0 B10R1.172 C#CC1=CC(C#N)=CC=C1 O27977 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.172 C#CC1=CC(C=O)=CC=C1 O27970 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.172 C#CC1=CC(CN)=CC=C1 M22910 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.172 C#CC1=CC(NC)=CC=C1 M22825 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.172 C#CC1=CC=CC(SC)=C1 L20201 [0,0,0,0,0,0|1,1,1]=3 5 B10R1.172 C=CC1=NC(OC)=CC=C1 Q65665 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.172 CCC1=CC(C=O)=CC=C1 Q67834 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.172 CCC1=CC=CC(C#N)=N1 Q52057 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.172 CCC1=CC=CC(CC)=N1 O30631 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.172 CCC1=CC=CC(CO)=C1 N25577 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.172 CCC1=CC=CC(SC)=C1 N25802 [0,0,0,0,0,0|1,1,0]=2 11 B10R1.172 CCC1=NC(C=O)=CC=C1 Q60374 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.172 CCC1=NC(OC)=CC=C1 N25274 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.172 COC1=CC(C#N)=NC=C1 10122 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.172 COC1=CC(C=O)=NC=C1 O30611 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.172 COC1=CC(CCl)=NC=C1 S72465 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.172 COC1=CC(CN)=CC=N1 C-3608 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.172 COC1=CC(CN)=NC=C1 O31065 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.172 COC1=CC(CN)=NC=C1 P40117 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.172 COC1=CC(CN)=NC=N1 Q56344 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.172 COC1=CC(CN)=NC=N1 Q56345 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.172 COC1=CC(OC)=NC=C1 Q67614 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.172 COC1=CC(SC)=CN=C1 N25653 [0,0,0,0,0,0|1,1,0]=2 23 B10R1.172 COC1=CC=CC(C=O)=N1 Q67244 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.172 COC1=CC=CC(CN)=N1 O30234 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.172 COC1=CC=CC(CN)=N1 O30597 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.172 COC1=CC=NC(CN)=N1 L13016 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.172 COC1=CN=CC(C=O)=C1 G-6116 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.172 COC1=CN=CC(CN)=C1 G-7874 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.172 COC1=CN=CC(CO)=C1 N24537 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.172 COC1=CN=CC(OC)=C1 Q67567 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.172 COC1=NC(C#N)=NC=C1 L13743 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.172 COC1=NC(CN)=CC=N1 L22237 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.172 COC1=NC(CN)=NC=C1 Q55472 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.172 COC1=NC=CC(C=O)=C1 G-5573 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.172 COC1=NC=CC(CCl)=C1 L22218 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.172 COC1=NC=CC(CN)=C1 O30315 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.172 COC1=NC=CC(CN)=N1 O30142 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.172 COC1=NC=CC(CO)=C1 C-3669 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.172 COC1=NC=CC(CO)=N1 L13030 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.172 COC1=NC=CC(SC)=C1 N25852 [0,0,0,0,0,0|1,1,0]=2 41 B10R1.172 CSC1=CN=CC(SC)=C1 N25332 [0,0,0,0,0,0|1,2,0]=3 42 B10R1.172 N#CC1=CC=CC(CN)=C1 P42879 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.172 N#CC1=CC=CC(NN)=C1 O31167 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.172 O=CC1=CC=CC(CO)=C1 O34201 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.172 OCC1=CC=CC(CBr)=C1 P35928 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.172 OCC1=CC=CC(CCl)=C1 P40497 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.2 C#CC1=CC(C)=CN=C1 O30182 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.2 C#CC1=CC(C)=NC=C1 O31561 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.2 C#CC1=CC(O)=CC=C1 P42883 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.2 C#CC1=CC=CC(Br)=C1 O27910 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.2 C#CC1=CC=CC(C)=C1 P36176 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.2 C#CC1=NC(C)=CC=C1 I-9683 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.2 C#CC1=NC=CC(C)=C1 M22852 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.2 C=CC1=CN=CC(C)=C1 O31501 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.2 CC1=CC(C=O)=NC=C1 O31911 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.2 CC1=CC(CN)=CC=N1 Q62498 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.2 CC1=CC(CN)=NC=C1 O29857 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.2 CC1=CC(CN)=NC=C1 O31684 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.2 CC1=CC(NN)=NC=C1 O31163 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.2 CC1=CC=CC(CN)=N1 P35737 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.2 CC1=CC=CC(CN)=N1 P36768 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.2 CC1=CN=CC(C=O)=C1 M15605 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.2 CC1=CN=CC(CCl)=C1 O33584 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.2 CC1=CN=CC(CO)=C1 I-9425 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.2 CC1=NC=CC(C#N)=C1 H-8890 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.2 CC1=NC=CC(CN)=C1 O31522 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.2 CC1=NC=CC(CO)=C1 O30864 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.2 CCC1=CC(Br)=NC=C1 P45487 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.2 CCC1=CC=CC(Br)=N1 Q52717 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.2 CCC1=CC=CC(Cl)=N1 Q62319 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.2 CCC1=CC=CC(F)=N1 Q62318 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 CCC1=NC=CC(N)=C1 L18226 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.2 CNC1=CC(Br)=CN=C1 P51196 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 CNC1=CC(C)=CC=N1 Q58361 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.2 CNC1=CC(C)=CC=N1 Q58362 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.2 CNC1=CC(O)=CC=C1 P41161 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.2 CNC1=CC=CC(F)=N1 Q58333 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.2 CNC1=CC=CC(I)=C1 P37043 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.2 CNC1=NC=CC(I)=C1 N26836 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.2 COC1=CC(C)=CN=C1 N25271 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.2 COC1=CC(Cl)=NN=C1 G-7934 