0 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 P38107 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.78 CCC1=C(C#N)C=CC(C=O)=C1 N27703 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 N25709 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.78 COC1=C(C=O)C=C(SC)C=C1 N26947 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.78 COC1=C(CN)C=C(C=O)C=C1 L21072 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 Q60225 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.78 COC1=C(OC)N=C(CN)C=C1 L21831 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.78 COC1=CC(C=O)=CN=C1OC Q68344 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.78 COC1=CC=C(SC)C(OC)=N1 N27351 [0,0,0,0,0,0|3,1,0]=4 9 B11R1.37 C#CC1=CC=C(O)C=C1OC H-8968 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 N25578 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.37 COC1=C(CN)C=C(N)C=C1 L20552 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.37 COC1=C(SC)C=C(Br)C=C1 N26499 [1,0,0,0,0,0|1,1,0]=3 13 B11R1.37 COC1=CC(Br)=CC=C1CO P40595 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.37 COC1=CC(Br)=CN=C1OC N24787 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.37 COC1=CC(C)=CC=C1C=O Q67836 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.37 COC1=CC(C)=CC=C1CO O29222 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.37 COC1=CC(F)=CC=C1C=O Q67688 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.37 COC1=CC(F)=CC=C1CO N24144 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.37 COC1=CC(F)=CC=C1SC N25416 [1,0,0,0,0,0|1,1,0]=3 20 B11R1.37 COC1=CC(O)=CC=C1C=O Q68147 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.37 COC1=CC=C(Br)C=C1CO Q67815 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.37 COC1=CC=C(Br)N=C1OC Q52797 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.37 COC1=CC=C(C)C=C1C=O Q67087 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.37 COC1=CC=C(C)C=C1CO Q67516 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.37 COC1=CC=C(Cl)C=C1CO N25307 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.37 COC1=CC=C(O)C=C1C=O N24958 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.37 COC1=CC=C(O)C=C1OC Q67095 [1,0,0,0,0,0|0,0,1]=2 28 B11R1.37 COC1=CN=C(N)C=C1OC K12314 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.279 C#CC1=CC=C(OC)C(F)=C1 M22820 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 O34034 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.279 COC1=CC=C(C#N)C=C1N O31758 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.279 COC1=CC=C(C=O)N=C1C N27704 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.279 COC1=CC=C(CBr)C=C1Br N25169 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.279 COC1=CC=C(CO)C=C1Br Q67814 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.279 COC1=CC=C(CO)C=C1C Q67936 [1,0,0,0,0,0|0,0,2]=3 36 B11R1.279 COC1=CC=C(CO)C=C1Cl Q67888 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.279 COC1=CC=C(CO)C=C1F Q65952 [1,0,0,0,0,0|1,0,2]=4 38 B11R1.279 COC1=CC=C(OC)C(O)=C1 N24557 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.279 COC1=CN=C(C=O)C=C1Cl O29323 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.279 COC1=CN=C(CO)C=C1O O31707 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.279 COC1=CN=C(OC)C(C)=C1 N26962 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.279 COC1=NC=C(C=O)C=C1Br Q67210 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.279 