0 B11R1.280 C#CC1=CC=C(O)C(C=O)=C1 M15283 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 CCC1=C(Cl)C=CC(C=O)=C1 N24684 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.280 CCC1=C(Cl)C=CC(CO)=C1 N25589 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.280 CCC1=C(Cl)C=CC(SC)=C1 N25736 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.280 CCC1=CC(OC)=CC=C1N O29373 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 N24454 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.280 COC1=C(Cl)N=CC(C#N)=C1 O30237 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.280 COC1=CC(C#N)=CC=C1Cl N24459 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.280 COC1=CC(C=O)=CC=C1Br O30813 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.280 COC1=CC(C=O)=CC=C1C Q66680 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.280 COC1=CC(C=O)=CN=C1Br N26263 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.280 COC1=CC(C=O)=CN=C1Cl N26264 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.280 COC1=CC(C=O)=CN=C1F N25807 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.280 COC1=CC(C=O)=NC=C1C S72552 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.280 COC1=CC(CN)=CC=C1C O32190 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.280 COC1=CC(CO)=CC=C1Br N24448 [0,0,0,0,0,0|1,0,2]=3 16 B11R1.280 COC1=CC(CO)=CC=C1C P37968 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.280 COC1=CC(CO)=CC=C1F Q67723 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.280 COC1=CC(CO)=CN=C1Br N27808 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.280 COC1=CC(CO)=CN=C1Cl N25712 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.280 COC1=CC(OC)=NC=C1Cl N27747 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.280 COC1=CC(SC)=CC=C1F Q68737 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.280 COC1=CC=C(Br)C(OC)=N1 Q67120 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.280 COC1=CC=C(Cl)C(OC)=N1 N24259 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.280 COC1=CC=C(F)C(SC)=C1 N26979 [0,0,0,0,0,0|3,1,0]=4 25 B11R1.280 COC1=CC=C(I)C(OC)=N1 N26890 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.280 COC1=CC=C(O)C(CO)=C1 Q68387 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.280 COC1=CC=C(O)C(OC)=N1 N26055 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.280 CSC1=C(C)C=CC(C=O)=C1 N27220 [0,0,0,0,0,0|1,1,0]=2 29 B11R1.280 CSC1=C(F)C=CC(C=O)=C1 N27188 [0,0,0,0,0,0|1,1,0]=2 30 B11R1.280 CSC1=C(F)C=CC(CO)=C1 N27002 [0,0,0,0,0,0|1,1,2]=4 31 B11R1.280 CSC1=CC(C=O)=CC=C1Br Q68493 [0,0,0,0,0,0|1,1,0]=2 32 B11R1.280 N#CC1=CC(C=O)=CN=C1Cl Q62416 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.30 CC1=CC=C(O)C(CO)=C1 N26156 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.30 CCC1=C(O)C=CC(Br)=C1 N24526 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.30 CCC1=CC(Br)=CC=C1Cl Q66646 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.30 CCC1=CC(F)=CC=C1N O29402 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.30 CNC1=CC(Br)=CC=C1N O31722 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.30 COC1=C(Br)C=CC(N)=N1 M15770 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.30 COC1=C(C)C=CC(O)=C1 N24341 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.30 COC1=C(Cl)C=CC(O)=C1 N24761 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.30 COC1=C(Cl)N=CC(O)=C1 I-9680 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.30 COC1=C(N)C=NC(Cl)=C1 O29809 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.30 COC1=CC(Br)=CC=C1I Q67115 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.30 COC1=CC(Br)=CN=C1Br N26162 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.30 COC1=CC(Br)=CN=C1C Q52072 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.30 COC1=CC(Br)=CN=C1Cl O31933 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.30 COC1=CC(Br)=CN=C1F Q66585 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.30 COC1=CC(Br)=CN=C1N N24242 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.30 COC1=CC(Br)=NC=C1Br N26243 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.30 COC1=CC(C)=CC=C1Br Q66623 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.30 COC1=CC(C)=CN=C1F N26395 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.30 COC1=CC(Cl)=CC=C1N O30871 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.30 COC1=CC(Cl)=CN=C1F N24981 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.30 COC1=CC(Cl)=NC=C1Br N25676 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.30 COC1=CC(Cl)=NC=C1Cl N25965 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.30 COC1=CC(Cl)=NC=C1F O32147 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.30 COC1=CC(F)=CC=C1I N24671 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.30 COC1=CC(F)=CC=C1N Q65477 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.30 COC1=CC(F)=CN=C1Br O29528 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.30 COC1=CC(O)=CC=C1Br Q67374 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.30 COC1=CC(O)=CN=C1Br N26421 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.30 COC1=CC(O)=CN=C1F N25711 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.30 COC1=NC(Br)=CC=C1N O30738 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.30 COC1=NC(C)=CC=C1Br Q57208 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.30 COC1=NC(I)=CC=C1O L20850 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.30 CSC1=C(C)C=CC(Br)=C1 N24432 [1,0,0,0,0,0|2,1,0]=4 67 B10R1.30 CSC1=CC(Br)=CC=C1Br N24626 [1,0,0,0,0,0|2,1,0]=4 68 B10R1.30 CSC1=CC(Br)=CC=C1F Q67732 [1,0,0,0,0,0|2,1,0]=4 69 B10R1.30 CSC1=CC(C)=CC=C1Br N27752 [1,0,0,0,0,0|1,1,1]=4 70 B10R1.30 CSC1=CC(C)=CC=C1Cl N27754 [1,0,0,0,0,0|1,1,1]=4 71 B10R1.30 CSC1=CC(C)=CC=C1F N27723 [1,0,0,0,0,0|1,1,1]=4 72 B10R1.30 CSC1=CC(I)=CC=C1Br N24878 [1,0,0,0,0,0|2,1,0]=4 73 B10R1.30 O=C1C=CC(=O)C(CO)=C1 P43227 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.172 C#CC1=CC(C=O)=CC=C1 O27970 [1,0,0,0,0,0|1,0,1]=3 75 B10R1.172 C#CC1=CC(NC)=CC=C1 M22825 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.172 C#CC1=CC=CC(SC)=C1 L20201 [1,0,0,0,0,0|1,1,1]=4 77 B10R1.172 C=CC1=NC(C=O)=CC=C1 Q52934 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.172 