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.2 COC1=CC(F)=NC=C1 Q67856 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.2 COC1=CC(N)=CN=C1 Q56314 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.2 COC1=CC=CC(I)=N1 O32550 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.2 COC1=CC=NC(=S)N1 H-8155 [1,0,0,0,0,0|2,1,0]=4 86 B9R1.2 COC1=CC=NC(Br)=N1 S86521 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.2 COC1=CN=CC(Br)=N1 O30481 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.2 COC1=CN=CC(Cl)=C1 S70722 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.2 COC1=CN=CC(N)=C1 G-6107 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.2 COC1=CN=CC(N)=N1 O31831 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.2 COC1=CN=CC(O)=C1 O31805 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.2 COC1=NC(N)=CC=N1 C-2497 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.2 COC1=NC=CC(Br)=C1 Q67517 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.2 COC1=NC=CC(Br)=N1 I-9088 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.2 COC1=NC=CC(Cl)=C1 Q68014 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.2 COC1=NC=CC(Cl)=N1 L22353 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.2 COC1=NC=CC(I)=C1 Q67717 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.2 COC1=NC=CC(N)=C1 G-5580 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.2 COC1=NC=CC(O)=C1 N25339 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.2 COC1=NC=CC(O)=N1 O30030 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.2 CSC1=CC(F)=NC=C1 N26858 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.2 CSC1=CC=CC(Br)=N1 P51643 [1,0,0,0,0,0|2,1,0]=4 103 B9R1.2 CSC1=CN=CC(Br)=C1 Q67547 [1,0,0,0,0,0|2,1,0]=4 104 B9R1.2 CSC1=CN=CC(Cl)=C1 N26275 [1,0,0,0,0,0|2,1,0]=4 105 B9R1.2 CSC1=CN=CC(O)=C1 N26050 [1,0,0,0,0,0|1,1,0]=3 106 B9R1.2 N#CC1=CC(O)=CN=C1 E-3095 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.2 N#CC1=CC(O)=NC=C1 S72686 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.2 N#CC1=NC=CC(O)=C1 O29686 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.2 NCC1=CC(O)=CC=C1 P36367 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.2 NCC1=CC=CC(F)=C1 N26365 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.2 NCC1=NC=CC(O)=C1 O29566 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.2 O=CC1=CC(O)=CN=C1 O31574 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.2 O=CC1=NC=CC(O)=C1 Q53140 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.2 OC1=CC=CC(CBr)=C1 O29845 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.9 CCC1=CC(Br)=CC(CC)=N1 L22257 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.9 COC1=CC(Br)=CC(C#N)=C1 F-4623 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.9 COC1=CC(C#N)=NC(Cl)=C1 Q57194 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.9 COC1=CC(C)=CC(C=O)=C1 N25376 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.9 COC1=CC(C)=CC(CO)=C1 N25630 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.9 COC1=CC(C=O)=CC(Br)=C1 F-4624 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.9 COC1=CC(C=O)=CC(F)=C1 Q67636 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.9 COC1=CC(Cl)=CC(C=O)=C1 Q67280 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.9 COC1=CC(Cl)=CC(CO)=C1 N26032 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.9 COC1=CC(Cl)=NC(SC)=N1 O34006 [0,1,0,0,0,0|2,1,0]=4 126 B11R1.9 COC1=CC(F)=CC(CO)=C1 N24382 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.9 CSC1=CC(C=O)=CC(C)=C1 N26647 [0,1,0,0,0,0|2,1,0]=4 128 B11R1.9 CSC1=CC(F)=CC(C=O)=C1 N26522 [0,1,0,0,0,0|2,1,0]=4 129 B11R1.9 CSC1=CC(F)=CC(CO)=C1 N26387 [0,1,0,0,0,0|2,1,0]=4 130 B11R1.189 CCNC1=CC=CC(OC)=C1 P38184 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.189 CCOC1=CC=CC(C=O)=N1 Q60428 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.189 CCOC1=CN=CC(C=O)=C1 N25442 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.189 CCOC1=NC=CC(C=O)=C1 N27272 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.189 CNCC1=CC=CC(C#N)=C1 P35253 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.189 CNCC1=CC=CC(OC)=N1 Q58380 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.189 COC1=CC(CCBr)=CC=C1 P39742 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.189 COC1=CC(CON)=CC=C1 O31688 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.189 COC1=CC=CC(CCN)=N1 Q62431 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.189 COC1=CC=CC(CNN)=C1 C-3257 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.266 C#CC1=CC(C(C)=O)=CC=C1 O28811 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.266 CC(C)C1=CC(C=O)=CC=C1 Q68460 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.266 CC(C)C1=CC(CBr)=CC=C1 I-9079 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.266 CC(C)C1=CC(CO)=CC=C1 Q68461 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.266 CCC1=CC(B(O)O)=CC=C1 Q67300 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.266 CCC1=CC(C(=O)O)=CC=C1 P37036 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.266 CNC1=CC(C(=O)O)=CC=C1 P37710 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.266 COC1=CC(C(=O)O)=CN=C1 Q67568 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.266 COC1=CC(C(C)=O)=NC=C1 O30173 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.266 COC1=CC=CC(C(=O)O)=N1 P39197 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.266 COC1=CC=CC(C(C)C)=C1 N26938 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.266 COC1=CC=CC(C(C)C)=N1 Q67092 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.266 COC1=CN=CC(B(O)O)=C1 N24201 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.266 COC1=CN=CC(N(C)C)=C1 M23830 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.266 COC1=NC=CC(B(O)O)=C1 P36205 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.266 COC1=NC=CC(C(C)=O)=C1 O30294 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.267 COC1=C(Br)C(C=O)=CC=C1 N26077 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.267 COC1=C(Cl)C(C=O)=CC=C1 Q67985 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 O29297 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 O29604 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.267 COC1=C(F)C(C=O)=CC=C1 Q67168 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.267 COC1=C(F)C(CO)=CC=C1 Q67855 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.267 COC1=C(N)C(CO)=CC=C1 P39904 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.267 COC1=CC=CC(CBr)=C1F N24153 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.267 COC1=CC=CC(CO)=C1Br