COC1=NC=C(C=O)C=C1C N25919 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.279 COC1=NC=C(C=O)C=C1Cl Q66656 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.279 COC1=NC=C(CO)C=C1C N26256 [1,0,0,0,0,0|1,0,2]=4 46 B11R1.279 CSC1=C(Cl)C=C(C=O)C=C1 N27211 [1,0,0,0,0,0|1,1,0]=3 47 B11R1.279 CSC1=C(F)C=C(C=O)C=C1 N25178 [1,0,0,0,0,0|1,1,0]=3 48 B11R1.279 CSC1=NC=C(C=O)C=C1C N26891 [1,0,0,0,0,0|1,1,0]=3 49 B11R1.279 N#CC1=CC=C(C=O)C=C1F Q67316 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.279 O=CC1=CC=C(C=O)C(I)=C1 Q69776 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.280 CCC1=C(Cl)C=CC(C=O)=C1 N24684 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 N24454 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.280 COC1=CC(C#N)=CC=C1Cl N24459 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.280 COC1=CC(C=O)=CC=C1Br O30813 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.280 COC1=CC(C=O)=CC=C1C Q66680 [1,0,0,0,0,0|0,0,0]=1 56 B11R1.280 COC1=CC(C=O)=CN=C1Br N26263 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.280 COC1=CC(C=O)=CN=C1Cl N26264 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.280 COC1=CC(C=O)=CN=C1F N25807 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.280 COC1=CC(C=O)=NC=C1C S72552 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.280 COC1=CC(CN)=CC=C1C O32190 [1,0,0,0,0,0|1,0,1]=3 61 B11R1.280 COC1=CC(CO)=CC=C1Br N24448 [1,0,0,0,0,0|1,0,2]=4 62 B11R1.280 COC1=CC(CO)=CC=C1C P37968 [1,0,0,0,0,0|0,0,2]=3 63 B11R1.280 COC1=CC(CO)=CC=C1F Q67723 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.280 COC1=CC(SC)=CC=C1F Q68737 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.280 COC1=CC=C(O)C(OC)=N1 N26055 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.280 CSC1=C(C)C=CC(C=O)=C1 N27220 [1,0,0,0,0,0|0,1,0]=2 67 B11R1.280 CSC1=C(F)C=CC(C=O)=C1 N27188 [1,0,0,0,0,0|1,1,0]=3 68 B11R1.280 CSC1=CC(C=O)=CC=C1Br Q68493 [1,0,0,0,0,0|1,1,0]=3 69 B13R1.99 COC1=CC(C=O)=CC=C1B(O)O N25542 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.355 CCOC1=CC(C=O)=NC=C1CC S72487 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.355 COC1=C(CC#N)C=C(C=O)C=C1 L21069 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.386 COC1=CC=C(CCBr)C=C1OC P38260 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.434 COC1=CC(C=O)=CC(F)=C1OC N26205 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.1249 CCOC1=C(CC)C=C(C=O)C=C1 N25410 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.1249 CCOC1=C(CC)C=C(CO)C=C1 N27610 [0,1,0,0,0,0|1,0,2]=4 76 B13R1.1249 CNCC1=CC=C(OC)C=C1OC P42965 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.1249 COCC1=CC=C(OC)N=C1OC N26545 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.2200 COC1=C(OC)C=C(CO)C(Br)=C1 N24793 [0,1,0,0,0,0|0,0,2]=3 79 B13R1.2430 COC1=C(C(C)C)C=C(C=O)C=C1 N26121 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.2430 COC1=CC=C(CO)C=C1C(C)C O29082 [0,1,0,0,0,0|1,0,2]=4 81 B13R1.2430 COC1=CC=C(OC)C(C(C)N)=C1 P38602 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.3091 CCC1=C(C#N)C=CC(C(=O)O)=C1 N27749 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 P48493 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.3091 CCC1=C(OC)C=CC(B(O)O)=C1 N26270 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.3091 COC1=C(C#N)C=NC(C(=O)O)=C1 Q55232 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.3091 COC1=C(C=O)C=C(C(=O)O)C=C1 N26082 