1)C(=O)O)Br B108507 [0,0,1,0,1,0|2,0,0]=4 851 B10R1.61 C1=CC=C(C(=C1)C(=O)O)Cl C112608 [0,0,1,0,1,0|2,0,0]=4 852 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F F156750 [0,0,1,0,1,0|2,0,0]=4 853 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I I105094 [0,0,1,0,1,0|2,0,0]=4 854 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S104158 [0,0,1,0,1,0|2,0,0]=4 855 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S104162 [0,0,1,0,1,0|2,0,0]=4 856 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S118533 [0,0,1,0,1,0|2,0,0]=4 857 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S128322 [0,0,1,0,1,0|2,0,0]=4 858 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S425578 [0,0,1,0,1,0|2,0,0]=4 859 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S T104175 [0,0,1,0,1,0|2,0,0]=4 860 B10R1.61 C1=CC=C(C(=C1)C(=O)O)[O-] A589374 [0,0,1,0,1,0|2,0,0]=4 861 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F S184749 [0,0,1,0,1,0|2,0,0]=4 862 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O L113213 [0,0,1,0,1,0|2,0,0]=4 863 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O L113214 [0,0,1,0,1,0|2,0,0]=4 864 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O P341861 [0,0,1,0,1,0|2,0,0]=4 865 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S104176 [0,0,1,0,1,0|2,0,0]=4 866 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S104179 [0,0,1,0,1,0|2,0,0]=4 867 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S305325 [0,0,1,0,1,0|2,0,0]=4 868 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])S S161094 [0,0,1,0,1,0|2,0,0]=4 869 B10R1.61 CC(=C)C1=CC=CC=C1N I170789 [0,0,1,0,1,0|2,0,0]=4 870 B10R1.61 CC(=O)C1=C(C=CC=N1)Cl C173299 [0,0,1,0,1,0|2,0,0]=4 871 B10R1.61 CC(=O)C1=C(N=CC=C1)Br A128913 [0,0,1,0,1,0|2,0,0]=4 872 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl A138997 [0,0,1,0,1,0|2,0,0]=4 873 B10R1.61 CC(=O)C1=CC=CC=C1Br B121858 [0,0,1,0,1,0|1,0,0]=3 874 B10R1.61 CC(=O)C1=CC=CC=C1Cl C104178 [0,0,1,0,1,0|1,0,0]=3 875 B10R1.61 CC(=O)C1=CC=CC=C1F F100898 [0,0,1,0,1,0|1,0,0]=3 876 B10R1.61 CC(=O)C1=CC=CC=C1I I138485 [0,0,1,0,1,0|1,0,0]=3 877 B10R1.61 CC(=O)C1=CC=CC=C1N A107199 [0,0,1,0,1,0|1,0,0]=3 878 B10R1.61 CC(=O)C1=CC=CC=C1N A123238 [0,0,1,0,1,0|1,0,0]=3 879 B10R1.61 CC(=O)C1=CC=CC=C1O H106327 [0,0,1,0,1,0|1,0,0]=3 880 B10R1.61 CC(=O)C1=CC=CC=C1O H420837 [0,0,1,0,1,0|1,0,0]=3 881 B10R1.61 CC1=C(C=CC=N1)C(=O)O M157827 [0,0,1,0,1,0|2,0,0]=4 882 B10R1.61 CC1=C(C=CN=C1)C(=O)O M303660 [0,0,1,0,1,0|2,0,0]=4 883 B10R1.61 CC1=C(C=NC=C1)C(=O)O M169552 [0,0,1,0,1,0|2,0,0]=4 884 B10R1.61 CC1=C(N=CC=C1)C(=O)C E491191 [0,0,1,0,1,0|1,0,0]=3 885 B10R1.61 CC1=C(N=CC=C1)C(=O)O M140254 [0,0,1,0,1,0|2,0,0]=4 886 B10R1.61 CC1=CC=CC=C1C(=C)C I157557 [0,0,1,0,1,0|1,0,0]=3 887 B10R1.61 CC1=CC=CC=C1C(=O)C M106449 [0,0,1,0,1,0|0,0,0]=2 888 B10R1.61 CC1=CC=CC=C1C(=O)Cl T107411 [0,0,1,0,1,0|1,0,0]=3 889 B10R1.61 CC1=CC=CC=C1C(=O)Cl T298980 [0,0,1,0,1,0|1,0,0]=3 890 B10R1.61 CC1=CC=CC=C1C(=O)N M472492 [0,0,1,0,1,0|1,0,0]=3 891 B10R1.61 CC1=CC=CC=C1C(=O)O O420836 [0,0,1,0,1,0|1,0,0]=3 892 B10R1.61 CC1=CC=CC=C1C(=O)O T104307 [0,0,1,0,1,0|1,0,0]=3 893 B10R1.61 CC1=CC=CC=C1C(C)C O159927 [0,0,1,0,1,0|1,0,1]=4 894 B10R1.61 CC1=CC=CC=C1C(C)C O301082 [0,0,1,0,1,0|1,0,1]=4 895 B10R1.61 CC1=CC=CC=C1N(C)C D140174 [0,0,1,0,1,0|2,0,0]=4 896 B10R1.61 CC1=CC=CC=C1[N+](=O)[O-] N104633 [0,0,1,0,1,0|2,0,0]=4 897 B10R1.61 CC1=CC=CC=C1[N+](=O)[O-] N104634 [0,0,1,0,1,0|2,0,0]=4 898 B10R1.61 CC1=CC=CC=C1[N+](=O)[O-] N104635 [0,0,1,0,1,0|2,0,0]=4 