N26130 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.267 COC1=CC=CC(CO)=C1Cl N26406 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.267 COC1=CC=CC(OC)=C1F N24357 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.267 COC1=CN=CC(C=O)=C1C N26440 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.267 COC1=NC=CC(C=O)=C1Cl Q67104 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.267 COC1=NC=CC(CO)=C1Cl N27074 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.267 COC1=NC=CC(OC)=C1N O31443 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.267 CSC1=CC=CC(C=O)=C1F N27097 [0,1,0,0,0,0|2,1,0]=4 172 B11R1.280 C=CC1=CC(OC)=CC=C1N O30018 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.280 CCC1=C(Cl)C=CC(C=O)=C1 N24684 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.280 CCC1=C(Cl)C=CC(CO)=C1 N25589 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.280 CCC1=C(Cl)C=CC(SC)=C1 N25736 [0,1,0,0,0,0|1,1,0]=3 176 B11R1.280 CCC1=CC(OC)=CC=C1N O29373 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.280 CCC1=NC(OC)=CC=C1Br N26838 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 N24454 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.280 COC1=C(Cl)N=CC(C#N)=C1 O30237 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.280 COC1=CC(C#N)=C(Br)N=C1 Q52919 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.280 COC1=CC(C#N)=C(Cl)N=C1 G-7395 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.280 COC1=CC(C#N)=CC=C1Cl N24459 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.280 COC1=CC(C=O)=CC=C1Br O30813 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.280 COC1=CC(C=O)=CC=C1C Q66680 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.280 COC1=CC(C=O)=CN=C1Br N26263 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.280 COC1=CC(C=O)=CN=C1Cl N26264 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.280 COC1=CC(C=O)=CN=C1F N25807 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.280 COC1=CC(C=O)=NC=C1C S72552 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.280 COC1=CC(CN)=CC=C1C O32190 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.280 COC1=CC(CO)=CC=C1Br N24448 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.280 COC1=CC(CO)=CC=C1C P37968 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.280 COC1=CC(CO)=CC=C1F Q67723 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.280 COC1=CC(CO)=CN=C1Br N27808 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.280 COC1=CC(CO)=CN=C1Cl N25712 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.280 COC1=CC(OC)=NC=C1Cl N27747 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.280 COC1=CC(SC)=CC=C1F Q68737 [0,1,0,0,0,0|0,1,0]=2 197 B11R1.280 COC1=CC=C(Br)C(CO)=C1 N24471 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.280 COC1=CC=C(Br)C(OC)=N1 Q67120 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.280 COC1=CC=C(C)C(C=O)=C1 N25574 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.280 COC1=CC=C(C)C(CO)=C1 N26133 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.280 COC1=CC=C(Cl)C(C=O)=C1 Q67501 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.280 COC1=CC=C(Cl)C(C=O)=N1 Q60358 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.280 COC1=CC=C(Cl)C(OC)=N1 N24259 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.280 COC1=CC=C(F)C(CO)=C1 Q68155 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.280 COC1=CC=C(F)C(SC)=C1 N26979 [0,1,0,0,0,0|0,1,0]=2 206 B11R1.280 COC1=CC=C(I)C(OC)=N1 N26890 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.280 COC1=CC=C(O)C(CO)=C1 Q68387 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.280 COC1=CC=C(O)C(OC)=N1 N26055 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.280 COC1=CN=C(Br)C(C=O)=C1 O32045 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.280 COC1=CN=C(F)C(C=O)=C1 N25565 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.280 COC1=CN=C(F)C(CO)=C1 N26456 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.280 COC1=NC=C(Br)C(C=O)=C1 N24773 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.280 COC1=NC=C(Br)C(CO)=C1 N26099 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.280 COC1=NC=C(Br)C(SC)=C1 N26932 [0,1,0,0,0,0|1,1,0]=3 215 B11R1.280 COC1=NC=C(Cl)C(C=O)=C1 N25177 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.280 COC1=NC=C(Cl)C(CO)=C1 N27757 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.280 COC1=NC=C(Cl)C(OC)=N1 Q69433 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.280 CSC1=C(C)C=CC(C=O)=C1 N27220 [0,1,0,0,0,0|2,1,0]=4 219 B11R1.280 CSC1=C(F)C=CC(C=O)=C1 N27188 [0,1,0,0,0,0|2,1,0]=4 220 B11R1.280 CSC1=C(F)C=CC(CO)=C1 N27002 [0,1,0,0,0,0|2,1,0]=4 221 B11R1.280 CSC1=CC(C=O)=CC=C1Br Q68493 [0,1,0,0,0,0|2,1,0]=4 222 B11R1.280 CSC1=CC=C(F)C(C=O)=C1 N26913 [0,1,0,0,0,0|2,1,0]=4 223 B9R1.14 COC1=C(C=O)C=CS1 L14528 [0,0,0,0,1,0|3,0,0]=4 224 B8R1.2 COC1=CN=CN=C1 M15459 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 ICC1=CC=CC=C1 P37031 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.4 CC1=CC(C)=NC=N1 G-5958 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.4 CC1=CN=CC(Br)=C1 G-7029 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.4 CC1=CN=CC(F)=C1 P38200 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.4 CC1=CN=CC(N)=C1 S70885 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.4 CC1=CN=CC(O)=C1 O30725 [2,0,0,0,0,0|1,0,0]=3 231 B8R1.4 CC1=NC=CC(Cl)=C1 E-3106 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.4 CC1=NC=CC(O)=N1 P36692 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.4 NC1=NC(O)=CC=C1 Q68106 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.4 NC1=NC=CC(O)=C1 E-3010 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.4 OC1=CC(F)=NC=C1 E-3009 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.4 OC1=CN=CC(F)=C1 E-3008 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.4 OC1=NC=CC(F)=C1 S72531 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.2 CC1=C(Br)C(CN)=CC=C1 P41922 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.2 CC1=C(C=O)C=CC=C1O N24855 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.2 CC1=C(F)C(CO)=CC=C1 Q67892 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.2 CC1=C(O)C(CO)=CC=C1 P39563 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.2 CCC1=CC=CC(C)=C1C O30455 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.2 CNC1=CC=CC(Br)=C1N O31477 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.2 COC1=C(Br)C(Cl)=NC=C1 N26112 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.2 COC1=C(Br)C(O)=CC=C1 O31968 [1,1,0,0,0,0|0,0,0]=2 246 