C=CC1=NC(OC)=CC=C1 Q65665 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.172 CCC1=CC(C=O)=CC=C1 Q67834 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.172 CCC1=CC=CC(CO)=C1 N25577 [1,0,0,0,0,0|1,0,2]=4 81 B10R1.172 CCC1=CC=CC(SC)=C1 N25802 [1,0,0,0,0,0|1,1,1]=4 82 B10R1.172 CCC1=NC(C=O)=CC=C1 Q60374 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.172 CCC1=NC(OC)=CC=C1 N25274 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.172 COC1=CC(C#N)=NC=C1 10122 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.172 COC1=CC(C=O)=NC=C1 O30611 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.172 COC1=CC(CCl)=NC=C1 S72465 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.172 COC1=CC(CN)=CC=N1 C-3608 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.172 COC1=CC(CN)=NC=C1 O31065 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.172 COC1=CC(CN)=NC=C1 P40117 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.172 COC1=CC(OC)=NC=C1 Q67614 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.172 COC1=CC(SC)=CN=C1 N25653 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.172 COC1=CC=CC(C=O)=N1 Q67244 [1,0,0,0,0,0|1,0,0]=2 93 B10R1.172 COC1=CC=CC(CN)=N1 O30234 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.172 COC1=CC=CC(CN)=N1 O30597 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.172 COC1=CN=CC(C=O)=C1 G-6116 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.172 COC1=CN=CC(CN)=C1 G-7874 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.172 COC1=CN=CC(CO)=C1 N24537 [1,0,0,0,0,0|1,0,2]=4 98 B10R1.172 COC1=CN=CC(OC)=C1 Q67567 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.172 COC1=NC=CC(C=O)=C1 G-5573 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.172 COC1=NC=CC(CCl)=C1 L22218 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.172 COC1=NC=CC(CN)=C1 O30315 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.172 COC1=NC=CC(CO)=C1 C-3669 [1,0,0,0,0,0|1,0,2]=4 103 B10R1.172 COC1=NC=CC(SC)=C1 N25852 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.172 CSC1=NC(C=O)=CC=N1 L13677 [1,0,0,0,0,0|2,1,0]=4 105 B10R1.172 N#CC1=CC(C=O)=CN=C1 L22398 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.172 N#CC1=CC(C=O)=NC=C1 Q60335 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.172 N#CC1=NC(C=O)=CC=C1 Q56667 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.172 N#CC1=NC=CC(C=O)=C1 L21968 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.172 O=CC1=CC=CC(CO)=C1 O34201 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.172 O=CC1=NC(CO)=CC=C1 O30452 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.176 C=CC1=CC=C(F)C(F)=C1 P38224 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.176 CC1=C(Br)N=CC(C=O)=C1 N24668 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.176 CC1=C(C)N=CC(C=O)=C1 Q67397 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.176 CC1=C(Cl)C=CC(CN)=C1 A-961 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.176 CC1=C(Cl)C=CC(CO)=C1 N25889 [1,0,0,0,0,0|1,0,2]=4 116 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 Q66671 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.176 CC1=C(F)C=CC(C=O)=N1 L14295 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.176 CC1=C(F)N=CC(C=O)=C1 O30685 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.176 CC1=C(O)C=C(C=O)C=C1 N25292 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.176 CC1=CC(C=O)=CC=C1Br K13407 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.176 CC1=CC(C=O)=CC=C1Cl Q67363 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.176 CC1=CC(C=O)=CC=C1O Q68150 [1,0,0,0,0,0|0,0,0]=1 123 B10R1.176 CC1=CC(C=O)=CN=C1O Q60238 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.176 CC1=CC(C=O)=NC=C1Br N24978 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.176 CC1=CC(C=O)=NC=C1Cl N25470 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.176 CC1=CC(CN)=CC=C1Br P41109 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.176 CC1=CC(CO)=CC=C1Br N24431 [1,0,0,0,0,0|1,0,2]=4 128 B10R1.176 CC1=CC=C(C=O)C=C1Br Q67254 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.176 CC1=CC=C(C=O)C=C1Cl Q67635 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.176 CC1=CC=C(C=O)N=C1C Q60347 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.176 CC1=CN=C(C=O)C=C1Br H-8137 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.176 CC1=NC(C=O)=CC=C1Br N24846 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.176 CC1=NC(CN)=CC=C1O Q62258 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.176 CN1C=C(C=O)C=CC1=O S72506 [1,0,0,0,0,0|1,0,1]=3 135 B10R1.176 CN1C=CC(C=O)=CC1=O I-9722 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.176 COC1=CC=C(Br)C(O)=C1 Q66993 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.176 COC1=CC=C(C)C(O)=C1 Q67987 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.176 COC1=CC=C(F)C(O)=C1 Q67529 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.176 COC1=CC=C(N)C(O)=C1 M15200 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.176 COC1=CC=C(N)C(O)=C1 M15201 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.176 COC1=CC=C(O)C(C)=C1 Q67705 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.176 COC1=NC=C(O)C(C)=C1 N25924 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.176 CSC1=CC(O)=C(C)C=C1 N26961 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.176 CSC1=CC(O)=C(F)C=C1 N27741 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.176 CSC1=CC=C(Br)C(C)=C1 N24368 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.176 CSC1=CC=C(O)C(C)=C1 N24608 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.176 N#CC1=CC=C(O)C(I)=C1 O31643 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.176 N#CC1=CC=C(O)C(N)=C1 O30796 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.176 NC1=C(Cl)N=C(C=O)C=C1 Q52637 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.176 O=CC1=CC(Cl)=C(Cl)N=C1 N24947 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 Q60409 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.176 O=CC1=CC=C(F)C(O)=C1 Q67727 [1,0,0,0,0,0|1,0,0]=2 153 B10R1.176 O=CC1=NC(Cl)=C(Br)C=C1 O29867 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.176 OCC1=CC(O)=C(F)C=C1 