0 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SBB068279 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.27 CCC(=O)NNC1=CC=CC=C1 SBB007827 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.27 CNC(=S)NCC1=CC=CC=C1 SBB017711 [0,0,0,0,0,0|2,1,1]=4 4 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [0,0,0,0,0,0|1,0,1]=2 7 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [0,0,0,0,0,0|0,0,0]=0 8 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 SBB079292 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.27 N#CC(=O)OCC1=CC=CC=C1 SBB057332 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.27 NNC(=O)CCC1=CC=CC=C1 SBB000151 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.27 NNC(=O)CNC1=CC=CC=C1 SBB019864 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.27 NNC(=O)COC1=CC=CC=C1 SBB017408 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.27 NNC(=O)CSC1=CC=CC=C1 SBB072377 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SBB063031 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 SBB108738 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [1,0,0,0,0,0|0,0,2]=3 26 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [1,0,0,0,0,0|0,0,2]=3 27 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.91 CN(C)\C=N\C1=CC=CC=C1 SBB007927 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 SBB004096 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [1,0,0,0,0,0|1,0,2]=4 38 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 SBB040621 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SBB044891 [1,0,0,0,0,0|0,0,2]=3 42 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [1,0,0,0,0,0|0,0,2]=3 43 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [1,0,0,0,0,0|1,0,2]=4 46 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [1,0,0,0,0,0|1,0,1]=3 48 B11R1.91 O=C(O)COC1=CC=CC=N1 SBB086897 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.91 O=C(O)COC1=CN=CC=C1 SBB027277 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.91 O=C(O)CSC1=CC=NC=C1 SBB028482 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.91 O=C(O)CSC1=NC=CC=C1 SBB010505 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [1,0,0,0,0,0|0,0,0]=1 54 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 SBB059539 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 SBB028466 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 SBB028467 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 SBB072995 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 SBB056972 [1,0,0,0,0,0|1,0,1]=3 59 B11R1.91 O=[N+]([O-])\C=C\C1=CN=CC=C1 SBB108901 [1,0,0,0,0,0|2,0,1]=4 60 B13R1.11 CNC(=O)\C=C(\O)C1=CC=CC=C1 SBB035976 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 SBB058960 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.11 COC(=O)CC(=O)C1=NC=CN=C1 SBB303473 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 SBB080480 [0,1,0,0,0,0|1,0,2]=4 64 B13R1.14 CNC(=O)\C=C\C1=CC=C(N)C=C1 SBB080445 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 SBB014252 [0,1,0,0,0,0|0,0,2]=3 66 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 SBB071434 [0,1,0,0,0,0|0,0,2]=3 67 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 SBB072211 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 SBB072596 [0,1,0,0,0,0|1,0,1]=3 69 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 SBB099373 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 SBB002393 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 SBB079913 [0,1,0,0,0,0|1,0,2]=4 72 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [0,1,0,0,0,0|1,0,2]=4 73 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [0,1,0,0,0,0|0,0,2]=3 74 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [0,1,0,0,0,0|1,0,1]=3 75 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [0,1,0,0,0,0|0,0,0]=1 76 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 SBB028101 [0,1,0,0,0,0|0,0,2]=3 77 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 SBB064265 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 SBB080459 [0,1,0,0,0,0|1,0,2]=4 79 