B10R1.2 COC1=C(Cl)C(Br)=CC=C1 Q67395 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.2 COC1=C(Cl)C(Cl)=NC=C1 L21800 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.2 COC1=C(Cl)C(N)=CC=C1 L18399 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.2 COC1=C(Cl)C(N)=CC=C1 M24076 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.2 COC1=C(F)C(C)=CC=C1 N25450 [1,1,0,0,0,0|0,0,0]=2 251 B10R1.2 COC1=C(N)C(Br)=CN=C1 L20729 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.2 COC1=C(N)C(Cl)=NC=C1 O30503 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.2 COC1=C(N)C(N)=CC=C1 O34317 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.2 COC1=C(O)C(Br)=CC=C1 G-5963 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.2 COC1=C(O)C(F)=CC=C1 Q66672 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.2 COC1=C(O)C(F)=CC=C1 Q67743 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.2 COC1=CC=CC(Br)=C1Br Q67513 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.2 COC1=CC=CC(Br)=C1C D-2572 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.2 COC1=CC=CC(Br)=C1F Q67527 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.2 COC1=CC=CC(Br)=C1I N24961 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.2 COC1=CC=CC(F)=C1Cl N25141 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.2 COC1=CC=CC(F)=C1I Q68123 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.2 COC1=CN=CC(Br)=C1C N24131 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.2 COC1=NC=CC(Cl)=C1Br Q62206 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.2 COC1=NC=CC(F)=C1Br Q62296 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.2 COC1=NC=CC(I)=C1Cl N26893 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.2 COC1=NC=CC(N)=C1Br G-7871 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.2 COC1=NC=CC(N)=C1I L18311 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.2 COC1=NC=CC(N)=C1N O31518 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.2 CSC1=C(Cl)C(Cl)=CC=C1 Q68599 [1,1,0,0,0,0|1,1,0]=4 271 B10R1.2 CSC1=C(Cl)C(F)=CC=C1 Q68532 [1,1,0,0,0,0|1,1,0]=4 272 B10R1.2 CSC1=C(F)C(F)=CC=C1 N25629 [1,1,0,0,0,0|1,1,0]=4 273 B10R1.2 CSC1=CC=CC(Br)=C1F N25973 [1,1,0,0,0,0|1,1,0]=4 274 B10R1.2 CSC1=CC=CC(F)=C1O N27023 [1,1,0,0,0,0|1,1,0]=4 275 B10R1.2 CSC1=CC=CC(O)=C1F N25513 [1,1,0,0,0,0|0,1,0]=3 276 B10R1.2 NCC1=C(O)C(O)=CC=C1 P36464 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.2 O=CC1=CC=CC(O)=C1Br Q66620 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.2 O=CC1=CC=CC(O)=C1F Q66733 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.8 CC1=CC(Br)=CC(C#N)=C1 Q67491 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.8 CC1=CC(Br)=CC(C=O)=C1 Q66838 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.8 CC1=CC(Br)=CC(CN)=C1 P43405 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.8 CC1=CC(Br)=CC(CO)=C1 N24555 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.8 CC1=CC(C)=CC(CO)=C1 Q67964 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.8 CC1=CC(C=O)=CC(O)=C1 N24404 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 N24755 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.8 CC1=CC(Cl)=CC(CO)=C1 N26490 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.8 CC1=CC(I)=CC(CO)=C1 O29298 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.8 CCC1=CC(Br)=CC(Br)=C1 Q67820 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.8 CNC1=CC(Cl)=CC(Cl)=C1 P38142 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.8 CNC1=CC(F)=CC(Br)=C1 N25920 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.8 COC1=CC(Br)=CC(Br)=C1 F-4625 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.8 COC1=CC(Br)=CC(N)=C1 O31171 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.8 COC1=CC(Br)=CC(O)=C1 N25535 [1,1,0,0,0,0|0,0,0]=2 294 B10R1.8 COC1=CC(Br)=C[N+]([O-])=C1 O29168 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.8 COC1=CC(Br)=NC(Br)=C1 E-3086 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.8 COC1=CC(Br)=NC(F)=C1 Q62369 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.8 COC1=CC(C)=CC(F)=C1 Q67673 [1,1,0,0,0,0|0,0,0]=2 298 B10R1.8 COC1=CC(Cl)=CC(Br)=N1 O29688 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.8 COC1=CC(Cl)=CC(Cl)=N1 O30958 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.8 COC1=CC(Cl)=CC(N)=N1 Q62356 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.8 COC1=CC(Cl)=NC(C)=N1 M15168 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.8 COC1=CC(Cl)=NC(Cl)=C1 O30865 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.8 COC1=CC(F)=CC(O)=C1 Q67667 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.8 COC1=CC(F)=NC(F)=C1 Q56250 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.8 COC1=CC(N)=CC(Cl)=N1 O30959 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.8 COC1=CC(O)=CC(Cl)=C1 N24186 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.8 COC1=NC(Cl)=CC(I)=C1 N25502 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.8 CSC1=CC(Br)=CC(Br)=C1 Q67818 [1,1,0,0,0,0|1,1,0]=4 309 B10R1.8 CSC1=CC(C)=CC(C)=C1 Q67824 [1,1,0,0,0,0|0,1,0]=3 310 B10R1.8 CSC1=CC(Cl)=CC(Br)=C1 N26848 [1,1,0,0,0,0|1,1,0]=4 311 B10R1.8 CSC1=CC(F)=CC(Br)=C1 Q67817 [1,1,0,0,0,0|1,1,0]=4 312 B10R1.8 CSC1=CC(F)=CC(Cl)=C1 N25740 [1,1,0,0,0,0|1,1,0]=4 313 B10R1.8 CSC1=CC(F)=CC(F)=C1 N24619 [1,1,0,0,0,0|1,1,0]=4 314 B10R1.8 CSC1=CC(F)=CC(O)=C1 N27715 [1,1,0,0,0,0|0,1,0]=3 315 B10R1.8 N#CC1=CC(O)=CC(Br)=C1 F-4622 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.8 O=CC1=CC(O)=CC(Br)=C1 Q68324 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.8 O=CC1=CC(O)=CC(Cl)=C1 Q68089 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.8 OC1=CC(O)=CC(CBr)=C1 P38735 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.10 CC1=CC(CCBr)=CC=C1 P40673 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.10 CC1=CC(CCCl)=CC=C1 P38353 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.10 CC1=CC(CCI)=CC=C1 M23009 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.10 CC1=CC(CCN)=CC=C1 P37429 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.10 CC1=CC(CCN)=NC=C1 Q53269 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 CC1=CC=CC(CCO)=N1 Q52530 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.10 CC1=CN=CC(CCN)=C1 Q64732 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.10 CC1=CN=CC(CCO)=C1 Q64733 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.10 CC1=NC=CC(CCN)=C1 O31989 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.10 CCCC1=CC=CC(N)=C1 M23710 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.10 CCNC1=CC=CC(Br)=C1 P38317 