N25036 [1,0,0,0,0,0|1,0,2]=4 155 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 N25640 [1,0,0,0,0,0|1,0,2]=4 156 B10R1.176 OCC1=CC=C(O)C(Br)=C1 Q68849 [1,0,0,0,0,0|1,0,2]=4 157 B12R1.56 CC1=C(C#N)C=C(C(=O)O)C=C1 L20132 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 N24874 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.56 CCC1=C(Cl)C=CC(C(=O)O)=C1 N25337 [0,1,0,0,0,0|2,0,0]=3 160 B12R1.56 COC1=C(Br)C=CC(B(O)O)=C1 N25139 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 Q53213 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.56 COC1=C(Cl)N=CC(C(N)=O)=C1 O29866 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 N25905 [0,1,0,0,0,0|1,0,1]=3 164 B12R1.56 COC1=CC(B(O)O)=CC=C1Cl Q67284 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.56 COC1=CC(B(O)O)=CC=C1F Q66981 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.56 COC1=CC(C(=O)O)=CC=C1Br Q66050 [0,1,0,0,0,0|1,0,0]=2 167 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl Q66690 [0,1,0,0,0,0|1,0,0]=2 168 B12R1.56 COC1=CC(C(=O)O)=CC=C1F I-9256 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.56 COC1=CC(C(=O)O)=CN=C1Br N26442 [0,1,0,0,0,0|2,0,0]=3 170 B12R1.56 COC1=CC(C(=O)O)=CN=C1Cl N25510 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.56 COC1=CC(C(=O)O)=CN=C1F N27051 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.56 COC1=CC(C(C)=O)=CC=C1F N24115 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.56 COC1=CC(C(C)=O)=CN=C1Br N27081 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.56 COC1=NC(C(C)=O)=NC=C1F O32120 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.56 COC1=NC(C(C)C)=CC=C1O Q68847 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.56 CSC1=CC(C(=O)O)=CC=C1Br Q68596 [0,1,0,0,0,0|1,1,0]=3 177 B12R1.56 CSC1=CC(C(=O)O)=CC=C1F N26479 [0,1,0,0,0,0|1,1,0]=3 178 B12R1.56 O=CC1=CC(C(=O)O)=CC=C1Br P43210 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 P38107 [0,1,0,0,0,0|1,0,1]=3 180 B12R1.78 CCC1=C(C#N)C=CC(C=O)=C1 N27703 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 N25709 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.78 COC1=C(CN)C=C(C=O)C=C1 L21072 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 Q60225 [0,1,0,0,0,0|1,0,0]=2 184 B12R1.78 COC1=C(OC)N=C(CN)C=C1 L21831 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.78 COC1=CC(C=O)=CN=C1OC Q68344 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.78 COC1=CC=C(CO)C(OC)=N1 Q67809 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.270 CCOC1=C(C)C=CC(C=O)=C1 N25935 [0,1,0,0,0,0|1,0,0]=2 188 B12R1.270 CCOC1=C(F)C=CC(C=O)=C1 N25433 [0,1,0,0,0,0|1,0,0]=2 189 B12R1.270 COCC1=CC(OC)=CC=C1Br N25290 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 N27419 [0,1,0,0,0,0|1,0,0]=2 191 B12R1.300 COC1=C(F)C(F)=CC(C=O)=C1 Q68418 [0,1,0,0,0,0|1,0,0]=2 192 B12R1.300 COC1=CC(C#N)=CC(C)=C1O C-3738 [0,1,0,0,0,0|1,0,1]=3 193 B12R1.300 COC1=CC(CO)=CC(F)=C1F Q68419 [0,1,0,0,0,0|1,0,2]=4 194 B12R1.300 COC1=CC(CO)=CC(F)=C1O N27150 [0,1,0,0,0,0|0,0,2]=3 195 B12R1.449 COC1=C(F)C=C(F)C(C=O)=C1 N24747 [0,1,0,0,0,0|1,0,0]=2 196 B12R1.449 COC1=C(F)C=C(F)C(CO)=C1 N26115 [0,1,0,0,0,0|1,0,2]=4 197 B12R1.449 COC1=CC(OC)=C(Br)C=C1Br N25210 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.449 COC1=CC(OC)=C(Cl)C=C1Br N27357 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.449 COC1=CC(OC)=C(Cl)C=C1O N27260 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.449 COC1=NC(OC)=C(O)C=C1Br N27500 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.453 CC(C)C1=C(Cl)C=CC(C=O)=C1 N26371 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.453 CC1=CC=C(C=O)C=C1B(O)O N25242 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.453 CC1=CC=C(C=O)C=C1C(=O)O N24954 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.453 COC1=CC=C(O)C(C(C)C)=C1 N26088 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.453 O=CC1=CC(C(=O)O)=C(F)C=C1 N24848 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.453 O=CC1=CC=C(Br)C(C(=O)O)=C1 P43470 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.453 O=CC1=CC=C(Br)C([N+](=O)[O-])=C1 Q67258 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.453 O=CC1=CC=C(Cl)C(C(=O)O)=C1 Q68578 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.453 O=CC1=CC=C(F)C(B(O)O)=C1 P38601 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.453 O=CC1=CC=C(O)C(B(O)O)=C1 N24902 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.654 COC1=C(Br)C(SC)=CC=C1F N27505 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.654 COC1=C(C)C=NC(C=O)=C1C Q60399 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.654 COC1=C(Cl)C=CC(CO)=C1F N24308 [0,1,0,0,0,0|1,0,2]=4 214 B12R1.654 COC1=C(F)C(C=O)=CC=C1Cl Q67000 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.654 COC1=C(O)C(OC)=C(Br)C=C1 N26731 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.654 COC1=CC=C(Br)C(OC)=C1F N26957 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.654 COC1=CC=C(N)C(OC)=C1F N24629 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.654 CSC1=C(F)C(C=O)=CC=C1Cl Q68499 [0,1,0,0,0,0|1,1,0]=3 219 B12R1.654 N#CC1=C(Cl)C(C=O)=CC=C1Cl Q68459 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.654 N#CC1=C(F)C=CC(C=O)=C1F Q68481 [0,1,0,0,0,0|3,0,0]=4 221 B12R2.44 C(=O)C1=CC=C2NN=CC2=C1 C-2059 [0,0,0,1,0,0|3,0,0]=4 222 B12R2.44 C(=O)C1=CN=C2C=COC2=C1 Q64348 [0,0,0,1,0,0|2,0,1]=4 223 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 A-870 [0,0,0,1,0,0|1,1,1]=4 224 B12R2.44 O=CC1=CC2=C(C=N1)OC=C2 A-645 [0,0,0,1,0,0|2,0,1]=4 225 B12R2.44 O=CC1=CC=C2C=NNC2=C1 C-2062 [0,0,0,1,0,0|3,0,0]=4 226 B12R2.44 O=CC1=CC=C2N=COC2=C1 O34161 [0,0,0,1,0,0|1,0,1]=3 227 B9R1.2 C#CC1=CC(O)=CC=C1 P42883 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.2 C#CC1=CC=CC(C)=C1 P36176 [2,0,0,0,0,0|1,0,1]=4 229 B9R1.2 C(=O)C1=CC=CC(Br)=N1 C-3289 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.2 C(=O)C1=CC=NC(Cl)=C1 C-3314 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.2 C=CC1=CN=CC(C)=C1 O31501 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.2 CC1=CC(C=O)=NC=C1 O31911 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.2 CC1=CC(C=O)=NC=N1 Q60298 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.2 CC1=CC=NC(C=O)=N1 P44430 