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 SBB047072 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.528 COC(=O)COC1=C(F)C=CC=C1 SBB072676 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.528 COC(=O)COC1=CC=CC=C1Cl SBB072684 [0,1,0,0,0,0|1,0,1]=3 82 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 SBB087440 [0,0,0,1,0,0|3,0,0]=4 83 B13R2.10 CC1=NNC(C2=CC=CC=C2)=C1 SBB057471 [0,0,0,1,0,0|3,0,0]=4 84 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 SBB016538 [0,0,0,1,0,0|2,0,0]=3 85 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 SBB005555 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 SBB051629 [0,0,0,1,0,0|1,0,0]=2 87 B13R2.10 O=C1C=C(C2=CC=CC=C2)NN1 SBB023369 [0,0,0,1,0,0|2,0,0]=3 88 B13R2.10 O=C1C=[N+](C2=CC=CC=C2)[N-]O1 SBB087580 [0,0,0,1,0,0|2,0,0]=3 89 B13R2.10 O=C1CC(C2=CC=CC=C2)=NN1 SBB073209 [0,0,0,1,0,0|2,0,1]=4 90 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 SBB000141 [0,0,0,1,0,0|3,0,0]=4 91 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 SBB068903 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.10 O=C1NC(C2=CC=CC=C2)=NO1 SBB019418 [0,0,0,1,0,0|2,0,0]=3 93 B13R2.10 O=C1NC=C(C2=CC=CC=C2)N1 SBB072941 [0,0,0,1,0,0|2,0,1]=4 94 B13R2.10 OC1=CC(C2=CC=CC=C2)=NN1 SBB009415 [0,0,0,1,0,0|2,0,1]=4 95 B13R2.10 OC1=CC(C2=CC=CC=C2)=NO1 SBB023422 [0,0,0,1,0,0|1,0,1]=3 96 B13R2.32 CN1C(=O)C=CC2=C1C=CC=C2 SBB087359 [0,0,0,1,0,0|1,0,0]=2 97 B13R2.32 CN1C(=O)COC2=CC=CC=C21 SBB056034 [0,0,0,1,0,0|2,0,1]=4 98 B13R2.32 NC1=C(O)C=CC2=C1C=CC=C2 SBB000347 [0,0,0,1,0,0|2,0,1]=4 99 B13R2.32 NC1=C2C=CC=CC2=CC=C1O SBB013739 [0,0,0,1,0,0|2,0,1]=4 100 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O SBB069545 [0,0,0,1,0,0|2,0,0]=3 101 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 SBB080000 [0,0,0,1,0,0|2,0,1]=4 102 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 SBB054689 [0,0,0,1,0,0|2,0,1]=4 103 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 SBB096089 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.57 C(=O)C1=CC2=C(C=CC=C2)C=C1 SBB058891 [0,0,0,1,0,0|3,0,0]=4 105 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 SBB061449 [0,0,0,1,0,0|2,0,0]=3 106 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 SBB008352 [0,0,0,1,0,0|2,0,0]=3 107 B13R2.57 COC1=CC=C2C=CC=CC2=C1 SBB060603 [0,0,0,1,0,0|1,0,0]=2 108 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 SBB088950 [0,0,0,1,0,0|1,1,0]=3 109 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 SBB005573 [0,0,0,1,0,0|3,0,0]=4 110 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 SBB054957 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=C1 SBB059611 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 SBB002488 [0,0,0,1,0,0|3,0,0]=4 113 B13R2.57 NCC1=NC2=C(C=CC=C2)C=C1 SBB019277 [0,0,0,1,0,0|3,0,0]=4 114 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 SBB015367 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 SBB004007 [0,0,0,1,0,0|3,0,0]=4 116 B11R1.25 COC(=O)\C=C\C1=CC=CS1 SBB088191 [0,0,0,0,1,0|1,0,0]=2 117 B11R1.40 C1=CC=C(NC(=S)NC)C=C1 SBB003887 [0,0,0,0,1,0|2,1,0]=4 118 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [0,0,0,0,1,0|1,0,1]=3 119 B11R1.40 CNC(=O)NC1=CC=CC=C1 SBB008334 [0,0,0,0,1,0|2,0,0]=3 120 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 SBB040229 [0,0,0,0,1,0|3,0,0]=4 121 B11R1.40 NCC(=O)NC1=CC=CC=C1 SBB004992 [0,0,0,0,1,0|3,0,0]=4 122 B11R1.40 NNC(=O)CC1=CC=CC=C1 SBB046750 [0,0,0,0,1,0|2,0,1]=4 123 B11R1.40 NNC(=O)NC1=CC=CC=C1 SBB028305 [0,0,0,0,1,0|3,0,0]=4 124 B11R1.40 O=C(CBr)NC1=CC=CC=C1 SBB051003 [0,0,0,0,1,0|3,0,0]=4 125 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [0,0,0,0,1,0|2,0,1]=4 126 B11R1.40 O=C(CCl)NC1=CC=CC=C1 SBB030441 [0,0,0,0,1,0|3,0,0]=4 127 B11R1.40 O=C(CCl)OC1=CC=CC=C1 SBB060340 [0,0,0,0,1,0|3,0,0]=4 128 B11R1.40 O=C(CS)NC1=CC=CC=C1 SBB008339 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 SBB040238 [0,0,0,0,1,0|3,0,0]=4 130 B13R1.718 COC(=O)CCCC1=CC=CC=C1 SBB007854 [0,0,0,0,0,1|0,0,2]=3 131 B13R1.718 CSC(=S)N\N=C\C1=CC=CC=C1 SBB057463 [0,0,0,0,0,1|1,2,0]=4 132 