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.10 CCNC1=CC=CC(Cl)=C1 P41014 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.10 CCNC1=CC=CC(F)=C1 P39149 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.10 CCOC1=CC(Br)=NC=C1 Q52481 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.10 CCOC1=CC(C)=CN=C1 N27267 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.10 CCOC1=CC(Cl)=NC=C1 N24567 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.10 CCOC1=CC=CC(F)=C1 Q66827 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.10 CCOC1=CC=CC(N)=N1 O30214 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.10 CCOC1=NC=CC(Br)=C1 N24697 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.10 CCOC1=NC=CC(I)=C1 N26426 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.10 CCOC1=NC=CC(N)=C1 P51356 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.10 CNCC1=CC(O)=CC=C1 P42117 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.10 CNCC1=CC=CC(C)=C1 P38357 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.10 COCC1=CC(Br)=CC=C1 Q67458 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.10 COCC1=CN=CC(Br)=C1 Q67548 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.10 COCC1=NC=CC(N)=C1 Q56240 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.10 FC1=CC(CCBr)=CC=C1 P39371 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.10 NC1=CC(CCO)=CC=C1 O31199 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.10 NCCC1=CC(O)=CC=C1 M23068 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.10 NCCC1=CC=CC(Cl)=C1 G-6963 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.10 NCCC1=CC=CC(I)=C1 P34955 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.10 NCCC1=CC=CC(N)=C1 P36157 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.10 OCCC1=CC=CC(O)=C1 P41607 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.30 CC1=CC=C(Br)C(C=O)=C1 Q66721 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.30 CC1=CC=C(Br)C(CO)=C1 N24927 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.30 CC1=CC=C(C)C(CO)=C1 P37558 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.30 CC1=CC=C(Cl)C(C=O)=C1 Q67759 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.30 CC1=CC=C(F)C(CO)=C1 Q68220 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.30 CC1=CC=C(O)C(CO)=C1 N26156 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.30 CC1=CC=C(O)C=C1C=O Q67573 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.30 CC1=CC=C(O)C=C1CO N24525 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.30 CCC1=C(O)C=CC(Br)=C1 N24526 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.30 CCC1=CC(Br)=CC=C1Cl Q66646 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.30 CCC1=CC(F)=CC=C1N O29402 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.30 CNC1=CC(Br)=CC=C1N O31722 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.30 COC1=C(Br)C=CC(N)=N1 M15770 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.30 COC1=C(C)C=CC(O)=C1 N24341 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.30 COC1=C(Cl)C=CC(O)=C1 N24761 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.30 COC1=C(Cl)N=CC(O)=C1 I-9680 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.30 COC1=C(N)C=NC(Cl)=C1 O29809 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.30 COC1=CC(Br)=CC=C1I Q67115 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.30 COC1=CC(Br)=CN=C1Br N26162 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.30 COC1=CC(Br)=CN=C1C Q52072 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.30 COC1=CC(Br)=CN=C1Cl O31933 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.30 COC1=CC(Br)=CN=C1F Q66585 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.30 COC1=CC(Br)=CN=C1N N24242 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.30 COC1=CC(Br)=NC=C1Br N26243 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.30 COC1=CC(C)=CC=C1Br Q66623 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.30 COC1=CC(C)=CN=C1F N26395 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.30 COC1=CC(Cl)=CC=C1N O30871 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.30 COC1=CC(Cl)=CN=C1F N24981 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.30 COC1=CC(Cl)=NC=C1Br N25676 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.30 COC1=CC(Cl)=NC=C1Cl N25965 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.30 COC1=CC(Cl)=NC=C1F O32147 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.30 COC1=CC(F)=CC=C1I N24671 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.30 COC1=CC(F)=CC=C1N Q65477 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.30 COC1=CC(F)=CN=C1Br O29528 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.30 COC1=CC(O)=CC=C1Br Q67374 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.30 COC1=CC(O)=CN=C1Br N26421 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.30 COC1=CC(O)=CN=C1F N25711 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.30 COC1=NC(Br)=CC=C1N O30738 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.30 COC1=NC(C)=CC=C1Br Q57208 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.30 COC1=NC(I)=CC=C1O L20850 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.30 CSC1=C(C)C=CC(Br)=C1 N24432 [1,1,0,0,0,0|1,1,0]=4 393 B10R1.30 CSC1=CC(Br)=CC=C1Br N24626 [1,1,0,0,0,0|1,1,0]=4 394 B10R1.30 CSC1=CC(Br)=CC=C1F Q67732 [1,1,0,0,0,0|1,1,0]=4 395 B10R1.30 CSC1=CC(C)=CC=C1Br N27752 [1,1,0,0,0,0|0,1,0]=3 396 B10R1.30 CSC1=CC(C)=CC=C1Cl N27754 [1,1,0,0,0,0|0,1,0]=3 397 B10R1.30 CSC1=CC(C)=CC=C1F N27723 [1,1,0,0,0,0|0,1,0]=3 398 B10R1.30 CSC1=CC(C)=CN=C1Br O31327 [1,1,0,0,0,0|1,1,0]=4 399 B10R1.30 CSC1=CC(I)=CC=C1Br N24878 [1,1,0,0,0,0|1,1,0]=4 400 B10R1.30 O=CC1=CC(O)=CC=C1F Q66734 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.113 CC(C)C1=CC(O)=NC=C1 Q52824 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.113 CC(C)C1=CN=CC(O)=C1 Q52825 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.113 CC(N)C1=CC(N)=CC=C1 P41777 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.113 CC(N)C1=CC(O)=CC=C1 P36908 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.113 CC(N)C1=CC=CC(Br)=C1 O34417 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.113 CC(N)C1=CC=CC(Br)=C1 P36288 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 P39424 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.113 CC(N)C1=CC=CC(F)=C1 P36296 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.113 CC1=CC(C(C)N)=CC=C1 O30538 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.113 CC1=CC(C(C)N)=CC=C1 P36543 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.113 