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.2 CC1=CN=CC(C=O)=C1 M15605 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.2 CNC1=CC(O)=CC=C1 P41161 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.2 CNC1=CC=CC(I)=C1 P37043 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.2 COC1=CC(C)=CN=C1 N25271 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.2 COC1=CC(F)=NC=C1 Q67856 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.2 COC1=CC(N)=CN=C1 Q56314 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.2 COC1=CC=CC(I)=N1 O32550 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.2 COC1=CN=CC(Cl)=C1 S70722 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.2 COC1=CN=CC(N)=C1 G-6107 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.2 COC1=CN=CC(O)=C1 O31805 [2,0,0,0,0,0|1,0,1]=4 245 B9R1.2 COC1=NC=CC(Br)=C1 Q67517 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.2 COC1=NC=CC(Cl)=C1 Q68014 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.2 COC1=NC=CC(I)=C1 Q67717 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.2 COC1=NC=CC(N)=C1 G-5580 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.2 COC1=NC=CC(O)=C1 N25339 [2,0,0,0,0,0|1,0,1]=4 250 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.2 NC1=NC(C=O)=CC=C1 Q53329 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.2 NC1=NC=CC(C=O)=C1 G-5572 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.2 NCC1=CC(O)=CC=C1 P36367 [2,0,0,0,0,0|1,0,1]=4 254 B9R1.2 O=CC1=CC(Cl)=CN=C1 L21834 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.2 O=CC1=CC(F)=CN=C1 C-3502 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.2 O=CC1=CC(F)=NC=C1 Q66309 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.2 O=CC1=CC(O)=CN=C1 O31574 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.2 O=CC1=NC=CC(Cl)=C1 G-5341 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.2 O=CC1=NC=CC(F)=C1 Q56665 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.2 O=CC1=NC=CC(O)=C1 Q53140 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.2 O=CC1=NC=NC(O)=C1 S72508 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.2 OC1=CC=CC(CBr)=C1 O29845 [2,0,0,0,0,0|1,0,1]=4 263 B9R1.15 C#CC1=CC=CC=C1O O30353 [2,0,0,0,0,0|1,0,1]=4 264 B9R1.15 COC1=C(Br)C=CN=C1 H-8447 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.15 COC1=C(Br)C=CN=C1 O30229 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.15 COC1=C(Br)C=NC=C1 O30836 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.15 COC1=C(I)C=NC=C1 N24568 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.15 COC1=C(N)C=CN=C1 I-9880 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.15 COC1=C(N)C=NC=C1 O31833 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.15 COC1=C(O)C=NC=C1 O30206 [2,0,0,0,0,0|1,0,0]=3 271 B9R1.15 COC1=C(O)N=CN=C1 Q54677 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.15 COC1=CC=CN=C1Br Q70056 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.15 COC1=CC=CN=C1Cl Q67413 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.15 COC1=CC=CN=C1F Q67464 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.15 COC1=CC=CN=C1N Q67917 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.15 COC1=NC=CC=C1Br Q66368 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.15 COC1=NC=CC=C1Cl Q67093 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.15 COC1=NC=CC=C1O Q67611 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.69 CC1=C(O)C=C(I)C=C1 N25358 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.69 CC1=C(O)C=NC(N)=C1 Q62481 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.69 CC1=CC(Br)=NC=C1O N25753 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.69 CC1=CC(Cl)=NC=C1O N24851 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.69 CC1=CC(F)=NC=C1O N24453 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.69 CC1=CC(S)=CC=C1O O29326 [2,0,0,0,0,0|0,1,0]=3 285 B9R1.69 CC1=CC=C(Br)C(O)=C1 Q66624 [2,0,0,0,0,0|1,0,1]=4 286 B9R1.69 CC1=CC=C(O)C=C1O Q67730 [2,0,0,0,0,0|1,0,1]=4 287 B9R1.69 CC1=NC(Br)=CC=C1O N24808 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.69 CC1=NC(Cl)=CC=C1O N25213 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.69 CC1=NC(F)=CC=C1O N24634 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.69 CC1=NC(N)=CC=C1O Q62482 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.69 OC1=C(Br)C=CC(Br)=C1 N24223 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.69 OC1=C(F)C=CC(I)=C1 N25346 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.69 OC1=CC(I)=CC=C1Br N25131 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.69 OC1=CC=C(O)C(S)=C1 O31512 [2,0,0,0,0,0|0,1,1]=4 295 B9R1.1 C(=O)C1=CN=C(Cl)C=C1 E-3026 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.1 CC1=CN=C(C=O)C=C1 Q67276 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.1 CC1=NC=C(C=O)C=C1 C-2363 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.1 NC1=CC=C(C=O)C=N1 L13611 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.1 O=CC1=CC=C(O)C=N1 P44434 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.1 O=CC1=CN=C(F)C=C1 P50975 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.1 O=CC1=NC=C(Cl)C=C1 Q67275 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.1 O=CC1=NC=C(F)C=C1 O30696 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.1 O=CC1=NN=C(O)C=C1 O30370 [2,0,0,0,0,0|2,0,0]=4 305 B11R1.8 COC1=C(Cl)C(Br)=CC(Cl)=C1 O29170 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.8 COC1=C(Cl)C(F)=CC(Br)=C1 Q67780 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.8 COC1=C(Cl)C(O)=CC(Cl)=C1 O29075 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.8 COC1=C(F)C(C)=CC(Br)=C1 N24869 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.8 COC1=C(F)C(F)=CC(O)=C1 N26071 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.8 COC1=C(I)C(Cl)=CC(Br)=C1 P51235 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.8 COC1=C(O)C(C)=CC(Br)=C1 C-2954 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.8 COC1=C(O)C(F)=CC(Br)=C1 Q68415 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.8 COC1=CC(Br)=CC(F)=C1I Q67781 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.8 COC1=CC(C)=CC(F)=C1O N26988 [1,1,0,0,0,0|0,0,1]=3 315 B11R1.8 