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|0,0,2]=4 133 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [2,0,0,0,0,0|1,0,1]=4 135 B10R1.17 N#C\C=C\C1=CC=CC=C1 SBB060940 [2,0,0,0,0,0|1,0,1]=4 136 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [2,0,0,0,0,0|1,0,1]=4 137 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [2,0,0,0,0,0|0,0,0]=2 138 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [2,0,0,0,0,0|0,0,1]=3 139 B12R1.30 O=C(\C=C\O[Na])C1=CC=CC=C1 SBB017286 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [1,1,0,0,0,0|0,0,2]=4 141 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 SBB072870 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 SBB089710 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 SBB057983 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 SBB090182 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 SBB055227 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 SBB017373 [1,1,0,0,0,0|0,0,0]=2 148 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB089732 [1,1,0,0,0,0|0,0,0]=2 149 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 SBB087791 [1,1,0,0,0,0|0,0,0]=2 150 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SBB016295 [1,1,0,0,0,0|0,0,2]=4 151 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 SBB046297 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 SBB004531 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 SBB038335 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.21 CC1=CC=C(\C=C/[N+](=O)[O-])C=C1 SBB000144 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SBB015822 [1,1,0,0,0,0|0,0,0]=2 156 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 SBB113392 [1,1,0,0,0,0|1,0,0]=3 157 B12R1.21 NC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB008061 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 SBB010089 [1,1,0,0,0,0|0,0,2]=4 159 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 SBB001635 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 SBB003553 [1,1,0,0,0,0|0,0,0]=2 161 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SBB017617 [1,1,0,0,0,0|0,0,2]=4 162 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SBB010179 [1,1,0,0,0,0|0,0,2]=4 163 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SBB017621 [1,1,0,0,0,0|0,0,2]=4 164 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SBB052832 [1,1,0,0,0,0|0,0,2]=4 165 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SBB064098 [1,1,0,0,0,0|0,0,2]=4 166 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 SBB016740 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 SBB063172 [1,1,0,0,0,0|1,0,1]=4 168 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 SBB003884 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SBB004535 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 SBB004537 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 SBB030014 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 SBB063740 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 SBB052749 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 SBB059537 [1,1,0,0,0,0|0,0,0]=2 175 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 SBB008203 [1,1,0,0,0,0|0,0,0]=2 176 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 SBB005718 [1,1,0,0,0,0|0,0,0]=2 177 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SBB007613 [1,1,0,0,0,0|0,0,0]=2 178 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 SBB088052 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 SBB087951 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.21 OC(=O)CSC1=CC=C(Cl)C=C1 SBB003520 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.43 C(C1=CC=CC=C1)=C(\C)[N+](=O)[O-] SBB003925 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [1,1,0,0,0,0|0,0,2]=4 183 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O SBB017509 [1,1,0,0,0,0|0,0,0]=2 185 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [1,1,0,0,0,0|0,0,2]=4 186 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [1,1,0,0,0,0|0,0,1]=3 187 