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 Q60493 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.3091 COC1=C(SC)C=C(B(O)O)C=C1 N25793 [0,1,0,0,0,0|1,1,1]=4 89 B13R1.3091 COC1=CC(B(O)O)=CN=C1OC N26320 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.3091 COC1=CC(C(=O)O)=CC=C1C#N O29918 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.3091 COC1=CC(C(=O)O)=CC=C1CO H-8084 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.3091 COC1=CC=C(C(=O)O)C=C1SC O29289 [0,1,0,0,0,0|0,1,0]=2 93 B13R1.3091 COC1=CC=C(C(C)N)C=C1OC P37764 [0,1,0,0,0,0|1,0,1]=3 94 B13R2.57 BrCC1=CC=C2OCCOC2=C1 O29431 [0,0,0,1,0,0|1,0,1]=3 95 B13R2.57 COC1=CC=C2OCCOC2=N1 P43582 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.57 O=CC1=CC2=C(C=C1)CCCO2 P43488 [0,0,0,1,0,0|1,0,0]=2 97 B13R2.57 O=CC1=CN=C2OCCOC2=C1 S72567 [0,0,0,1,0,0|1,0,0]=2 98 B13R2.57 O=CC1=NN=C2OCCOC2=C1 S72767 [0,0,0,1,0,0|2,0,0]=3 99 B13R2.57 OCC1=CC=C2OCCOC2=C1 P38347 [0,0,0,1,0,0|0,0,2]=3 100 B13R2.669 CN1N=CC2=C1C=C(C=O)C=C2 O31129 [0,0,0,1,0,0|3,0,0]=4 101 B13R2.2130 CN1N=CC2=CC(C=O)=CC=C21 L13614 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.20 COC1=C(OC)C=NC=C1 O32932 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.20 COC1=CC=CC=C1CBr O30598 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.25 COC1=C(C)C=C(Br)C=N1 10642 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.25 COC1=C(C)C=C(O)C=C1 N25234 [2,0,0,0,0,0|0,0,1]=3 106 B10R1.25 COC1=C(Cl)C=C(I)C=C1 N24180 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.25 COC1=CC=C(Br)C=C1F I-9161 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.25 COC1=CC=C(Br)C=C1N Q67396 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.25 COC1=CC=C(Br)N=C1C N24916 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.25 COC1=CC=C(C)C=C1F Q67608 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.25 COC1=CC=C(F)N=C1C N26375 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.25 COC1=CC=C(I)C=C1Br Q68173 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.25 COC1=CC=C(O)C=C1Br Q66991 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.25 COC1=CC=C(O)C=C1Cl Q67654 [2,0,0,0,0,0|1,0,1]=4 115 B10R1.25 COC1=CC=C(O)C=C1F Q67009 [2,0,0,0,0,0|1,0,1]=4 116 B10R1.25 COC1=CN=C(Cl)C=C1C Q67505 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.25 COC1=CN=C(F)C=C1C N24782 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.25 COC1=CN=C(N)C=C1C L20666 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.25 COC1=NC=C(Br)C=C1O G-6879 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.25 COC1=NC=C(I)C=C1C N25697 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.25 COC1=NC=C(O)C=C1C N25032 [2,0,0,0,0,0|1,0,1]=4 122 B10R1.25 CSC1=CC=C(Br)C=C1C Q68080 [2,0,0,0,0,0|1,1,0]=4 123 B10R1.25 CSC1=CC=C(F)C=C1C N24243 [2,0,0,0,0,0|1,1,0]=4 124 B10R1.25 CSC1=CC=C(F)C=C1O N25555 [2,0,0,0,0,0|1,1,0]=4 125 B10R1.30 CCC1=C(O)C=CC(Br)=C1 N24526 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.30 COC1=C(C)C=CC(O)=C1 N24341 [2,0,0,0,0,0|0,0,1]=3 127 B10R1.30 COC1=C(Cl)C=CC(O)=C1 N24761 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.30 COC1=CC(Br)=CC=C1I Q67115 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.30 COC1=CC(Br)=CN=C1C Q52072 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.30 COC1=CC(C)=CC=C1Br Q66623 [2,0,0,0,0,0|1,0,1]=4 131 B10R1.30 COC1=CC(Cl)=CC=C1N O30871 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.30 COC1=CC(F)=CC=C1I N24671 