COC1=CC(N)=CC(F)=C1F M23579 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.37 C#CC1=CC=C(O)C=C1OC H-8968 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.37 CCC1=C(CO)C=CC(Br)=C1 N25543 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 N25578 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.37 COC1=C(SC)C=C(Br)C=C1 N26499 [1,1,0,0,0,0|1,1,0]=4 320 B11R1.37 COC1=CC(Br)=CC=C1CO P40595 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.37 COC1=CC(Br)=CN=C1OC N24787 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.37 COC1=CC(C)=CC=C1C=O Q67836 [1,1,0,0,0,0|0,0,2]=4 323 B11R1.37 COC1=CC(C)=CC=C1CO O29222 [1,1,0,0,0,0|0,0,1]=3 324 B11R1.37 COC1=CC(F)=CC=C1C=O Q67688 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.37 COC1=CC(F)=CC=C1CO N24144 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.37 COC1=CC(F)=CC=C1SC N25416 [1,1,0,0,0,0|1,1,0]=4 327 B11R1.37 COC1=CC(O)=CC=C1C=O Q68147 [1,1,0,0,0,0|0,0,2]=4 328 B11R1.37 COC1=CC=C(Br)N=C1OC Q52797 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.37 COC1=CC=C(O)C=C1OC Q67095 [1,1,0,0,0,0|0,0,1]=3 330 B11R1.37 COC1=CN=C(N)C=C1OC K12314 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.72 COC1=C(Br)C(C)=CC=C1F N24322 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.72 COC1=C(Br)C=CC(C)=C1F N24545 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.72 COC1=C(Br)C=CC(F)=C1F N24437 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.72 COC1=C(Br)C=CC(F)=C1O Q68069 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.72 COC1=C(C)C(F)=CC=C1Br Q68637 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.72 COC1=C(Cl)C(C)=CC=C1Br Q68401 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.72 COC1=C(Cl)C(Cl)=CC=C1Br N26601 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.72 COC1=C(Cl)C(F)=CC=C1Br Q68558 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.72 COC1=C(Cl)C=CC(Br)=C1Cl N25072 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.72 COC1=C(Cl)C=CC(O)=C1F N27675 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.72 COC1=C(F)C(Br)=CC=C1Cl Q67454 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.72 COC1=C(F)C(Br)=CC=C1F N25500 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.72 COC1=C(F)C(Cl)=CC=C1Br N25536 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.72 COC1=C(F)C(F)=CC=C1O N25462 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.72 COC1=C(F)C=CC(Cl)=C1Cl Q68579 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.72 COC1=C(I)C(F)=CC=C1Br Q67823 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.72 COC1=C(N)C=CC(F)=C1F N24592 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.72 COC1=C(O)C(F)=CC=C1C N26730 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.72 COC1=C(O)C(F)=CC=C1Cl N25151 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.72 COC1=C(O)C(F)=CC=C1F N25812 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.72 COC1=C(O)C=CC(C)=C1Cl N26728 [1,1,0,0,0,0|0,0,1]=3 352 B11R1.72 COC1=C(O)C=CC(Cl)=C1Cl N27805 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.167 CC(C)C1=CC(Br)=CC=C1O Q67880 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.182 CCOC1=C(Br)C=CC(Br)=C1 N25686 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.182 CCOC1=C(Br)C=CC(O)=C1 H-8355 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.182 CCOC1=C(Cl)C=CC(Br)=C1 N24921 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.182 CCOC1=CC(Br)=CC=C1C Q66415 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.182 CCOC1=CC(Br)=CC=C1F Q67057 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.182 CCOC1=CC(C)=CC=C1Br N27758 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.182 CCOC1=CC(F)=CC=C1Br Q67521 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.277 COC1=C(Br)C=C(C)C(N)=C1 O34338 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.277 COC1=C(Br)C=C(N)C(C)=C1 L21641 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.277 COC1=C(Cl)C=C(Br)C(F)=C1 N25121 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.277 COC1=C(Cl)C=C(O)C(F)=C1 N27218 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.277 COC1=C(F)C=C(O)C(F)=C1 N26060 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.277 COC1=CC(=O)N(C)C=C1Br Q69770 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.277 COC1=CC(Br)=C(F)C=C1F N25839 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.277 COC1=CC(Br)=C(F)C=C1O Q67687 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.277 COC1=CC(C)=C(C)C=C1Br N27766 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.277 COC1=CC(Cl)=C(Br)C=C1N M15872 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.277 COC1=CC(Cl)=C(I)C=C1N Q69284 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.277 COC1=CC(F)=C(F)C=C1I N26401 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.277 COC1=CC(F)=C(F)C=C1O N24487 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.9 CCC1=NC(C)=CC(C=O)=C1 Q60463 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.9 COC1=CC(Br)=CC(C#N)=C1 F-4623 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.9 COC1=CC(C)=CC(C=O)=C1 N25376 [1,1,0,0,0,0|0,0,0]=2 377 B11R1.9 COC1=CC(C)=CC(CO)=C1 N25630 [1,1,0,0,0,0|0,0,2]=4 378 B11R1.9 COC1=CC(C)=NC(C=O)=N1 Q60438 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.9 COC1=CC(C=O)=CC(Br)=C1 F-4624 [1,1,0,0,0,0|0,0,0]=2 380 B11R1.9 COC1=CC(C=O)=CC(F)=C1 Q67636 [1,1,0,0,0,0|0,0,0]=2 381 B11R1.9 COC1=CC(Cl)=CC(C=O)=C1 Q67280 [1,1,0,0,0,0|0,0,0]=2 382 B11R1.9 COC1=CC(Cl)=CC(CO)=C1 N26032 [1,1,0,0,0,0|0,0,2]=4 383 B11R1.9 COC1=CC(F)=CC(CO)=C1 N24382 [1,1,0,0,0,0|0,0,2]=4 384 B11R1.9 CSC1=CC(C=O)=CC(C)=C1 N26647 [1,1,0,0,0,0|0,1,0]=3 385 B11R1.9 CSC1=CC(F)=CC(C=O)=C1 N26522 [1,1,0,0,0,0|0,1,0]=3 386 B11R1.9 N#CC1=CC(C=O)=CC(F)=C1 O31966 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.189 CCNC1=CC=CC(OC)=C1 P38184 [1,1,0,0,0,0|1,0,1]=4 388 B11R1.189 CCOC1=CC=CC(C=O)=N1 Q60428 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.189 CCOC1=CN=CC(C=O)=C1 N25442 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.189 CCOC1=NC=CC(C=O)=C1 N27272 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.189 COC1=CC(CCBr)=CC=C1 P39742 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.189 COC1=CC(CON)=CC=C1 