CC1=NC([C@@H](C)N)=CC=C1 Q58193 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.113 CC1=NC([C@H](C)N)=CC=C1 Q58196 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.113 CN(C)C1=CC=CC(F)=C1 P39813 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 P51333 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.176 CC1=C(Cl)C=CC(CN)=C1 A-961 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.176 CC1=C(Cl)C=CC(CO)=C1 N25889 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.176 CC1=C(O)C=C(C=O)C=C1 N25292 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.176 CC1=CC(C=O)=CC=C1Br K13407 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.176 CC1=CC(C=O)=CC=C1Cl Q67363 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.176 CC1=CC(C=O)=CC=C1O Q68150 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.176 CC1=CC(CN)=CC=C1Br P41109 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.176 CC1=CC(CO)=CC=C1Br N24431 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.176 CCC1=CC=C(F)C(Br)=C1 N24841 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.176 CCC1=CC=C(N)C(F)=C1 O34054 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.176 COC1=CC(=O)N(C)C=C1 O31429 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.176 COC1=CC(Cl)=C(N)C=N1 P43475 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.176 COC1=CC=C(Br)C(Br)=N1 O32648 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.176 COC1=CC=C(Br)C(Cl)=N1 Q68267 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.176 COC1=CC=C(Br)C(I)=C1 Q68050 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.176 COC1=CC=C(Br)C(N)=N1 M15811 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.176 COC1=CC=C(Br)C(O)=C1 Q66993 [1,1,0,0,0,0|0,0,0]=2 434 B10R1.176 COC1=CC=C(C)C(Br)=C1 N24125 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.176 COC1=CC=C(C)C(Cl)=N1 O32368 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.176 COC1=CC=C(C)C(F)=C1 Q67079 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.176 COC1=CC=C(C)C(O)=C1 Q67987 [1,1,0,0,0,0|0,0,0]=2 438 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 Q57228 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.176 COC1=CC=C(Cl)C(N)=N1 Q53164 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.176 COC1=CC=C(F)C(I)=C1 N24584 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.176 COC1=CC=C(F)C(O)=C1 Q67529 [1,1,0,0,0,0|0,0,0]=2 442 B10R1.176 COC1=CC=C(I)C(Br)=C1 Q67866 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.176 COC1=CC=C(N)C(C)=N1 P37660 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.176 COC1=CC=C(N)C(C)=N1 P38847 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.176 COC1=CC=C(N)C(I)=C1 Q52916 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.176 COC1=CC=C(N)C(O)=C1 M15200 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.176 COC1=CC=C(N)C(O)=C1 M15201 [1,1,0,0,0,0|0,0,0]=2 448 B10R1.176 COC1=CC=C(O)C(C)=C1 Q67705 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.176 COC1=CN=C(Br)C(C)=C1 N25865 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.176 COC1=CN=C(Br)C(F)=C1 O29400 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.176 COC1=CN=C(C)C(Br)=C1 I-9994 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.176 COC1=CN=C(Cl)C(C)=C1 N25631 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.176 COC1=CN=C(F)C(C)=C1 N25926 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.176 COC1=CN=C(F)C(I)=C1 N25099 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.176 COC1=CN=C(F)C(O)=C1 N27785 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.176 COC1=CN=C(N)C(Br)=C1 Q53409 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.176 COC1=NC(C)=C(F)C=C1 P38455 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.176 COC1=NC(C)=C(O)C=N1 Q62960 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.176 COC1=NC=C(Br)C(C)=C1 Q66996 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.176 COC1=NC=C(Br)C(F)=C1 P49377 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.176 COC1=NC=C(Br)C(N)=C1 G-5633 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.176 COC1=NC=C(C)C(Br)=C1 Q62263 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.176 COC1=NC=C(Cl)C(C)=C1 N24194 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.176 COC1=NC=C(Cl)C(I)=C1 O29143 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.176 COC1=NC=C(Cl)C(O)=C1 N26019 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.176 COC1=NC=C(F)C(N)=C1 Q52643 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.176 COC1=NC=C(F)C(O)=C1 O31520 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.176 COC1=NC=C(I)C(C)=C1 Q67976 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.176 COC1=NC=C(N)C(I)=C1 Q62441 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.176 COC1=NC=C(N)C(O)=C1 O29805 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.176 COC1=NC=C(O)C(C)=C1 N25924 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.176 CSC1=CC(F)=C(F)C=C1 N24442 [1,1,0,0,0,0|1,1,0]=4 473 B10R1.176 CSC1=CC(O)=C(C)C=C1 N26961 [1,1,0,0,0,0|0,1,0]=3 474 B10R1.176 CSC1=CC(O)=C(F)C=C1 N27741 [1,1,0,0,0,0|0,1,0]=3 475 B10R1.176 CSC1=CC=C(Br)C(C)=C1 N24368 [1,1,0,0,0,0|0,1,0]=3 476 B10R1.176 CSC1=CC=C(Br)C(F)=C1 N24385 [1,1,0,0,0,0|1,1,0]=4 477 B10R1.176 CSC1=CC=C(O)C(C)=C1 N24608 [1,1,0,0,0,0|0,1,0]=3 478 B10R1.176 CSC1=CN=C(Cl)C(C)=C1 O31318 [1,1,0,0,0,0|1,1,0]=4 479 B10R1.176 CSC1=NC(C)=C(Br)C=C1 N25296 [1,1,0,0,0,0|1,1,0]=4 480 B10R1.176 CSC1=NC=C(Br)C(C)=C1 N25471 [1,1,0,0,0,0|1,1,0]=4 481 B10R1.176 O=CC1=CC=C(F)C(O)=C1 Q67727 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.176 OCC1=CC(O)=C(F)C=C1 N25036 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 N25640 [1,1,0,0,0,0|2,0,0]=4 484 B12R1.11 COC1=CC(Br)=CC(B(O)O)=C1 Q66791 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.11 COC1=CC(Br)=CC(C(=O)O)=C1 Q67560 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.11 COC1=CC(Br)=CC(C(C)C)=C1 N26663 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.11 COC1=CC(C(=O)O)=CC(C)=C1 O32298 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.11 COC1=CC(C)=CC(B(O)O)=C1 N25354 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.11 COC1=CC(Cl)=CC(B(O)O)=C1 Q66426 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.11 COC1=CC(Cl)=CC(C(=O)O)=C1 Q68383 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.11 COC1=CC(F)=CC(B(O)O)=C1 Q66322 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.11 COC1=CC(F)=CC(C(=O)O)=C1 Q67863 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.11 COC1=CC(O)=CC(B(O)O)=C1 