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [1,1,0,0,0,0|0,0,2]=4 188 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 SBB087976 [1,1,0,0,0,0|0,0,0]=2 189 B12R1.43 O=C(O)\C(S)=C/C1=CC=CC=C1 SBB043389 [1,1,0,0,0,0|0,0,0]=2 190 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [1,1,0,0,0,0|0,0,1]=3 191 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [1,1,0,0,0,0|0,0,0]=2 193 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 SBB052737 [1,1,0,0,0,0|0,0,0]=2 194 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 SBB057900 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [1,1,0,0,0,0|0,0,2]=4 197 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [1,1,0,0,0,0|0,0,2]=4 198 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [1,1,0,0,0,0|0,0,2]=4 199 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 SBB087612 [1,1,0,0,0,0|0,0,0]=2 201 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 SBB004532 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [1,1,0,0,0,0|0,0,2]=4 203 B12R1.125 CC1=CC=CC=C1NCC(=O)O SBB016671 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O SBB003946 [1,1,0,0,0,0|0,0,0]=2 205 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [1,1,0,0,0,0|0,0,2]=4 206 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [1,1,0,0,0,0|0,0,2]=4 207 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [1,1,0,0,0,0|0,0,2]=4 208 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [1,1,0,0,0,0|0,0,2]=4 209 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl SBB063875 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 SBB080750 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.125 O=C(O)COC1=CC=CC=C1Br SBB038788 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.125 O=C(O)COC1=CC=CC=C1Cl SBB004546 [1,1,0,0,0,0|1,0,1]=4 213 B12R1.125 O=C(O)COC1=CC=CC=C1F SBB007049 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 SBB015306 [1,1,0,0,0,0|0,0,0]=2 215 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SBB061928 [1,1,0,0,0,0|0,0,0]=2 216 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 SBB065726 [1,1,0,0,0,0|0,0,0]=2 217 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br SBB050858 [1,1,0,0,0,0|0,0,0]=2 218 B12R1.125 O=[N+]([O-])\C=C/C1=C(F)C=CC=C1 SBB088053 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [1,1,0,0,0,0|0,0,2]=4 220 B12R1.226 CC(=O)\C=C\C1=CC=CC(Cl)=C1 SBB057836 [1,1,0,0,0,0|0,0,0]=2 221 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 SBB046298 [1,1,0,0,0,0|1,0,1]=4 222 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 SBB004530 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 SBB006620 [1,1,0,0,0,0|0,0,0]=2 224 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 SBB067747 [1,1,0,0,0,0|0,0,2]=4 225 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 SBB051583 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 SBB043435 [1,1,0,0,0,0|0,0,0]=2 227 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 SBB028355 [1,1,0,0,0,0|0,0,2]=4 228 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 SBB010231 [1,1,0,0,0,0|0,0,2]=4 229 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SBB057915 [1,1,0,0,0,0|0,0,2]=4 230 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SBB063235 [1,1,0,0,0,0|0,0,2]=4 231 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SBB005906 [1,1,0,0,0,0|0,0,2]=4 232 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 SBB015442 [1,1,0,0,0,0|1,0,1]=4 233 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 SBB043647 [1,1,0,0,0,0|1,0,1]=4 234 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SBB027407 [1,1,0,0,0,0|1,0,1]=4 235 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 SBB057740 [1,1,0,0,0,0|0,0,0]=2 236 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 SBB042541 [1,1,0,0,0,0|0,0,0]=2 237 B12R1.226 OC(=O)\C=C\C1=CC(Cl)=CC=C1 SBB012383 [1,1,0,0,0,0|0,0,0]=2 238 B12R1.226 OC(=O)\C=C\C1=CC(F)=CC=C1 SBB006621 [1,1,0,0,0,0|0,0,0]=2 239 B12R1.891 O=P(O)(O)\C=C\C1=CC=CC=C1 SBB060111 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.891 O=S(=O)(Cl)\C=C\C1=CC=CC=C1 SBB068869 