O31688 [1,1,0,0,0,0|0,0,2]=4 393 B11R1.189 COC1=CC=CC(CNN)=C1 C-3257 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 O28043 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.266 C#CC1=CC(C(C)=O)=CC=C1 O28811 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.266 C#CC1=CC(C(N)=O)=CC=C1 M23346 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.266 C=CC1=CC(C(=O)O)=CC=C1 P39070 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.266 CC(C)C1=CC(C=O)=CC=C1 Q68460 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.266 CCC1=CC(C(=O)O)=CC=C1 P37036 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 Q60534 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.266 CCC1=NC(C(=O)O)=CC=C1 Q60685 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.266 CNC1=CC(C(=O)O)=CC=C1 P37710 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.266 COC1=CC(C(=O)O)=CN=C1 Q67568 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.266 COC1=CC(C(C)=O)=NC=C1 O30173 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.266 COC1=CC=CC(C(=O)O)=N1 P39197 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.266 COC1=CC=CC(C(C)C)=C1 N26938 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.266 COC1=NC(C(=O)O)=CC=N1 Q62605 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.266 COC1=NC(C(=O)O)=NC=C1 Q60646 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.266 COC1=NC=CC(C(C)=O)=C1 O30294 [1,1,0,0,0,0|1,0,0]=3 410 B11R1.266 COC1=NN=CC(C(=O)O)=C1 L14279 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.266 CSC1=CN=CC(C(=O)O)=C1 N26072 [1,1,0,0,0,0|1,1,0]=4 412 B11R1.266 N#CC1=CC(C(N)=O)=CC=C1 P38673 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.266 NC(=O)C1=CC=CC(C=O)=C1 P41901 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 10633 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 O28911 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.266 NCC1=CC(C(N)=O)=CC=C1 O28730 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.266 O=C(O)C1=CC=CC(CS)=C1 P39077 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.267 COC1=C(Br)C(C=O)=CC=C1 N26077 [1,1,0,0,0,0|0,0,0]=2 419 B11R1.267 COC1=C(Cl)C(C=O)=CC=C1 Q67985 [1,1,0,0,0,0|0,0,0]=2 420 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 O29297 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 O29604 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.267 COC1=C(F)C(C=O)=CC=C1 Q67168 [1,1,0,0,0,0|0,0,0]=2 423 B11R1.267 COC1=C(F)C(CO)=CC=C1 Q67855 [1,1,0,0,0,0|0,0,2]=4 424 B11R1.267 COC1=C(N)C(CO)=CC=C1 P39904 [1,1,0,0,0,0|0,0,2]=4 425 B11R1.267 COC1=CC=CC(CBr)=C1F N24153 [1,1,0,0,0,0|1,0,1]=4 426 B11R1.267 COC1=CC=CC(CO)=C1Br N26130 [1,1,0,0,0,0|0,0,2]=4 427 B11R1.267 COC1=CC=CC(CO)=C1Cl N26406 [1,1,0,0,0,0|0,0,2]=4 428 B11R1.267 COC1=CC=CC(OC)=C1F N24357 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.267 COC1=CN=CC(C=O)=C1C N26440 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.267 COC1=NC=CC(C=O)=C1Cl Q67104 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.267 CSC1=C(C)C(C=O)=CN=C1 Q68086 [1,1,0,0,0,0|1,1,0]=4 432 B11R1.267 CSC1=CC=CC(C=O)=C1F N27097 [1,1,0,0,0,0|0,1,0]=3 433 B11R1.267 O=CC1=CC=CC(C=O)=C1Br O34175 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.14 CC1=C(F)C=C(C=O)C=C1F H-8822 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.14 CC1=CC(C#N)=CC(Cl)=C1O C-3211 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.14 CC1=CC(C=O)=CC(C)=C1Br Q67068 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.14 CC1=CC(C=O)=CC(C)=C1Cl N25389 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.14 CC1=CC(C=O)=CC(C)=C1F Q67677 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.14 CC1=CC(C=O)=CC(C)=C1I N27200 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.14 COC1=CC(C)=C(O)C(C)=C1 N24530 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.14 O=CC1=CC(Br)=C(F)C(F)=C1 N25405 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.14 O=CC1=CC(Cl)=C(Cl)C(Cl)=C1 Q68059 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.14 O=CC1=CC(Cl)=C(O)C(Br)=C1 Q66937 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.14 O=CC1=CC(Cl)=C(O)C(Cl)=C1 Q67942 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.14 O=CC1=CC(F)=C(Br)C(F)=C1 O30682 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.14 O=CC1=CC(F)=C(Cl)C(F)=C1 N24170 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.14 O=CC1=CC(F)=C(I)C(F)=C1 N25211 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.14 O=CC1=CC(F)=C(O)C(Cl)=C1 Q68394 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.14 O=CC1=CC(F)=C(O)C(F)=C1 Q67383 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 M15796 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.21 CC(=O)C1=CC=C(Cl)C(Br)=C1 Q66292 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 N25331 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.21 CC1=C(O)C=C(C(=O)O)C=N1 Q60795 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 N26054 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.21 CC1=C(O)N=CC(C(=O)O)=C1 L19518 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.21 CC1=CC(C(=O)Cl)=NC=C1Br N27305 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.21 CC1=CC(C(=O)O)=CN=C1Br Q66669 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q68802 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q69971 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl N25124 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.21 CC1=CC(C(=O)O)=CN=C1F Q66670 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br Q67785 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.21 CC1=CC(C(N)=O)=CC=C1N M15755 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.21 CC1=CC(C(N)=O)=NC=C1Br N25351 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.21 CC1=CC([N+](=O)[O-])=NC=C1O Q53101 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.21 CC1=CN=C(C(=O)O)C=C1C Q60799 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.21 CC1=NC(C(=O)Cl)=CC=C1Br N27313 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Q67308 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.21 CC1=NC(C(N)=O)=CC=C1Br N25229 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.21 CC1=NC([N+](=O)[O-])=CC=C1O O34208 