Q68488 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.41 CCOC1=CC(C=O)=CC(Br)=C1 N24983 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.41 CCOC1=CC(F)=CC(C=O)=C1 N25284 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.41 CCOC1=CC(F)=CC(CO)=C1 N25765 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.41 CCOC1=CC(OC)=CC(Br)=C1 N27432 [0,2,0,0,0,0|0,0,0]=2 498 B12R1.58 C#CC1=CC(OC)=CC(OC)=C1 P40588 [0,2,0,0,0,0|0,0,0]=2 499 B12R1.58 COC1=CC(C#N)=CC(OC)=N1 Q62343 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.58 COC1=CC(C=O)=CC(OC)=N1 O29090 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.58 COC1=CC(CN)=NC(OC)=N1 Q63515 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.58 COC1=CC(CO)=CC(OC)=N1 O29107 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.58 COC1=CC(OC)=NC(C#N)=N1 Q65325 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.58 COC1=CC(OC)=NC(C=O)=N1 Q56409 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.58 COC1=CC(OC)=NC(CN)=N1 Q56408 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.58 COC1=CC(OC)=NC(OC)=C1 N26326 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.235 CCC1=CC(Br)=CC(CC)=C1I S70895 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.235 COC1=C(Br)C(C=O)=CC(Br)=C1 N26606 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.235 COC1=C(Br)C(SC)=CC(Br)=C1 N26640 [0,2,0,0,0,0|0,1,0]=3 510 B12R1.235 COC1=C(Cl)C(C=O)=CC(Cl)=C1 O29086 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.235 COC1=C(Cl)C(CO)=CC(Cl)=C1 O29035 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.235 COC1=NC(Br)=CC(OC)=C1N L19873 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 N27419 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.300 COC1=C(F)C(F)=CC(C=O)=C1 Q68418 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.300 COC1=CC(C#N)=CC(C)=C1O C-3738 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.300 COC1=CC(C)=C(Br)C(CBr)=C1 O32694 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.300 COC1=CC(CO)=CC(F)=C1F Q68419 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.300 COC1=CC(CO)=CC(F)=C1O N27150 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.270 CCOC1=C(C)C=CC(C=O)=C1 N25935 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.270 CCOC1=C(F)C=CC(C=O)=C1 N25433 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.270 COCC1=CC(OC)=CC=C1Br N25290 [0,2,0,0,0,0|0,0,0]=2 522 B12R1.278 CCOC1=CC(CCO)=CC=C1 Q66109 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.278 CCOC1=CC=CC(OCC)=N1 Q66986 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.279 COCC1=CC(B(O)O)=CC=C1 Q66515 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.279 COCC1=CC(C(=O)O)=CC=C1 P38831 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.280 CCOC1=C(Br)C(C=O)=CC=C1 Q68035 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.280 CCOC1=C(F)C(C=O)=CC=C1 P43506 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.280 COCC1=C(Br)C(OC)=CC=C1 Q68468 [0,2,0,0,0,0|0,0,0]=2 529 B12R1.286 CCOC1=CC=C(Br)C(CO)=C1 Q68767 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.286 CCOC1=CC=C(C)C(C=O)=C1 N25779 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.382 C#CCOC1=CC=CC(OC)=C1 P38172 [0,2,0,0,0,0|0,0,0]=2 532 B12R1.382 C=CCOC1=CC(C=O)=CC=C1 O31876 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.382 CCNCC1=CC=CC(OC)=C1 Q66019 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.382 CNCCC1=CC=CC(OC)=C1 P38740 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.382 COC1=CC(C#CCO)=CC=C1 O27863 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.382 COC1=CC(CCCBr)=CC=C1 P36566 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.382 COC1=CC(CCCN)=CC=C1 P40261 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.382 COC1=CC(CCCO)=CC=C1 O28944 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.382 COC1=CC(OCCN)=CC=C1 P36840 [0,2,0,0,0,0|0,0,0]=2 540 B12R1.382 COC1=CC(OCCO)=CC=C1 P38700 [0,2,0,0,0,0|0,0,0]=2 541 B12R1.382 COCOC1=CC(OC)=CC=C1 Q67624 [0,2,0,0,0,0|0,0,0]=2 542 B12R1.382 CO\C=C\C1=CC(C#N)=CC=C1 Q69246 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.435 C#CC1=CC(C(=O)OC)=CC=C1 O27992 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.435 CCC1=CC(C(=O)OC)=CC=C1 O29108 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.435 COC(=O)C1=CC(OC)=CN=C1 N24812 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.435 COC(=O)C1=CC(OC)=NC=C1 Q67738 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 Q67562 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.435 COC1=CC(C(=O)CBr)=NC=C1 O29941 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 P39449 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.435 COC1=CC(C(N)CO)=CC=C1 P38813 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.435 COC1=CC(C(O)CN)=CC=C1 P39138 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 P36199 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 P42270 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.435 COC1=CC=CC(C(=O)CCl)=N1 O31071 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.438 CC(C)OC1=CC(C=O)=CC=C1 P36227 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.438 CC(C)OC1=CC(CBr)=CC=C1 P40307 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.438 COC1=CC(CC(C)=O)=CC=C1 P38947 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.438 COC1=CC=CC(CC(C)=O)=N1 Q58463 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.56 COC1=C(Br)C=CC(B(O)O)=C1 N25139 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 N25905 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.56 COC1=CC(B(O)O)=CC=C1Cl Q67284 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.56 COC1=CC(B(O)O)=CC=C1F Q66981 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.56 COC1=CC(C(=O)O)=CC=C1Br Q66050 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl Q66690 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.56 COC1=CC(C(=O)O)=CC=C1F I-9256 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.56 COC1=CC(C(C)=O)=CC=C1F N24115 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.56 COC1=CC(C(C)=O)=CN=C1Br N27081 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.56 COC1=NC(C(C)C)=CC=C1O Q68847 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.436 COC1=CC(C(C)(C)N)=CC=C1 P42703 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.436 COC1=CC=CC(C(C)(C)N)=N1 Q69600 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.440 COC1=C(Cl)C(C(=O)O)=CC=C1 Q66689 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.440 COC1=C(F)C(C(=O)O)=CC=C1 Q67065 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.440 