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 SBB001549 [0,1,0,0,1,0|1,0,0]=3 242 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 SBB087708 [0,1,0,0,1,0|2,0,0]=4 243 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 SBB053707 [0,1,0,0,1,0|0,0,1]=3 244 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 SBB007734 [0,1,0,0,1,0|0,0,1]=3 245 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SBB017485 [0,1,0,0,1,0|0,0,1]=3 246 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 SBB051444 [0,1,0,0,1,0|0,0,1]=3 247 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 SBB057682 [0,1,0,0,1,0|0,0,1]=3 248 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 SBB080274 [0,1,0,0,1,0|2,0,0]=4 249 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 SBB080008 [0,1,0,0,1,0|2,0,0]=4 250 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 SBB080431 [0,1,0,0,1,0|1,0,1]=4 251 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SBB017032 [0,1,0,0,1,0|0,0,1]=3 252 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 SBB059052 [0,1,0,0,1,0|0,0,1]=3 253 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 SBB027266 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.50 CCC(=O)NC1=CC(O)=CC=C1 SBB080003 [0,1,0,0,1,0|2,0,0]=4 255 B12R1.371 CCC(=O)NC1=CC=CC=C1O SBB080002 [0,1,0,0,1,0|2,0,0]=4 256 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 SBB008046 [0,1,0,0,0,1|0,0,1]=3 257 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 SBB003613 [0,1,0,0,0,1|0,0,2]=4 258 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 SBB065175 [0,2,0,0,0,0|0,0,1]=3 259 B14R1.10 COC(=O)CC(N)C1=CC=C(Br)C=C1 SBB053789 [0,2,0,0,0,0|0,0,2]=4 260 B14R1.11 COC(=O)CC(=O)C1=CC(Br)=CN=C1 SBB058959 [0,2,0,0,0,0|1,0,1]=4 261 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 SBB040799 [0,2,0,0,0,0|0,0,1]=3 262 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 SBB091566 [0,2,0,0,0,0|1,0,1]=4 263 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 SBB010111 [0,2,0,0,0,0|1,0,1]=4 264 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 SBB068851 [0,2,0,0,0,0|0,0,2]=4 265 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 SBB053785 [0,2,0,0,0,0|0,0,0]=2 266 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 SBB001327 [0,2,0,0,0,0|0,0,2]=4 267 B14R1.3297 CNC(=O)\C=C(/NC)C1=CC=CC=C1 SBB035973 [0,2,0,0,0,0|1,0,0]=3 268 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 SBB091714 [0,2,0,0,0,0|1,0,1]=4 269 B14R1.5 COC(=O)COC1=CC=C(OC)C=C1 SBB071632 [0,2,0,0,0,0|1,0,1]=4 270 B14R1.134 CNC(=O)C(=O)NC1=CC=C(Cl)C=C1 SBB094710 [0,2,0,0,0,0|2,0,0]=4 271 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 SBB003149 [0,2,0,0,0,0|0,0,2]=4 272 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB003272 [0,2,0,0,0,0|0,0,2]=4 273 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB010218 [0,2,0,0,0,0|0,0,2]=4 274 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB010220 [0,2,0,0,0,0|0,0,2]=4 275 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB010225 [0,2,0,0,0,0|0,0,2]=4 276 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SBB010217 [0,2,0,0,0,0|0,0,2]=4 277 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SBB010219 [0,2,0,0,0,0|0,0,2]=4 278 B14R1.134 [C@@H](C)(OC1=CC=C(O)C=C1)C(=O)OC SBB071428 [0,2,0,0,0,0|1,0,1]=4 279 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 SBB072991 [0,2,0,0,0,0|0,0,2]=4 280 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 SBB091746 [0,2,0,0,0,0|0,0,2]=4 281 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 SBB073630 [0,2,0,0,0,0|1,0,1]=4 282 B14R1.833 COC(=O)\C=C\C1=CC(O)=C(O)C=C1 SBB000325 [0,2,0,0,0,0|0,0,0]=2 283 B14R1.32 CCNC(=O)\C=C\C1=CC(Br)=CC=C1 SBB057810 [0,2,0,0,0,0|1,0,0]=3 284 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 SBB047119 [0,2,0,0,0,0|1,0,1]=4 285 B14R1.32 CCOC(=O)COC1=CC(Cl)=CC=C1 SBB073628 [0,2,0,0,0,0|1,0,1]=4 286 B14R1.77 COC(=O)COC1=CC=CC(C=O)=C1 SBB035937 [0,2,0,0,0,0|1,0,1]=4 287 B14R1.135 COC(=O)C(C)OC1=CC(Cl)=CC=C1 SBB020294 [0,2,0,0,0,0|1,0,1]=4 288 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 