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.30 COC1=CC(F)=CC=C1N Q65477 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.30 COC1=CC(O)=CC=C1Br Q67374 [2,0,0,0,0,0|1,0,1]=4 135 B10R1.30 COC1=NC(I)=CC=C1O L20850 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.30 CSC1=C(C)C=CC(Br)=C1 N24432 [2,0,0,0,0,0|1,1,0]=4 137 B10R1.3 C#CC1=CC=C(C=O)C=C1 P36909 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.3 CCC1=NC=C(C=O)C=C1 Q60469 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.3 CNC1=NC=C(C=O)C=C1 Q55452 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.3 COC1=CC=C(CBr)C=C1 Q67503 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.3 COC1=CC=C(NN)C=C1 P43291 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.3 COC1=CN=C(C=O)C=C1 N24757 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.3 COC1=CN=C(C=O)C=N1 O29829 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.3 COC1=CN=C(C=O)N=C1 I-9829 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.3 COC1=NC=C(C=O)C=N1 Q67228 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.3 CSC1=NC=C(C=O)C=C1 N24581 [2,0,0,0,0,0|1,1,0]=4 147 B10R1.3 O=CC1=CC=C(CCl)C=C1 P45270 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.3 O=CC1=CC=C(CO)C=C1 P37667 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.176 CC1=C(Br)N=CC(C=O)=C1 N24668 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.176 CC1=C(C)N=CC(C=O)=C1 Q67397 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 Q66671 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.176 CC1=C(F)C=CC(C=O)=N1 L14295 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.176 CC1=C(F)N=CC(C=O)=C1 O30685 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.176 CC1=C(O)C=C(C=O)C=C1 N25292 [2,0,0,0,0,0|0,0,0]=2 155 B10R1.176 CC1=CC(C=O)=CC=C1Br K13407 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.176 CC1=CC(C=O)=CC=C1Cl Q67363 [2,0,0,0,0,0|1,0,0]=3 157 B10R1.176 CC1=CC(C=O)=CC=C1O Q68150 [2,0,0,0,0,0|0,0,0]=2 158 B10R1.176 CC1=CC(C=O)=CN=C1O Q60238 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.176 CC1=CC(C=O)=NC=C1Br N24978 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.176 CC1=CC(C=O)=NC=C1Cl N25470 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.176 CC1=CC=C(C=O)C=C1Br Q67254 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.176 CC1=CC=C(C=O)C=C1Cl Q67635 [2,0,0,0,0,0|1,0,0]=3 163 B10R1.176 CC1=CC=C(C=O)N=C1C Q60347 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.176 CC1=CN=C(C=O)C=C1Br H-8137 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.176 CC1=NC(C=O)=CC=C1Br N24846 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.176 CN1C=C(C=O)C=CC1=O S72506 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.176 CN1C=CC(C=O)=CC1=O I-9722 [2,0,0,0,0,0|1,0,1]=4 168 B10R1.176 COC1=CC=C(C)C(O)=C1 Q67987 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.176 COC1=CC=C(O)C(C)=C1 Q67705 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.176 CSC1=CC(O)=C(C)C=C1 N26961 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.176 CSC1=CC=C(O)C(C)=C1 N24608 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.176 O=CC1=CC=C(F)C(O)=C1 Q67727 [2,0,0,0,0,0|1,0,0]=3 173 B10R1.172 C#CC1=CC(C=O)=CC=C1 O27970 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.172 C=CC1=NC(OC)=CC=C1 Q65665 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.172 CCC1=CC(C=O)=CC=C1 Q67834 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.172 