0 B8R1.1 Br[Mg]c1ccc(Br)s1 MC116055 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.1 C#CC1=CC=C(Cl)S1 MC114858 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC=C(C#N)N1 CS16878 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [0,0,0,0,0,0|3,1,0]=4 7 B8R1.1 CC1=CNC(C#N)=N1 CS17142 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 CC1=COC(C=O)=N1 MC104070 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CC1=CSC(C#N)=N1 MC425479 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CC1=NC(C#N)=CS1 MC106832 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CC1=NC(CCl)=CS1 MC442177 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CC1=NC(CN)=CN1 MC107345 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CC1=NC(CO)=CS1 MC430697 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [0,0,0,0,0,0|3,1,0]=4 18 B8R1.1 CCN1C=C[N+](C)=C1 MC107104 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CN1C=CC(C#N)=N1 CS20751 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CNC1=NC(N)=CS1 MC102822 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 COC1=NN=C(C)S1 MC107310 [0,0,0,0,0,0|2,2,0]=4 23 B8R1.1 CSC1=NNC(N)=C1 CS16036 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.1 ClCC1=CC=C(Cl)S1 CS17500 [0,0,0,0,0,0|3,1,0]=4 25 B8R1.1 N#CC1=CC=C(Br)O1 MC432195 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 N#CC1=CC=C(Br)S1 CS10307 [0,0,0,0,0,0|3,1,0]=4 27 B8R1.1 N#CC1=CC=C(N)S1 CS17201 [0,0,0,0,0,0|3,1,0]=4 28 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.1 NCc1ccc(F)s1 MC102141 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [0,0,0,0,0,0|3,1,0]=4 32 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.1 OCC1=CC=C(F)S1 MC113611 [0,0,0,0,0,0|3,1,0]=4 35 B7R1.1 BrCC1=CC=CS1 MC111260 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.1 BrCC1=CC=NO1 MC114075 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 BrCC1=NC=CO1 MC106296 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 Br[Zn]c1cccs1 MC121347 [1,0,0,0,0,0|2,1,0]=4 39 B7R1.1 CCC1=NC=CN1 CS21533 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 CCN1C=CC=N1 CS20681 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 CNC1=NC=CS1 CS12598 [1,0,0,0,0,0|2,1,0]=4 42 B7R1.1 COC1=CSC=C1 CS22351 [1,0,0,0,0,0|2,1,0]=4 43 B7R1.1 COC1=NC=CS1 CS22597 [1,0,0,0,0,0|1,2,0]=4 44 B7R1.1 CSC1=CNN=C1 MC445675 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 CSC1=NC=CO1 CS17723 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.1 ClCC1=CC=CO1 CS13429 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.1 ClCC1=CN=CO1 MC105780 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 ClCC1=CN=CO1 MC114644 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 N#CC1=CC=CS1 CS22701 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.1 N#CC1=CC=NO1 CS17495 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 NCC1=CC=CN1 CS14874 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 NCC1=CC=CO1 MC41689 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 NCC1=CC=CS1 CS22783 [1,0,0,0,0,0|2,1,0]=4 54 B7R1.1 NCC1=CN=CO1 CS17502 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 NCC1=CN=CO1 CS18508 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 NCC1=CN=CO1 MC104477 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 O=CC1=CC=CN1 CS17764 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 O=CC1=CC=CN1 MC434011 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 O=CC1=CC=CO1 MC41686 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 O=CC1=CC=CS1 CS16400 [1,0,0,0,0,0|2,1,0]=4 61 B7R1.1 O=CC1=CN=CO1 MC100355 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 OCC1=CC=CO1 MC41687 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.1 OCC1=CC=NO1 CS15343 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.2 BrC1=CC=C(Br)S1 CS22553 [1,0,0,0,0,0|2,1,0]=4 65 B7R1.2 CC1=CC(Br)=CS1 CS22736 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.2 