899 B10R1.61 CC1=NC=CN=C1C(=O)C A113965 [0,0,1,0,1,0|2,0,0]=4 900 B10R1.61 CS(=O)C1=CC=CC=C1Br B405198 [0,0,1,0,1,0|2,0,0]=4 901 B10R1.61 OC(=O)C1=CC=CC=C1O S408836 [0,0,1,0,1,0|2,0,0]=4 902 B10R1.64 CC1=C(C=CO1)SC(=O)C M103574 [0,0,1,0,1,0|1,1,0]=4 903 B10R1.66 C1=C(NC=N1)CCC(=O)O I165812 [0,0,1,0,1,0|2,0,0]=4 904 B10R1.66 C1=CN(C=C1)CCC(=O)O D304839 [0,0,1,0,1,0|1,0,0]=3 905 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [0,0,1,0,1,0|1,0,0]=3 906 B10R1.66 C1=CSC(=C1)CCC(=O)O T472520 [0,0,1,0,1,0|1,0,0]=3 907 B10R2.7 C1=CC2=CON=C2C=C1 A151655 [1,0,0,0,1,0|2,0,0]=4 908 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104724 [1,0,0,0,1,0|1,0,1]=4 909 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104725 [1,0,0,0,1,0|1,0,1]=4 910 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104726 [1,0,0,0,1,0|1,0,1]=4 911 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104728 [1,0,0,0,1,0|1,0,1]=4 912 B10R2.7 C1=CC=C2C(=C1)C=CN2 I420909 [1,0,0,0,1,0|1,0,1]=4 913 B10R2.7 C1=CC=C2C(=C1)C=CO2 B107470 [1,0,0,0,1,0|0,0,1]=3 914 B10R2.7 C1=CC=C2C(=C1)C=CS2 B107023 [1,0,0,0,1,0|0,1,1]=4 915 B10R2.7 C1=CC=C2C(=C1)C=NN2 I157585 [1,0,0,0,1,0|2,0,0]=4 916 B10R2.7 C1=CC=C2C(=C1)C=NO2 B151955 [1,0,0,0,1,0|1,0,1]=4 917 B10R2.7 C1=CC=C2C(=C1)N=CO2 B152628 [1,0,0,0,1,0|1,0,0]=3 918 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104851 [1,0,0,0,1,0|1,1,0]=4 919 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104852 [1,0,0,0,1,0|1,1,0]=4 920 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104854 [1,0,0,0,1,0|1,1,0]=4 921 B10R2.7 C1=CC=C2C(=C1)NC=N2 B106095 [1,0,0,0,1,0|2,0,0]=4 922 B10R2.7 C1C2=CC=CC=C2CN1 I102308 [1,0,0,0,1,0|1,0,1]=4 923 B10R2.7 C1C2=CC=CC=C2CN1 I123491 [1,0,0,0,1,0|1,0,1]=4 924 B10R2.7 C1C=CC2=CC=CC=C21 I105567 [1,0,0,0,1,0|0,0,1]=3 925 B10R2.7 C1C=CC2=CC=CC=C21 I105568 [1,0,0,0,1,0|0,0,1]=3 926 B10R2.7 C1C=CC2=CC=CC=C21 I105569 [1,0,0,0,1,0|0,0,1]=3 927 B10R2.7 C1CC2=C(C1)N=CC=C2 C101917 [1,0,0,0,1,0|1,0,1]=4 928 B10R2.7 C1CC2=C(C1)N=CC=C2 C616548 [1,0,0,0,1,0|1,0,1]=4 929 B10R2.7 C1CC2=CC=CC=C2C1 I105445 [1,0,0,0,1,0|0,0,1]=3 930 B10R2.7 C1CNC2=C1C=CC=N2 D122895 [1,0,0,0,1,0|2,0,0]=4 931 B10R2.7 C1CNC2=CC=CC=C21 I103557 [1,0,0,0,1,0|1,0,0]=3 932 B10R2.7 C1COC2=CC=CC=C21 D170588 [1,0,0,0,1,0|0,0,0]=2 933 B10R2.7 C1OC2=CC=CC=C2O1 B101357 [1,0,0,0,1,0|1,0,0]=3 934 B10R2.7 [B]1OC2=CC=CC=C2O1 C466137 [1,0,0,0,1,0|2,0,0]=4 935 B10R2.320 C1C(C2=CC=CC=C21)Br W132718 [0,0,0,0,2,0|1,0,1]=4 936 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [0,0,1,0,0,1|0,0,1]=3 937 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [0,0,1,0,0,1|0,0,0]=2 938 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [0,0,1,0,0,1|0,0,0]=2 939 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [0,0,1,0,0,1|0,0,1]=3 940 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O B116988 [0,0,1,0,0,1|0,0,0]=2 941 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O N131794 [0,0,1,0,0,1|0,0,0]=2 942 B12R1.252 C1=CC=C(C=C1)COCC(=O)Cl B113756 [0,0,1,0,0,1|1,0,0]=3 943 B12R1.252 C1=CC=C(C=C1)COCC(=O)O B124198 [0,0,1,0,0,1|0,0,0]=2 944 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O P136846 [0,0,1,0,0,1|0,0,0]=2 945 B12R1.252 CC(=O)COCC1=CC=CC=C1 B168757 [0,0,1,0,0,1|1,0,0]=3 946 B12R1.252 CC(=O)NCCC1=CC=CC=C1 N159423 [0,0,1,0,0,1|1,0,0]=3 947 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [0,0,1,0,0,1|1,0,0]=3 948 B12R1.252 CC(COCC1=CC=CC=C1)O B123078 [0,0,1,0,0,1|1,0,1]=4 949 B12R1.252 CC(COCC1=CC=CC=C1)O B123080 [0,0,1,0,0,1|1,0,1]=4