CCC1=NC(C=O)=CC=C1 Q60374 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.172 COC1=CC(C=O)=NC=C1 O30611 [2,0,0,0,0,0|1,0,0]=3 178 B10R1.172 COC1=CC=CC(C=O)=N1 Q67244 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.172 COC1=CN=CC(C=O)=C1 G-6116 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.172 COC1=NC=CC(C=O)=C1 G-5573 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.172 O=CC1=CC=CC(CO)=C1 O34201 [2,0,0,0,0,0|2,0,0]=4 182 B12R1.46 COC1=C(C(C)C)C=C(Br)C=C1 N24470 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.57 COC1=C(C(C)=O)C=CC(O)=C1 H-8631 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.112 CCOC1=C(CC)C=C(Br)C=C1 N26366 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.448 COC1=CC(F)=C(Br)C=C1OC N25432 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.652 COC1=C(OC)C(Cl)=C(I)C=C1 K12398 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.652 COC1=CC=C(Br)C(O)=C1OC N26873 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 N24734 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.48 CCC1=CN=C(C(=O)O)C=C1C S72490 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.48 CNC1=CC=C(C(C)=O)C=C1N O31571 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 P44401 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 A-739 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 S72635 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 N26398 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.48 COC1=C(O)C=C(C(=O)O)C=N1 Q60788 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.48 COC1=CC=C(C(C)=O)C=C1C Q67903 [1,1,0,0,0,0|0,0,0]=2 197 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl L21805 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.48 COC1=NC=C(C(=O)O)C=C1C N26013 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1C Q67524 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.48 CSC1=C(Cl)C=C(C(=O)O)C=C1 N25372 [1,1,0,0,0,0|1,1,0]=4 201 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C N25880 [1,1,0,0,0,0|1,1,0]=4 202 B12R1.48 O=CC1=CC=C(C(=O)O)C=C1O P37037 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.114 CCOC1=C(F)C=C(C=O)C=C1 N25044 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.114 CCOC1=CC=C(C=O)C=C1Br Q66291 [1,1,0,0,0,0|1,0,0]=3 205 B12R1.114 CCOC1=CC=C(C=O)C=C1Cl Q68068 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.114 CCOC1=NC=C(C=O)C=C1C N25554 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.301 COC1=C(Br)C=C(C=O)C=C1Br N24925 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.301 COC1=C(C)C=C(C=O)C=C1C Q67384 [1,1,0,0,0,0|0,0,0]=2 209 B12R1.301 COC1=C(Cl)C=C(C=O)C=C1Br Q66936 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.301 COC1=C(Cl)C=C(C=O)C=C1Cl Q67658 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.301 COC1=C(F)C=C(C=O)C=C1Cl Q67282 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.301 COC1=C(F)C=C(C=O)C=C1F Q67382 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.301 CSC1=C(F)C=C(C=O)C=C1F N26332 [1,1,0,0,0,0|1,1,0]=4 214 B12R1.450 COC1=C(Cl)C=C(C=O)C(F)=C1 N25987 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.450 COC1=C(F)C=C(C=O)C(F)=C1 Q67617 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.450 COC1=CC(Br)=C(OC)C=C1O Q67393 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.450 COC1=CC(C)=C(OC)C=C1Br Q67062 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.450 CSC1=C(F)C=C(C=O)C(F)=C1 N27682 [1,1,0,0,0,0|1,1,0]=4 219 B12R1.450 O=CC1=CC(O)=C(C=O)C=C1O P40109 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.452 CC1=CC(C=O)=CC=C1B(O)O K12330 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.452 CC1=CC(C=O)=CC=C1C(=O)O N26360 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.452 CC1=CC(C=O)=CC=C1[N+](=O)[O-] O30856 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.452 CC1=CC(C=O)=CN=C1N(C)C Q60288 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.452 CN(C)C1=CC=C(C=O)C=C1Br O32775 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.653 COC1=C(Cl)C(F)=C(C=O)C=C1 N26579 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.653 COC1=C(O)C(F)=C(C=O)C=C1 N25456 [1,1,0,0,0,0|0,0,0]=2 227 B12R1.653 COC1=CC=C(C=O)C(C)=C1C Q68423 [1,1,0,0,0,0|0,0,0]=2 228 B12R1.653 COC1=CC=C(C=O)C(F)=C1F Q66766 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.56 CC1=C(C#N)C=C(C(=O)O)C=C1 L20132 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 N24874 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.56 CCC1=C(Cl)C=CC(C(=O)O)=C1 N25337 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 Q53213 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.56 COC1=C(Cl)N=CC(C(N)=O)=C1 O29866 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 N25905 [1,1,0,0,0,0|1,0,1]=4 235 B12R1.56 COC1=CC(C(=O)O)=CC=C1Br Q66050 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl Q66690 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.56 COC1=CC(C(=O)O)=CC=C1F I-9256 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.56 COC1=CC(C(=O)O)=CN=C1Br N26442 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.56 COC1=CC(C(=O)O)=CN=C1Cl N25510 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.56 COC1=CC(C(=O)O)=CN=C1F N27051 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.56 COC1=CC(C(C)=O)=CC=C1F N24115 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.56 COC1=CC(C(C)=O)=CN=C1Br N27081 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.56 CSC1=CC(C(=O)O)=CC=C1Br Q68596 [1,1,0,0,0,0|1,1,0]=4 244 B12R1.56 CSC1=CC(C(=O)O)=CC=C1F N26479 [1,1,0,0,0,0|1,1,0]=4 245 B12R1.270 CCOC1=C(C)C=CC(C=O)=C1 N25935 [1,1,0,0,0,0|0,0,0]=2 246 B12R1.270 CCOC1=C(F)C=CC(C=O)=C1 N25433 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 N27419 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.300 COC1=C(F)C(F)=CC(C=O)=C1 Q68418 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.300 COC1=CC(C#N)=CC(C)=C1O C-3738 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.300 COC1=CC(CO)=CC(F)=C1O N27150 [1,1,0,0,0,0|0,0,2]=4 251 B12R1.449 COC1=C(F)C=C(F)C(C=O)=C1 N24747 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.449 COC1=CC(OC)=C(Cl)C=C1O N27260 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.453 CC(C)C1=C(Cl)C=CC(C=O)=C1 N26371 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.453 CC1=CC=C(C=O)C=C1B(O)O N25242 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.453 CC1=CC=C(C=O)C=C1C(=O)O N24954 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.453 O=CC1=CC=C(O)C(B(O)O)=C1 N24902 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.654 COC1=C(C)C=NC(C=O)=C1C Q60399 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.654 COC1=C(F)C(C=O)=CC=C1Cl Q67000 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.654 CSC1=C(F)C(C=O)=CC=C1Cl Q68499 [1,1,0,0,0,0|1,1,0]=4 260 B14R1.43 COC1=CC(C(=O)O)=CC=C1B(O)O N24321 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.43 