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.21 CN1C=C(C(=O)O)C=CC1=O G-5206 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.21 NC1=C(O)C=C(C(=O)O)C=N1 L19943 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 A-871 [1,1,0,0,0,0|1,1,0]=4 474 B11R1.21 NC1=C(S)C=CC(C(=O)O)=C1 H-8774 [1,1,0,0,0,0|1,1,0]=4 475 B11R1.21 NC1=CC(C(=O)O)=CC=C1S K16116 [1,1,0,0,0,0|1,1,0]=4 476 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 P37038 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 K13440 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 Q60811 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 P45931 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.21 O=[N+]([O-])C1=CC=C(Br)C(O)=C1 O31196 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.192 CC1=C(F)C=CC(CC=O)=N1 Q53006 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.192 CC1=CC(SC#N)=CC=C1O P51027 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.192 OCCC1=CC=C(O)C(O)=C1 M15188 [1,1,0,0,0,0|0,0,2]=4 484 B11R1.278 CC1=C(Br)C=CC(C=O)=C1C N24914 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.278 CC1=C(C=O)C=CC(Br)=C1Cl N24498 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.278 CC1=C(C=O)C=CC(F)=C1F N25179 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.278 CC1=C(Cl)C(C)=C(C=O)C=C1 N26591 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.278 CC1=C(Cl)C=CC(C=O)=C1C N26172 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.278 CC1=C(Cl)C=CC(C=O)=C1F N26202 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.278 CC1=C(F)C(C=O)=CC=C1F Q67373 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.278 CC1=C(F)C(Cl)=CC=C1C=O Q68514 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.278 CC1=CC=C(C=O)C(C)=C1F O29158 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.278 CC1=CC=C(C=O)C(Cl)=C1Cl Q68314 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.278 CC1=CC=C(C=O)C(F)=C1F Q67247 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.278 CC1=NC=C(C=O)C(C)=C1C Q60344 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.278 O=CC1=C(Br)C(F)=C(F)C=C1 N25553 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.278 O=CC1=C(Cl)C(F)=C(F)C=C1 N26008 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.278 O=CC1=C(F)C(Cl)=C(Br)C=C1 N26051 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.278 O=CC1=C(F)C(F)=C(Cl)C=C1 N25752 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.278 O=CC1=C(F)C(F)=C(I)C=C1 N24991 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.278 O=CC1=CC=C(Br)C(F)=C1F Q67219 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.278 O=CC1=CC=C(Br)C(I)=C1F N26905 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.278 O=CC1=CC=C(Cl)C(Br)=C1O Q69467 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.278 O=CC1=CC=C(Cl)C(Cl)=C1F Q68658 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.278 O=CC1=CC=C(Cl)C(F)=C1Cl Q68316 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.278 O=CC1=CC=C(Cl)C(F)=C1O Q68474 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.278 O=CC1=CC=C(F)C(Br)=C1F N24621 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.278 O=CC1=CC=C(F)C(Cl)=C1F Q67833 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.278 O=CC1=CC=C(F)C(F)=C1O Q67574 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 O34034 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.279 COC1=CC=C(C=O)N=C1C N27704 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.279 COC1=CC=C(CO)C(C)=C1 N24982 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.279 COC1=CC=C(CO)C(O)=C1 N24302 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.279 COC1=CC=C(CO)C=C1C Q67936 [1,1,0,0,0,0|0,0,2]=4 515 B11R1.279 COC1=CC=C(OC)C(O)=C1 N24557 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.279 COC1=CN=C(C=O)C=C1Cl O29323 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.279 COC1=NC=C(C=O)C=C1Br Q67210 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.279 COC1=NC=C(C=O)C=C1C N25919 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.279 COC1=NC=C(C=O)C=C1Cl Q66656 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.279 CSC1=C(Cl)C=C(C=O)C=C1 N27211 [1,1,0,0,0,0|1,1,0]=4 521 B11R1.279 CSC1=C(F)C=C(C=O)C=C1 N25178 [1,1,0,0,0,0|1,1,0]=4 522 B11R1.279 CSC1=NC=C(C=O)C=C1C N26891 [1,1,0,0,0,0|1,1,0]=4 523 B11R1.279 N#CC1=CC=C(C=O)C=C1F Q67316 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.279 O=CC1=CC=C(C=O)C(I)=C1 Q69776 [1,1,0,0,0,0|1,0,1]=4 525 B13R1.13 CC(C)C1=C(Cl)C=CC(C(=O)O)=C1 N26234 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.49 CCC1=C(Cl)C=CC(C(=O)OC)=C1 N27009 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.49 COC(=O)C1=CC(OC)=C(Cl)C=C1 N24291 [0,2,0,0,0,0|1,0,0]=3 528 B13R1.49 COC(=O)C1=CC=C(F)C(OC)=C1 Q68270 [0,2,0,0,0,0|1,0,0]=3 529 B13R1.49 COC(=O)C1=CC=C(O)C(C#N)=C1 O31389 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.49 COC(=O)C1=CN=C(Br)C(OC)=C1 N26443 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.49 COC(=O)C1=CN=C(Cl)C(OC)=C1 N26045 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.49 COC(=O)C1=NC(OC)=C(Br)C=C1 Q53676 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.49 COC(=O)C1=NC(OC)=C(C)C=C1 M15464 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.49 COC(=O)C1=NC=C(Br)C(OC)=C1 L21936 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.50 COC1=C(O)C=CC(B(F)(F)F)=C1 N26741 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.50 COC1=CC(S(C)(=O)=O)=CC=C1Br M15840 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.50 COC1=CC(S(C)(=O)=O)=CC=C1N M15804 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.298 COC1=C(F)C(F)=CC(C(=O)O)=C1 N25323 [0,2,0,0,0,0|1,0,0]=3 539 B13R1.298 COC1=C(N)C(Br)=CC([N+](=O)[O-])=C1 O31797 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.298 COC1=CC([N+](=O)[O-])=CC(F)=C1F M23412 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.354 CCOC1=CC([N+](=O)[O-])=CC=C1Br P38135 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.651 CC1=C(N=O)C=C(C(C)C)C(O)=C1 P39479 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.651 COC1=C(Cl)C=C(N)C(C(=O)O)=C1 O29917 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.651 COC1=C(F)C=C(F)C(C(=O)O)=C1 N26209 