CC1=CC(C)=NN1 CS19982 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.2 CC1=CC(C)=NO1 CS14107 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,0,0,0,0,0|1,1,0]=3 69 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.2 CC1=CN(C)C=N1 MC111221 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.2 CC1=CN(C)N=C1 CS20542 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.2 CC1=CN=C(Br)S1 CS12301 [1,0,0,0,0,0|2,1,0]=4 73 B7R1.2 CC1=CN=C(C)S1 CS22782 [1,0,0,0,0,0|1,1,0]=3 74 B7R1.2 CC1=CN=C(N)S1 CS21821 [1,0,0,0,0,0|2,1,0]=4 75 B7R1.2 CC1=CNC(Br)=N1 MC111806 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.2 CC1=CNC(C)=N1 CS21117 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.2 CC1=COC(Br)=N1 MC113513 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.2 CC1=CSC(Br)=N1 CS18300 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.2 CC1=CSC(C)=N1 CS22781 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.2 CC1=CSC(N)=C1 MC113026 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.2 CC1=CSC(N)=C1 MC121228 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.2 CC1=NC(I)=CS1 MC432141 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.2 CC1=NC=C(I)N1 CS19295 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.2 CC1=NC=C(I)S1 MC441133 [1,0,0,0,0,0|2,1,0]=4 85 B7R1.2 CC1=NC=C(N)N1 MC445566 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.2 CC1=NC=C(N)S1 CS15937 [1,0,0,0,0,0|2,1,0]=4 87 B7R1.2 CC1=NN(C)C=C1 CS20520 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.2 CC1=NN=C(C)O1 CS15161 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,0,0,0,0,0|2,1,0]=4 90 B7R1.2 CC1=NNC(C)=N1 MC444208 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,0,0,0,0,0|2,1,0]=4 92 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,0,0,0,0,0|2,1,0]=4 93 B7R1.2 CN1C=CC(Br)=N1 CS20720 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.2 CN1C=CC(I)=N1 MC442844 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.2 CN1C=CC(N)=C1 CS17699 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.2 CN1C=CC(N)=N1 CS13878 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.2 ClC1=CC=C(I)S1 MC114731 [1,0,0,0,0,0|2,1,0]=4 98 B9R1.7 CC1=CC=C(N=C=O)O1 MC106103 [0,1,0,0,0,0|1,0,1]=3 99 B9R1.7 NCCC1=CC=C(Br)S1 MC114876 [0,1,0,0,0,0|2,1,0]=4 100 B9R1.21 N#CC1=CC=C(CBr)S1 CS10149 [0,1,0,0,0,0|2,1,0]=4 101 B9R1.21 O=CC1=CC=C(C=O)O1 MC20959 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.21 OCC1=CC=C(CO)O1 CS10151 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.22 CC1=CC(C)=C(C=O)N1 CS10535 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,0,0,0|1,1,0]=3 108 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,1,0,0,0,0|2,1,0]=4 109 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,0,0,0|2,1,0]=4 113 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,0,1,0,0,0|3,0,0]=4 120 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,0,1,0,0,0|1,1,1]=4 121 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,0,1,0,0,0|1,0,2]=4 122 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,0,1,0,0,0|2,0,1]=4 124 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [0,0,0,0,0,1|2,0,1]=4 125 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.1 CC1=CC=C(C#N)N=N1 MC444265 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.1 CC1=CC=C(CN)N=N1 MC100078 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.1 CC1=CC=C(NN)N=N1 CS22373 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.1 CC1=CN=C(C#N)C=C1 CS13787 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.1 CC1=NC=C(C#N)C=C1 CS14144 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [0,0,0,0,0,1|2,0,0]=3 149 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.1 CNC1=CC=C(Cl)N=N1 CS10696 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.1 CNC1=NC=C(Br)C=C1 CS10304 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [0,0,0,0,0,1|2,1,0]=4 157 B9R1.1 COC1=CC=C(Br)N=N1 