SBB004645 [0,2,0,0,0,0|1,0,0]=3 289 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl SBB029883 [0,2,0,0,0,0|1,0,1]=4 290 B14R1.863 COC(=O)COC1=CC=CC=C1C#N SBB072184 [0,2,0,0,0,0|1,0,1]=4 291 B14R1.863 COC(=O)COC1=CC=CC=C1C=O SBB091719 [0,2,0,0,0,0|1,0,1]=4 292 B12R1.77 CNC1=CC=CC=C1C(=O)OC SBB058534 [0,0,1,1,0,0|1,0,1]=4 293 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 SBB064193 [0,0,1,1,0,0|1,0,0]=3 294 B12R1.77 COC(=O)C1=C(CN)C=CC=C1 SBB092824 [0,0,1,1,0,0|1,0,1]=4 295 B12R1.77 COC(=O)C1=CC=CC=C1C#N SBB053726 [0,0,1,1,0,0|1,0,1]=4 296 B12R1.77 COC(=O)C1=CC=CC=C1OC SBB061390 [0,0,1,1,0,0|1,0,1]=4 297 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 SBB057934 [0,0,1,1,0,0|2,0,0]=4 298 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 SBB059049 [0,0,1,1,0,0|2,0,0]=4 299 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 SBB002397 [0,0,1,1,0,0|2,0,0]=4 300 B12R1.354 COC(=O)C1=C(O)C=CC(I)=C1 SBB002390 [0,0,1,1,0,0|2,0,0]=4 301 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 SBB007711 [0,0,1,1,0,0|2,0,0]=4 302 B12R1.354 COC(=O)C1=CC(Br)=CC=C1C SBB064776 [0,0,1,1,0,0|1,0,1]=4 303 B12R1.354 COC(=O)C1=CC(C)=CC=C1N SBB087918 [0,0,1,1,0,0|1,0,1]=4 304 B12R1.354 COC(=O)C1=CC(C)=CC=C1O SBB053692 [0,0,1,1,0,0|1,0,1]=4 305 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1Br SBB068775 [0,0,1,1,0,0|2,0,0]=4 306 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1Cl SBB058326 [0,0,1,1,0,0|2,0,0]=4 307 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O SBB053713 [0,0,1,1,0,0|2,0,0]=4 308 B12R1.354 COC(=O)C1=CC(F)=CC=C1C SBB065202 [0,0,1,1,0,0|1,0,1]=4 309 B12R1.354 COC(=O)C1=CC(F)=CC=C1N SBB053778 [0,0,1,1,0,0|2,0,0]=4 310 B12R1.354 COC(=O)C1=CC(I)=CC=C1N SBB064707 [0,0,1,1,0,0|2,0,0]=4 311 B12R1.354 COC(=O)C1=CC(N)=CC=C1C SBB064771 [0,0,1,1,0,0|1,0,1]=4 312 B12R1.354 COC(=O)C1=CC(N)=CC=C1Cl SBB013130 [0,0,1,1,0,0|2,0,0]=4 313 B12R1.435 COC(=O)C1=CC(CO)=CC=C1 SBB059613 [0,0,1,1,0,0|1,0,1]=4 314 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 SBB005793 [0,0,1,1,0,0|1,0,1]=4 315 B12R1.435 COC(=O)C1=CC=CC(OC)=C1 SBB063351 [0,0,1,1,0,0|1,0,1]=4 316 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 SBB023350 [1,0,0,1,0,0|2,0,0]=4 317 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 SBB060210 [1,0,0,1,0,0|2,0,0]=4 318 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 SBB060401 [1,0,0,1,0,0|1,0,0]=3 319 B12R2.1081 CC1=CC=CC2=CC=CN=C12 SBB080579 [1,0,0,1,0,0|2,0,0]=4 320 B12R2.1081 CC1=CC=CC2=NC=CC=C12 SBB059687 [1,0,0,1,0,0|2,0,0]=4 321 B12R2.1081 CC1=CC=NC2=C1C=CC=C2 SBB058784 [1,0,0,1,0,0|2,0,0]=4 322 B12R2.1081 CC1=NC=CC2=CC=CC=C21 SBB056020 [1,0,0,1,0,0|2,0,0]=4 323 B12R2.1081 C[N+]1=C2C=CC=CC2=CC=C1 SBB061147 [1,0,0,1,0,0|1,0,0]=3 324 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 SBB060227 [1,0,0,1,0,0|2,0,0]=4 325 B12R2.1081 FC1=CC=CC2=C1C=CC=C2 SBB086490 [1,0,0,1,0,0|2,0,0]=4 326 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 SBB040451 [1,0,0,1,0,0|2,0,0]=4 327 B12R2.1081 OC1=CC=CC2=CC=CC=C12 SBB040845 [1,0,0,1,0,0|2,0,0]=4 328 B12R2.1081 [O-][N+]1=CC=CC2=C1C=CC=C2 SBB058323 [1,0,0,1,0,0|2,0,0]=4 329 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 SBB093967 [1,0,0,1,0,0|2,0,0]=4 330 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 SBB059125 [1,0,0,1,0,0|2,0,0]=4 331 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 SBB059301 [1,0,0,1,0,0|2,0,0]=4 332 B12R2.24 CC1=CC=C2C=CC=CC2=C1 SBB060085 [1,0,0,1,0,0|1,0,0]=3 333 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 SBB008939 [1,0,0,1,0,0|1,0,0]=3 334 B12R2.24 CC1=NC2=NC=CC=C2C=C1 SBB042157 [1,0,0,1,0,0|2,0,0]=4 335 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 SBB086356 [1,0,0,1,0,0|2,0,0]=4 336 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 SBB056975 [1,0,0,1,0,0|2,0,0]=4 337 B12R2.24 FC1=CC2=C(C=CC=C2)C=C1 SBB086491 [1,0,0,1,0,0|1,0,1]=4 338 B12R2.24 NC1=CC=C2C=CC=CC2=C1 SBB057506 [1,0,0,1,0,0|1,0,1]=4 339 B12R2.24 NC1=NC2=CC=CC=C2C=C1 SBB051994 [1,0,0,1,0,0|2,0,0]=4 340 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [1,0,0,1,0,0|0,0,0]=2 