COC1=CC(C(N)=O)=CC=C1B(O)O N25288 [0,2,0,0,0,0|2,0,0]=4 262 B14R1.577 COC1=CC(C=O)=CC(F)=C1B(O)O N26986 [0,2,0,0,0,0|2,0,0]=4 263 B14R1.2334 COC(=O)C1=CC=C(OC)C=C1OC Q68374 [0,2,0,0,0,0|2,0,0]=4 264 B14R1.793 COC1=CC=C(CCCN)C=C1OC P41140 [0,2,0,0,0,0|1,0,1]=4 265 B14R1.1864 COC(=O)C1=CC=C(CBr)C(OC)=C1 M23304 [0,2,0,0,0,0|2,0,0]=4 266 B14R1.1864 COC(=O)C1=CC=C(CO)C(OC)=C1 H-8085 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.1864 COC1=CC=C(C(=O)CBr)C=C1OC O31184 [0,2,0,0,0,0|0,0,0]=2 268 B14R1.1864 COC1=CC=C(C(=O)CN)C=C1OC P37076 [0,2,0,0,0,0|0,0,0]=2 269 B14R1.1864 COC1=CC=C([C@@H](N)CO)C=C1OC P42550 [0,2,0,0,0,0|0,0,2]=4 270 B14R1.1864 COC1=CC=C([C@H](N)CO)C=C1OC P42549 [0,2,0,0,0,0|0,0,2]=4 271 B14R1.3651 COC1=CC=C(NC(=N)N)C=C1OC L20986 [0,2,0,0,0,0|1,0,0]=3 272 B14R1.564 COC1=C(Br)C=C(C=O)C=C1B(O)O N24188 [0,2,0,0,0,0|2,0,0]=4 273 B14R1.101 COC1=C(OC(C)C)C=CC(C=O)=C1 N24141 [0,2,0,0,0,0|0,0,0]=2 274 B14R1.5237 CCOC1=CC=C(C=O)C=C1B(O)O Q66306 [0,2,0,0,0,0|2,0,0]=4 275 B14R1.6723 CCOC1=C(CC)C=C(C(=O)O)C=C1 N27439 [0,2,0,0,0,0|1,0,0]=3 276 B14R1.1851 COC1=C(OC)C=C(B(O)O)C(F)=C1 N25950 [0,2,0,0,0,0|1,0,1]=4 277 B14R1.1851 COC1=CC(F)=C(C(C)=O)C=C1OC N24573 [0,2,0,0,0,0|0,0,0]=2 278 B14R1.2282 COC1=NC(OC)=C(OC)C=C1C=O Q60271 [0,2,0,0,0,0|1,0,0]=3 279 B14R1.2310 COC1=C(OC)C(OC)=C(CBr)C=C1 N25267 [0,2,0,0,0,0|1,0,1]=4 280 B14R1.31 COC1=CC=C(C(=O)O)C=C1B(O)O Q66591 [0,2,0,0,0,0|2,0,0]=4 281 B14R1.31 COC1=CC=C(C(=O)O)C=C1C(C)C O29033 [0,2,0,0,0,0|1,0,0]=3 282 B14R1.31 COC1=CC=C(C(C)=O)C=C1B(O)O Q66346 [0,2,0,0,0,0|2,0,0]=4 283 B14R1.31 COC1=CC=C(C(N)=O)C=C1B(O)O N27140 [0,2,0,0,0,0|2,0,0]=4 284 B14R1.3720 COC1=CC=C(C=O)C=C1C(F)(F)F Q67098 [0,2,0,0,0,0|2,0,0]=4 285 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 P38383 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.24 BrC1=CC=C2NCCOC2=C1 O34410 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.24 IC1=CC2=C(C=C1)OCCC2 P36651 [1,0,0,1,0,0|2,0,0]=4 288 B12R2.24 OC1=CC=C2OCCOC2=C1 O33980 [1,0,0,1,0,0|0,0,1]=3 289 B12R2.44 O=CC1=CC=C2N=COC2=C1 O34161 [1,0,0,1,0,0|1,0,1]=4 290 B14R2.1747 COC1=CC=C(C=O)C2=C1NC=C2 Q54241 [0,1,0,1,0,0|1,0,1]=4 291 B14R2.1815 CC1=C2C=CC(C=O)=CC2=NN1C P44159 [0,1,0,1,0,0|2,0,0]=4 292 B14R2.2497 C(=O)C1=CC=C2NN=C(OC)C2=C1 Q56541 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.82 COC1=CC2=C(C=C1OC)NC=C2 O33325 [0,1,0,1,0,0|1,0,0]=3 294 B14R2.82 COC1=CC2=C(C=C1OC)NCC2 M15522 [0,1,0,1,0,0|1,0,1]=4 295 B14R2.3274 CC1=C(C)C2=C(C=CC(C=O)=C2)N1 Q54282 [0,1,0,1,0,0|2,0,0]=4 296 B14R2.3274 CC1=C2C=C(C=O)C=CC2=NN1C Q51872 [0,1,0,1,0,0|2,0,0]=4 297 B14R2.1128 O=CC1=C(Br)C=C2OCCOC2=C1 Q69653 [0,1,0,1,0,0|0,0,0]=2 298 B14R2.1128 O=CC1=C(Cl)C=C2OCCOC2=C1 Q69633 [0,1,0,1,0,0|0,0,0]=2 299 B14R2.1128 O=CC1=C(F)C=C2OCCOC2=C1 Q69654 [0,1,0,1,0,0|0,0,0]=2 300 B14R2.781 O=C(O)C1=CC=C2NCCOC2=C1 G-6601 [0,1,0,1,0,0|1,0,0]=3 301 B14R2.781 O=C(O)C1=CC=C2NCCSC2=C1 H-8653 [0,1,0,1,0,0|1,1,0]=4 302 B14R2.781 O=C(O)C1=CN=C2OCCOC2=C1 Q70111 [0,1,0,1,0,0|1,0,0]=3 303 B14R2.781 OB(O)C1=CC=C2OCCOC2=C1 Q66369 [0,1,0,1,0,0|1,0,1]=4 304 B12R1.58 C#CC1=CC(OC)=CC(OC)=C1 P40588 [0,0,0,0,1,1|1,0,1]=4 305 B12R1.58 COC1=CC(C#N)=CC(OC)=N1 Q62343 [0,0,0,0,1,1|1,0,1]=4 306 B12R1.58 COC1=CC(C=O)=CC(OC)=N1 O29090 [0,0,0,0,1,1|0,0,0]=2 307 B12R1.58 COC1=CC(CO)=CC(OC)=N1 O29107 [0,0,0,0,1,1|0,0,2]=4 308 B12R1.58 COC1=CC(OC)=NC(C=O)=N1 Q56409 [0,0,0,0,1,1|2,0,0]=4 309 B12R1.58 COC1=CC(OC)=NC(OC)=C1 N26326 [0,0,0,0,1,1|2,0,0]=4