CS14617 [0,0,0,0,0,1|2,1,0]=4 158 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [0,0,0,0,0,1|2,1,0]=4 159 B9R1.1 COC1=CC=C(Cl)N=N1 CS17689 [0,0,0,0,0,1|2,1,0]=4 160 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [0,0,0,0,0,1|2,1,0]=4 161 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [0,0,0,0,0,1|2,1,0]=4 162 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [0,0,0,0,0,1|2,1,0]=4 163 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [0,0,0,0,0,1|2,1,0]=4 164 B9R1.1 COC1=CC=C(N)N=N1 CS22091 [0,0,0,0,0,1|2,1,0]=4 165 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [0,0,0,0,0,1|2,1,0]=4 166 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [0,0,0,0,0,1|2,1,0]=4 167 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [0,0,0,0,0,1|2,1,0]=4 168 B9R1.1 COC1=CN=C(Br)C=C1 CS13470 [0,0,0,0,0,1|2,1,0]=4 169 B9R1.1 COC1=CN=C(F)C=C1 MC442697 [0,0,0,0,0,1|2,1,0]=4 170 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [0,0,0,0,0,1|2,1,0]=4 171 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [0,0,0,0,0,1|2,1,0]=4 172 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [0,0,0,0,0,1|1,1,0]=3 173 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [0,0,0,0,0,1|2,1,0]=4 174 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [0,0,0,0,0,1|2,1,0]=4 175 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [0,0,0,0,0,1|2,1,0]=4 176 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [0,0,0,0,0,1|2,1,0]=4 177 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [0,0,0,0,0,1|2,0,0]=3 178 B9R1.1 CSC1=CN=C(Br)C=C1 MC430574 [0,0,0,0,0,1|2,0,0]=3 179 B9R1.1 CSC1=NC=C(Br)C=N1 CS18002 [0,0,0,0,0,1|3,0,0]=4 180 B9R1.1 CSC1=NC=C(O)C=N1 CS12580 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.2 C#CC1=CC(C)=NC=C1 MC103098 [0,0,0,0,0,1|2,0,1]=4 182 B9R1.2 C#CC1=NC(C)=CC=C1 MC103100 [0,0,0,0,0,1|2,0,1]=4 183 B9R1.2 C=NC1=CC(C)=CC=C1 MC111025 [0,0,0,0,0,1|2,0,1]=4 184 B9R1.2 CC1=CC(C#N)=NC=C1 CS20235 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.2 CC1=CC(NN)=CC=C1 CS19574 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.2 CC1=CC(NN)=NC=C1 CS13399 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.2 CC1=CC=CC(C#N)=C1 CS19778 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.2 CC1=CC=CC(C#N)=N1 CS15464 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.2 CC1=CN=CC(C#N)=N1 CS17295 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.2 CC1=CN=CC(CCl)=C1 CS14445 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.2 CC1=CN=CC(CCl)=N1 CS17402 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.2 CC1=CN=CC(CO)=N1 CS15787 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.2 CC1=NC(C#N)=NC=C1 MC425508 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.2 CC1=NC(CCl)=NC=C1 MC113392 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.2 CC1=NC(CN)=NC=C1 MC431122 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.2 CC1=NC(CO)=NC=C1 MC444189 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.2 CC1=NC=CC(C#N)=C1 MC21144 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,0,0,0,0,1|2,0,0]=3 218 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.2 CCC1=CN=CC(Br)=C1 CS11907 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.2 CNC1=CC(Br)=CC=C1 CS22185 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.2 CNC1=CC(Br)=CC=C1 MC40876 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.2 CNC1=CC(Br)=CN=C1 MC443556 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.2 CNC1=CC(Br)=NC=C1 MC442736 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.2 CNC1=CC(Cl)=CC=C1 MC20486 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.2 CNC1=CC(N)=CC=C1 CS16640 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.2 CNC1=CC=CC(O)=C1 MC442233 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.2 CNC1=NC(Cl)=CN=C1 CS10695 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.2 CNC1=NC=CC(Br)=C1 MC33481 