341 B12R2.24 O=C1C=CC2=CC=CC=C2N1 SBB004119 [1,0,0,1,0,0|1,0,0]=3 342 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [1,0,0,1,0,0|1,0,1]=4 343 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [1,0,0,1,0,0|0,0,2]=4 344 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SBB059635 [1,0,0,1,0,0|2,0,0]=4 345 B12R2.24 OC1=CC2=CC=CC=C2C=C1 SBB040896 [1,0,0,1,0,0|1,0,0]=3 346 B12R2.24 OC1=CC=C2C=CN=CC2=C1 SBB056018 [1,0,0,1,0,0|2,0,0]=4 347 B12R2.24 OC1=CC=C2N=CC=CC2=C1 SBB004117 [1,0,0,1,0,0|2,0,0]=4 348 B12R2.24 OC1=NC2=CC=CC=C2N=C1 SBB056025 [1,0,0,1,0,0|2,0,0]=4 349 B12R2.24 OC1=NC2=NC=CC=C2C=C1 SBB081927 [1,0,0,1,0,0|2,0,0]=4 350 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 SBB059269 [1,0,0,1,0,0|0,1,1]=4 351 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 SBB088011 [1,0,0,1,0,0|1,0,1]=4 352 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [1,0,0,1,0,0|0,0,2]=4 353 B12R2.44 COC1=CC=C2C=CNC2=C1 SBB055970 [0,0,0,1,1,0|2,0,0]=4 354 B12R2.44 N1C=CC2=C1C=CC(OC)=C2 SBB004094 [0,0,0,1,1,0|2,0,0]=4 355 B12R2.18 CN1C(=O)CC2=CC=CC=C21 SBB006878 [0,0,0,1,1,0|1,0,1]=4 356 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 SBB017054 [0,0,0,1,1,0|2,0,0]=4 357 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 SBB071442 [0,0,0,1,1,0|2,0,0]=4 358 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SBB055826 [0,0,0,1,0,1|0,0,2]=4 359 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 SBB003803 [0,0,0,1,0,1|2,0,0]=4 360 B14R2.95 CCC(=O)C1=CNC2=CC=CC=C21 SBB080593 [0,0,0,1,0,1|1,0,0]=3 361 B14R2.95 COC(=O)C1=C2N=CC=CN2N=C1 SBB002106 [0,0,0,1,0,1|2,0,0]=4 362 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 SBB012373 [0,0,0,1,0,1|0,0,0]=2 363 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 SBB009999 [0,0,0,1,0,1|1,0,0]=3 364 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 SBB009151 [0,0,0,1,0,1|2,0,0]=4 365 B14R2.95 O=C(CCl)C1=CNC2=CC=CC=C21 SBB048999 [0,0,0,1,0,1|2,0,0]=4 366 B14R2.4514 CN1C(C2=CC=CC=C2)=CN=C1N SBB301779 [0,0,0,1,0,1|2,0,0]=4 367 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1N SBB005507 [0,1,0,1,0,0|2,0,0]=4 368 B14R2.260 CN1NC(C2=CC=CC=C2)=CC1=O SBB023391 [0,1,0,1,0,0|1,0,0]=3 369 B14R2.1019 COC1=CC2=C(N=CC=C2)C(N)=C1 SBB014274 [0,1,0,1,0,0|2,0,0]=4 370 B14R2.7724 CN1C(=O)C=C(Cl)C2=C1C=CC=C2 SBB040139 [0,1,0,1,0,0|1,0,0]=3 371 B14R2.7724 CN1C(=O)CC(=O)C2=C1C=CC=C2 SBB039832 [0,1,0,1,0,0|1,0,1]=4 372 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C21 SBB072489 [0,1,0,1,0,0|2,0,0]=4 373 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 SBB000196 [0,1,0,1,0,0|2,0,0]=4 374 B14R2.20 CC1=CC=C(C2=NOC(N)=C2)C=C1 SBB025111 [0,1,0,1,0,0|2,0,0]=4 375 B14R2.20 NC1=CC(C2=CC=C(Br)C=C2)=NO1 SBB016621 [0,1,0,1,0,0|2,0,0]=4 376 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NO1 SBB016692 [0,1,0,1,0,0|2,0,0]=4 377 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NO1 SBB022240 [0,1,0,1,0,0|2,0,0]=4 378 B14R2.20 O=C1C=C(C2=CC=C(F)C=C2)NN1 SBB019241 [0,1,0,1,0,0|2,0,0]=4 379 B14R2.134 COC1=CC2=C(C=C1)N=CC(N)=C2 SBB051580 [0,1,0,1,0,0|2,0,0]=4 380 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 SBB072750 [0,1,0,1,0,0|1,0,0]=3 381 B14R2.22 CC1=CC=CC(C2=NOC(N)=C2)=C1 SBB048000 [0,1,0,1,0,0|2,0,0]=4 382 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 SBB091638 [0,1,0,1,0,0|2,0,0]=4 383 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)C=C2 SBB059487 [0,1,0,1,0,0|1,0,0]=3 384 B14R2.2332 COC1=CC2=C(C=C1)N=C(C)C=C2 SBB059281 [0,1,0,1,0,0|2,0,0]=4 385 B14R2.29369 O=C1C=CC2=C(C=CC(Br)=C2)C1=O SBB080583 [0,1,0,1,0,0|2,0,0]=4 386 B14R2.112 CCCC1=CC=C2C=CC=CC2=C1 SBB061520 [0,1,0,1,0,0|2,0,0]=4 387 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 SBB061201 [0,1,0,1,0,0|1,0,0]=3 388 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 SBB055770 [0,1,0,1,0,0|0,0,1]=3 389 B14R2.972 COC(=N)C1=NC2=CC=CC=C2O1 SBB046558 [0,1,0,1,0,0|2,0,0]=4 390 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 SBB066632 [0,1,0,1,0,0|0,0,0]=2 391 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 SBB091439 [0,1,0,1,0,0|0,0,0]=2 