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.651 COC1=C(F)C=C(N)C(C(=O)O)=C1 L21626 [0,2,0,0,0,0|1,0,0]=3 546 B13R1.3091 CCC1=C(C#N)C=CC(C(=O)O)=C1 N27749 [0,2,0,0,0,0|2,0,0]=4 547 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 P48493 [0,2,0,0,0,0|1,0,0]=3 548 B13R1.3091 COC1=C(C#N)C=NC(C(=O)O)=C1 Q55232 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.3091 COC1=C(C=O)C=C(C(=O)O)C=C1 N26082 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 Q60493 [0,2,0,0,0,0|1,0,0]=3 551 B13R1.3091 COC1=CC(C(=O)O)=CC=C1C#N O29918 [0,2,0,0,0,0|1,0,0]=3 552 B13R1.3091 COC1=CC(C(=O)O)=CC=C1CO H-8084 [0,2,0,0,0,0|0,0,0]=2 553 B13R1.3091 COC1=CC=C(C(=O)O)C=C1SC O29289 [0,2,0,0,0,0|0,1,0]=3 554 B13R1.3091 COC1=CC=C(C(C)N)C=C1OC P37764 [0,2,0,0,0,0|1,0,1]=4 555 B13R1.3230 COC1=C(F)C(C(=O)O)=CC=C1Cl Q68365 [0,2,0,0,0,0|1,0,0]=3 556 B13R1.3230 CSC1=C(F)C(C(=O)O)=CC=C1Cl Q68501 [0,2,0,0,0,0|1,1,0]=4 557 B13R1.99 COC1=CC(C=O)=CC=C1B(O)O N25542 [0,2,0,0,0,0|0,0,0]=2 558 B13R1.99 COC1=CC(CO)=CC=C1B(O)O N26258 [0,2,0,0,0,0|0,0,2]=4 559 B13R1.355 CCOC1=CC(C=O)=NC=C1CC S72487 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.355 CCOC1=CC(OC)=CC=C1CO N25024 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.355 COC1=C(CC#N)C=C(C=O)C=C1 L21069 [0,2,0,0,0,0|1,0,1]=4 562 B13R1.386 COC1=CC=C(CCBr)C=C1OC P38260 [0,2,0,0,0,0|1,0,1]=4 563 B13R1.434 COC1=CC(C=O)=CC(F)=C1OC N26205 [0,2,0,0,0,0|0,0,0]=2 564 B13R1.1249 CCOC1=C(CC)C=C(C=O)C=C1 N25410 [0,2,0,0,0,0|1,0,0]=3 565 B13R1.2200 COC1=C(OC)C=C(CO)C(Br)=C1 N24793 [0,2,0,0,0,0|0,0,2]=4 566 B13R1.2200 COC1=CC(C)=C(OC)C=C1C=O Q68416 [0,2,0,0,0,0|1,0,0]=3 567 B13R1.2200 COC1=CC(OC)=C(Br)C=C1CO N27205 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.2200 COC1=CC(OC)=C(Cl)C=C1CO S70632 [0,2,0,0,0,0|2,0,0]=4 569 B13R1.2430 COC1=C(C(C)C)C=C(C=O)C=C1 N26121 [0,2,0,0,0,0|1,0,0]=3 570 B13R1.97 CC(C)OC1=C(F)C=CC(C=O)=C1 N24763 [0,2,0,0,0,0|1,0,0]=3 571 B13R1.97 CC(C)OC1=CC(C=O)=CN=C1F N26939 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.97 O=CC1=NC=C(Cl)C(OC(F)F)=C1 P43369 [0,2,0,0,0,0|2,0,0]=4 573 B13R1.97 O=CC1=NC=C(F)C(OC(F)F)=C1 P43371 [0,2,0,0,0,0|2,0,0]=4 574 B13R1.558 COCOC1=CC(C=O)=CC=C1C Q68607 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.2431 COC(=O)C1=C(O)C=CC(C#N)=C1 P45108 [0,2,0,0,0,0|1,0,1]=4 576 B13R1.3981 CCOC1=C(O)C(Br)=CC(C=O)=C1 Q65595 [0,2,0,0,0,0|0,0,0]=2 577 B13R1.52 COC1=CC(CC(=O)O)=CC=C1Br M23032 [0,2,0,0,0,0|1,0,0]=3 578 B13R1.52 COC1=CC(CC(=O)O)=CC=C1O O28989 [0,2,0,0,0,0|0,0,0]=2 579 B13R1.425 COC1=C(Cl)C(F)=C(F)C(C=O)=C1 N27374 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.83 COCC1=CC=C(C=O)C=C1 N25868 [0,0,1,1,0,0|1,0,1]=4 581 B11R2.36 ClC1=CC=C2OCCC2=C1 M15833 [1,0,0,1,0,0|2,0,0]=4 582 B11R2.36 FC1=CC=C2OCCC2=C1 Q65592 [1,0,0,1,0,0|2,0,0]=4 583 B11R2.36 NC1=CC=C2OCCC2=C1 M15806 [1,0,0,1,0,0|2,0,0]=4 584 B11R2.36 OC1=CC2=C(C=C1)OCC2 N25202 [1,0,0,1,0,0|1,0,1]=4 585 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 O32265 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.430 CC(N)C1=CC=C2OCOC2=C1 P42231 [0,1,0,1,0,0|1,0,1]=4 587 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 O30618 [0,1,0,1,0,0|1,0,1]=4 588 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 M15519 [0,1,0,1,0,0|1,0,1]=4 589 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 O30694 [0,1,0,1,0,0|1,0,1]=4 590 B13R2.57 BrCC1=CC=C2OCCOC2=C1 O29431 [0,1,0,1,0,0|1,0,1]=4 591 B13R2.57 O=CC1=CC2=C(C=C1)CCCO2 P43488 [0,1,0,1,0,0|1,0,0]=3 592 B13R2.57 O=CC1=CN=C2OCCOC2=C1 S72567 [0,1,0,1,0,0|1,0,0]=3 593 B13R2.57 O=CC1=NN=C2OCCOC2=C1 S72767 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.57 OCC1=CC=C2OCCOC2=C1 P38347 [0,1,0,1,0,0|0,0,2]=4 595 B13R2.669 CN1N=CC2=C1C=C(C=O)C=C2 O31129 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.2121 CC1=NC2=CC(C=O)=CC=C2S1 O34306 [0,1,0,1,0,0|1,1,0]=4 597 B13R2.2121 CN1C=C2C=C(C=O)C=CC2=N1 I-9973 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 P44006 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.2169 O=CC1=CC(C2CC2)=C(F)C=C1 N25615 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.121 COC1=C(Br)C=CC2=C1NC=C2 S72806 [0,1,0,1,0,0|2,0,0]=4 601 B13R2.121 COC1=C(Cl)C=CC2=C1NN=C2 Q54196 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.449 O=CCC1=CC2=C(C=C1)OCC2 S72762 [0,1,0,1,0,0|1,0,0]=3 603 B13R2.599 COC1=C(Cl)C=C2NN=CC2=C1 M15034 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 10544 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.599 COC1=C(F)C=C2NN=CC2=C1 Q55169 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.599 COC1=CC2=C(C=C1Br)NC=C2 L14158 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.599 COC1=CC2=C(C=C1Br)NN=C2 G-5615 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.599 COC1=CC2=C(C=C1Cl)NC=C2 M15069 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.599 COC1=CC2=C(C=C1F)NC=C2 G-7816 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.599 COC1=CC2=C(C=C1I)NN=C2 Q54520 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.599 COC1=CC2=C(C=C1N)NC=C2 M24095 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.599 COC1=CC2=C(C=CN2)C=C1C M15064 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.599 COC1=CC2=C(C=CN2)C=C1Cl Q54190 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.14 COC1=C(C=O)C=CS1 L14528 [1,0,0,0,1,0|1,0,0]=3 615 B9R1.14 COC1=NNC=C1C=O Q61775 [1,0,0,0,1,0|2,0,0]=4 616 B9R1.14 CSC1=C(C=O)C=CS1 N25993 [1,0,0,0,1,0|1,1,0]=4 617 B9R1.21 CCC1=CC=C(C=O)S1 Q68134 [1,0,0,0,1,0|2,0,0]=4 618 B9R1.21 CSC1=CC(C=O)=CS1 N25995 [1,0,0,0,1,0|1,1,0]=4 619 B9R1.23 CC1=C(Br)C=C(C=O)S1 N24807 [1,0,0,0,1,0|2,0,0]=4 620 B9R1.132 C(=O)C1=C(C)C(C)=CN1 C-3630 [1,0,0,0,1,0|2,0,0]=4 621 B11R1.265 COC1=C(Br)C=CC=C1C=O Q67032 [0,0,0,0,1,1|1,0,0]=3 622 B11R1.265 COC1=C(C)C=CC=C1C=O Q68397 [0,0,0,0,1,1|1,0,0]=3 623 B11R1.265 COC1=C(C)C=NC=C1C=O Q60439 [0,0,0,0,1,1|1,0,0]=3 624 B11R1.265 COC1=C(C=O)C=CC=C1O N25134 [0,0,0,0,1,1|0,0,0]=2 625 B11R1.265 COC1=C(F)C=CC=C1C=O Q67075 [0,0,0,0,1,1|1,0,0]=3 626 B11R1.265 COC1=C(OC)C(O)=CC=C1 Q67063 [0,0,0,0,1,1|2,0,0]=4 627 B11R1.265 CSC1=C(Br)C=CC=C1C=O N26549 [0,0,0,0,1,1|1,1,0]=4 628 B11R1.265 CSC1=C(C=O)C=CC=C1Cl N27225 [0,0,0,0,1,1|1,1,0]=4 629 B11R1.265 CSC1=C(F)C=CC=C1C=O Q68049 [0,0,0,0,1,1|1,1,0]=4