COC1=C(N)C(C(=O)O)=CC=C1 G-7024 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.440 COC1=C(O)C(C(C)=O)=CC=C1 G-7111 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.440 COC1=CC=CC(B(O)O)=C1C N25878 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.440 COC1=CC=CC(B(O)O)=C1Cl N25352 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1N P51314 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.453 COC1=CC=C(Br)C(B(O)O)=C1 Q66803 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.453 COC1=CC=C(Br)C(C(C)C)=C1 N26356 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.453 COC1=CC=C(C)C(B(O)O)=C1 N25200 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.453 COC1=CC=C(C)C(C(=O)O)=C1 Q66691 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.453 COC1=CC=C(Cl)C(B(O)O)=C1 Q66427 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.453 COC1=CC=C(Cl)C(C(=O)O)=C1 Q66692 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.453 COC1=CC=C(F)C(C(=O)O)=C1 Q67721 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.453 COC1=CC=C(F)C(C(C)=O)=C1 Q69718 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.453 COC1=CC=C(F)C([C@@H](C)N)=C1 Q69738 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.453 COC1=CC=C(F)C([C@H](C)N)=C1 Q69719 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.453 COC1=CC=C(O)C(B(O)O)=C1 Q67261 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.453 COC1=CC=C(O)C(C(C)C)=C1 N26088 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.453 COC1=CN=C(O)C(C(C)=O)=C1 Q62403 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.654 COC1=C(Br)C(SC)=CC=C1F N27505 [0,2,0,0,0,0|0,1,0]=3 592 B12R1.654 COC1=C(Cl)C(C=O)=C(F)C=C1 Q66900 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.654 COC1=C(Cl)C=CC(CO)=C1F N24308 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.654 COC1=C(F)C(C=O)=C(Cl)C=C1 Q66912 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.654 COC1=C(F)C(C=O)=C(F)C=C1 Q67334 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.654 COC1=C(F)C(C=O)=CC=C1Cl Q67000 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.654 COC1=C(F)C(CO)=C(Cl)C=C1 Q67285 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.654 COC1=C(F)C(CO)=C(F)C=C1 Q68405 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.654 COC1=C(O)C(OC)=C(Br)C=C1 N26731 [0,2,0,0,0,0|0,0,0]=2 600 B12R1.654 COC1=CC=C(Br)C(C=O)=C1F N24241 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.654 COC1=CC=C(Br)C(OC)=C1F N26957 [0,2,0,0,0,0|0,0,0]=2 602 B12R1.654 COC1=CC=C(F)C(C=O)=C1Br N24554 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.654 COC1=CC=C(N)C(OC)=C1F N24629 [0,2,0,0,0,0|0,0,0]=2 604 B12R1.1879 COC1=C(C=O)C(SC)=CC=C1 N26920 [0,2,0,0,0,0|0,1,0]=3 605 B12R1.1879 COC1=C(CO)C(SC)=CC=C1 N26554 [0,2,0,0,0,0|0,1,0]=3 606 B12R1.1879 COC1=CC=CC(OC)=C1CO M15612 [0,2,0,0,0,0|0,0,0]=2 607 B12R1.1879 COC1=NC=NC(OC)=C1CCl Q63960 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.1879 COC1=NC=NC(OC)=C1CN Q58538 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.1879 COC1=NC=NC(OC)=C1CO Q55476 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.1879 CSC1=CC=CC(SC)=C1C=O O29309 [0,2,0,0,0,0|0,2,0]=4 611 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 P38107 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 N25709 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.78 COC1=CC=C(C#N)C(C#N)=C1 P51217 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.78 COC1=CC=C(C=O)C(OC)=N1 Q66655 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.78 COC1=CC=C(CO)C(OC)=N1 Q67809 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.78 COC1=CC=C(SC)C(OC)=N1 N27351 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.78 COC1=NC=C(C=O)C(SC)=C1 N27065 [0,2,0,0,0,0|1,1,0]=4 618 B12R1.449 COC1=C(F)C=C(F)C(C=O)=C1 N24747 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.449 COC1=C(F)C=C(F)C(CO)=C1 N26115 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.449 COC1=CC(OC)=C(Br)C=C1Br N25210 [0,2,0,0,0,0|0,0,0]=2 621 B12R1.449 COC1=CC(OC)=C(Cl)C=C1Br N27357 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.449 COC1=CC(OC)=C(Cl)C=C1O N27260 [0,2,0,0,0,0|0,0,0]=2 623 B12R1.449 COC1=NC(OC)=C(Br)C=C1C N27501 [0,2,0,0,0,0|1,0,0]=3 624 B12R1.449 COC1=NC(OC)=C(Br)C=C1Cl N27335 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.449 COC1=NC(OC)=C(I)C=C1Br N27383 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.449 COC1=NC(OC)=C(O)C=C1Br N27500 [0,2,0,0,0,0|1,0,0]=3 627 B12R2.43 COC1=CN=CC(C2CC2)=C1 N26919 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.44 COC1=CC2=C(C=C1)CCN2 O34504 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.44 COC1=CC2=C(C=C1)CNC2 M15507 [0,1,0,1,0,0|1,0,0]=3 630 B12R2.44 COC1=CC2=C(C=C1)NCC2 P39671 [0,1,0,1,0,0|1,0,0]=3 631 B12R2.44 COC1=CC2=C(C=C1)OC=C2 L14993 [0,1,0,1,0,0|1,0,1]=4 632 B12R2.44 COC1=CC=C2C=NNC2=C1 C-2107 [0,1,0,1,0,0|1,0,1]=4 633 B12R2.44 COC1=CC=C2NN=CC2=C1 C-2102 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.44 COC1=NC=C2NCCC2=C1 Q62962 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.315 COC1=C2NN=CC2=CC=C1 N24646 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.315 COC1=C2NN=NC2=CC=C1 O32430 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.315 COC1=C2OC=CC2=CC=C1 P36448 [0,1,0,1,0,0|1,0,1]=4 638 B12R2.315 COC1=CC=CC2=C1C=NN2 G-5560 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.315 COC1=CC=CC2=C1CCN2 O32260 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.1 CSC1=CC(C)=CS1 N26956 [1,0,0,0,1,0|1,1,0]=4 641 B8R1.11 COC1=CC=NN1C Q69571 [1,0,0,0,1,0|2,0,0]=4 642 B8R1.11 COC1=CSC=C1N O29276 [1,0,0,0,1,0|2,0,0]=4 643 B8R1.11 COC1=CSC=C1N O29280 [1,0,0,0,1,0|2,0,0]=4 644 B10R1.3 C#CC1=CC=C(OC)N=C1 C-3464 [0,0,0,0,1,1|1,0,1]=4 645 B10R1.3 COC1=CC=C(C#N)C=N1 P40898 [0,0,0,0,1,1|2,0,0]=4 646 B10R1.3 COC1=CC=C(CBr)C=C1 Q67503 [0,0,0,0,1,1|2,0,0]=4 647 B10R1.3 COC1=CC=C(CBr)C=N1 N25219 [0,0,0,0,1,1|2,0,0]=4 648 B10R1.3 COC1=CC=C(CN)N=C1 Q52335 [0,0,0,0,1,1|2,0,0]=4 649 B10R1.3 COC1=CC=C(NN)C=C1 P43291 [0,0,0,0,1,1|2,0,0]=4 650 B10R1.3 COC1=CN=C(C#N)C=C1 G-6236 [0,0,0,0,1,1|2,0,0]=4 651 B10R1.3 COC1=CN=C(C=O)C=C1 N24757 [0,0,0,0,1,1|2,0,0]=4 652 B10R1.3 COC1=CN=C(CCl)C=C1 L13052 [0,0,0,0,1,1|2,0,0]=4 653 B10R1.3 COC1=CN=C(CO)C=C1 I-9706 [0,0,0,0,1,1|2,0,0]=4 654 B10R1.3 COC1=CN=C(OC)C=C1 Q67646 [0,0,0,0,1,1|0,0,0]=2 655 B10R1.3 COC1=NC=C(CN)C=C1 C-3721 [0,0,0,0,1,1|2,0,0]=4 656 B10R1.3 COC1=NC=C(CN)C=C1 G-6806 [0,0,0,0,1,1|2,0,0]=4 657 B10R1.3 COC1=NC=C(CO)C=C1 C-3532 [0,0,0,0,1,1|2,0,0]=4 658 B10R1.3 COC1=NN=C(OC)C=C1 Q67359 [0,0,0,0,1,1|1,0,0]=3