392 B14R2.972 COC(=O)C1=CN2C=CC=NC2=N1 SBB046618 [0,1,0,1,0,0|2,0,0]=4 393 B14R2.972 COC(=O)C1=NN2C=CC=NC2=C1 SBB022200 [0,1,0,1,0,0|2,0,0]=4 394 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2S1 SBB028399 [0,1,0,1,0,0|2,0,0]=4 395 B14R2.972 O=C(CBr)C1=CC2=CC=CC=C2O1 SBB040695 [0,1,0,1,0,0|2,0,0]=4 396 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 SBB017865 [0,1,0,1,0,0|2,0,0]=4 397 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)C=C1 SBB040253 [0,1,0,1,0,0|2,0,0]=4 398 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 SBB007801 [0,1,0,1,0,0|2,0,0]=4 399 B14R2.781 CC(O)C1=CC=C2C=CC=CC2=C1 SBB068441 [0,1,0,1,0,0|2,0,0]=4 400 B14R2.781 [C@@H](C)(N)C1=CC=C2C=CC=CC2=C1 SBB003846 [0,1,0,1,0,0|2,0,0]=4 401 B14R2.92 O=NC1=CC=C2C=CC=CC2=C1O SBB056835 [0,1,0,1,0,0|2,0,0]=4 402 B14R2.256 NC1=CC(C2=CC=CC=C2F)=NO1 SBB025110 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.1801 COC1=CC2=C(C=C1)[N+]([O-])=CC=C2 SBB005919 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [1,0,0,0,1,0|1,0,1]=4 405 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [1,0,0,0,1,0|1,0,0]=3 406 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [1,0,0,0,1,0|2,0,0]=4 407 B10R1.18 CC(=O)NC1=CC=NC=C1 SBB085931 [1,0,0,0,1,0|2,0,0]=4 408 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [1,0,0,0,1,0|1,0,0]=3 409 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [1,0,0,0,1,0|1,1,0]=4 410 B10R1.18 C\[N+]([O-])=C/C1=CC=CC=C1 SBB085895 [1,0,0,0,1,0|1,0,1]=4 411 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [1,0,0,0,1,0|1,0,1]=4 412 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [1,0,0,0,1,0|2,0,0]=4 413 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [1,0,0,0,1,0|1,0,1]=4 414 B10R1.18 O=C(Cl)OC1=CC=CC=C1 SBB060851 [1,0,0,0,1,0|2,0,0]=4 415 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [1,0,0,0,1,0|1,0,1]=4 416 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [1,0,0,0,1,0|1,0,1]=4 417 B10R1.18 OC(=O)CC1=CC=NC=C1 SBB005759 [1,0,0,0,1,0|1,0,1]=4 418 B10R1.18 [NH2+](C(=O)Cl)C1=CC=CC=C1 SBB060746 [1,0,0,0,1,0|2,0,0]=4 419 B10R1.66 CC(=O)\C=C\C1=CC=CO1 SBB056697 [1,0,0,0,1,0|1,0,0]=3 420 B10R1.66 CC(=O)\C=C\C1=CC=CS1 SBB056771 [1,0,0,0,1,0|1,0,0]=3 421 B10R1.66 NC(=O)\C=C\C1=CC=CO1 SBB085962 [1,0,0,0,1,0|2,0,0]=4 422 B10R1.66 O=C(O)\C=C\C1=CNC=N1 SBB006702 [1,0,0,0,1,0|2,0,0]=4 423 B10R1.66 O=C(O)\C=C\C1=COC=C1 SBB004191 [1,0,0,0,1,0|1,0,0]=3 424 B10R1.66 O=C(O)\C=C\C1=CSC=C1 SBB004033 [1,0,0,0,1,0|1,0,0]=3 425 B10R1.66 OC(=O)\C=C\C1=CC=CO1 SBB004189 [1,0,0,0,1,0|1,0,0]=3 426 B10R1.66 OC(=O)\C=C\C1=CC=CS1 SBB004032 [1,0,0,0,1,0|1,0,0]=3 427 B10R1.27 COC(=O)CC1=CC=CS1 SBB061973 [0,0,0,0,2,0|1,0,1]=4 428 B10R1.15 C#CC(=O)C1=CC=CC=C1 SBB012771 [0,0,0,0,2,0|1,0,1]=4 429 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [0,0,0,0,2,0|1,0,0]=3 430 B10R1.15 CCC(=O)C1=CC=NC=C1 SBB068976 [0,0,0,0,2,0|2,0,0]=4 431 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [0,0,0,0,2,0|1,0,0]=3 432 B10R1.15 COC(=N)C1=CC=CC=C1 SBB055305 [0,0,0,0,2,0|1,0,0]=3 433 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [0,0,0,0,2,0|0,0,0]=2 434 B10R1.15 COC(=O)C1=CC=CC=N1 SBB008127 [0,0,0,0,2,0|1,0,0]=3 435 B10R1.15 COC(=O)C1=CC=NC=C1 SBB058848 [0,0,0,0,2,0|1,0,0]=3 436 B10R1.15 COC(=O)C1=CN=CC=C1 SBB040924 [0,0,0,0,2,0|1,0,0]=3 437 B10R1.15 COC(=O)C1=NC=CC=N1 SBB053945 [0,0,0,0,2,0|2,0,0]=4 438 B10R1.15 COC(=O)C1=NC=CN=C1 SBB053939 [0,0,0,0,2,0|2,0,0]=4 439 B10R1.15 COC(=O)C1=NC=NC=C1 SBB053949 [0,0,0,0,2,0|2,0,0]=4 440 B10R1.15 N#CC(=O)C1=CC=CC=C1 SBB058756 [0,0,0,0,2,0|2,0,0]=4 441 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [0,0,0,0,2,0|2,0,0]=4 442 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [0,0,0,0,2,0|2,0,0]=4 443 B10R1.15 NNC(=O)C1=CC=CC=C1 SBB040976 [0,0,0,0,2,0|2,0,0]=4 444 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [0,0,0,0,2,0|2,0,0]=4 445 B10R1.15 O=C(NO)C1=CC=CC=C1 SBB058405 [0,0,0,0,2,0|2,0,0]=4 446 B10R1.15 O=CC(=O)C1=CC=CC=C1 SBB068905 [0,0,0,0,2,0|2,0,0]=4 447 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [0,0,0,0,2,0|2,0,0]=4