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.2 CNC1=NC=CC(Br)=N1 CS14470 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.2 CNC1=NC=CC(Cl)=C1 MC430266 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.2 CNC1=NC=CC(N)=C1 CS16967 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.2 COC1=CC(=O)NC=C1 CS12334 [0,0,0,0,0,1|2,1,0]=4 234 B9R1.2 COC1=CC(Br)=NC=C1 CS16230 [0,0,0,0,0,1|2,1,0]=4 235 B9R1.2 COC1=CC(Cl)=NC=C1 CS19311 [0,0,0,0,0,1|2,1,0]=4 236 B9R1.2 COC1=CC(F)=NC=C1 CS14826 [0,0,0,0,0,1|2,1,0]=4 237 B9R1.2 COC1=CC(N)=NC=C1 CS19522 [0,0,0,0,0,1|2,1,0]=4 238 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [0,0,0,0,0,1|2,1,0]=4 239 B9R1.2 COC1=CC=CC(Cl)=C1 CS19894 [0,0,0,0,0,1|2,1,0]=4 240 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [0,0,0,0,0,1|2,1,0]=4 241 B9R1.2 COC1=CC=CC(F)=C1 CS19929 [0,0,0,0,0,1|2,1,0]=4 242 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [0,0,0,0,0,1|2,1,0]=4 243 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [0,0,0,0,0,1|2,1,0]=4 244 B9R1.2 COC1=CC=CC(N)=C1 CS19943 [0,0,0,0,0,1|2,1,0]=4 245 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [0,0,0,0,0,1|2,1,0]=4 246 B9R1.2 COC1=CC=CC(O)=C1 CS18747 [0,0,0,0,0,1|2,1,0]=4 247 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [0,0,0,0,0,1|2,1,0]=4 248 B9R1.2 COC1=CN=CC(Br)=C1 MC427397 [0,0,0,0,0,1|2,1,0]=4 249 B9R1.2 COC1=CN=CC(Br)=N1 MC431625 [0,0,0,0,0,1|2,1,0]=4 250 B9R1.2 COC1=CN=CC(Cl)=N1 CS21483 [0,0,0,0,0,1|2,1,0]=4 251 B9R1.2 COC1=CN=CC(N)=C1 CS19973 [0,0,0,0,0,1|2,1,0]=4 252 B9R1.2 COC1=CN=CC(N)=N1 CS12541 [0,0,0,0,0,1|2,1,0]=4 253 B9R1.2 COC1=CN=CC(O)=C1 CS17819 [0,0,0,0,0,1|2,1,0]=4 254 B9R1.2 COC1=NC(Br)=NC=C1 CS12506 [0,0,0,0,0,1|2,1,0]=4 255 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,0,0,0,0,1|1,1,0]=3 256 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [0,0,0,0,0,1|1,1,0]=3 257 B9R1.2 COC1=NC(Cl)=NC=C1 CS21447 [0,0,0,0,0,1|2,1,0]=4 258 B9R1.2 COC1=NC(I)=NC=C1 CS11917 [0,0,0,0,0,1|2,1,0]=4 259 B9R1.2 COC1=NC(N)=NC=C1 MC441214 [0,0,0,0,0,1|2,1,0]=4 260 B9R1.2 COC1=NC=CC(Br)=C1 CS22650 [0,0,0,0,0,1|2,1,0]=4 261 B9R1.2 COC1=NC=CC(Br)=N1 MC442715 [0,0,0,0,0,1|2,1,0]=4 262 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [0,0,0,0,0,1|1,1,0]=3 263 B9R1.2 COC1=NC=CC(Cl)=C1 CS19313 [0,0,0,0,0,1|2,1,0]=4 264 B9R1.2 COC1=NC=CC(F)=C1 CS11908 [0,0,0,0,0,1|2,1,0]=4 265 B9R1.2 COC1=NC=CC(I)=C1 CS19594 [0,0,0,0,0,1|2,1,0]=4 266 B9R1.2 COC1=NC=CC(N)=C1 CS19525 [0,0,0,0,0,1|2,1,0]=4 267 B9R1.2 COC1=NC=CC(N)=N1 CS10114 [0,0,0,0,0,1|2,1,0]=4 268 B9R1.2 COC1=NC=CC(O)=C1 MC115931 [0,0,0,0,0,1|2,1,0]=4 269 B9R1.2 CSC1=CC(Cl)=NC=N1 CS12488 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.2 CSC1=CC(N)=CC=C1 MC20570 [0,0,0,0,0,1|2,0,0]=3 271 B9R1.2 CSC1=CC=CC(Br)=N1 MC442232 [0,0,0,0,0,1|2,0,0]=3 272 B9R1.2 CSC1=NC(Cl)=NC=C1 CS19934 [0,0,0,0,0,1|2,0,0]=3 273 B9R1.2 CSC1=NC=CC(=O)N1 CS22771 [0,0,0,0,0,1|2,0,0]=3 274 B9R1.2 CSC1=NC=CC(Br)=N1 MC425588 [0,0,0,0,0,1|2,0,0]=3 275 B9R1.2 CSC1=NC=CC(Cl)=C1 CS12493 [0,0,0,0,0,1|2,0,0]=3 276 B9R1.2 CSC1=NC=CC(Cl)=N1 CS18332 [0,0,0,0,0,1|2,0,0]=3 277 B9R1.2 CSC1=NC=CC(N)=N1 CS20913 [0,0,0,0,0,1|2,0,0]=3 278 B9R1.2 CSC1=NC=CC(O)=N1 CS12612 [0,0,0,0,0,1|2,0,0]=3 279 B9R1.2 Cc1cc(C#N)ccn1 MC115556 [0,0,0,0,0,1|3,0,0]=4 280 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,1,0,0,0|0,1,1]=4 281 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,1,0,0,0|0,1,1]=4 282 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,1,0,0,0|0,1,1]=4 283 B6R1.2 BrC1=CC=CS1 CS21414 [2,0,0,0,0,0|1,1,0]=4 284 B6R1.2 BrC1=CC=C[Se]1 MC114898 [2,0,0,0,0,0|1,1,0]=4 285 B6R1.2 BrC1=CN=CO1 MC105695 [2,0,0,0,0,0|2,0,0]=4 286 B6R1.2 BrC1=NC=CO1 MC104314 [2,0,0,0,0,0|2,0,0]=4 287 B6R1.2 CC1=CC=CN1 CS21660 [2,0,0,0,0,0|1,0,0]=3 288 B6R1.2 CC1=CC=CO1 MC41695 [2,0,0,0,0,0|0,0,0]=2 289 B6R1.2 CC1=CC=CS1 CS21701 [2,0,0,0,0,0|0,1,0]=3 290 B6R1.2 CC1=CC=NN1 MC21108 [2,0,0,0,0,0|2,0,0]=4 291 B6R1.2 CC1=CN=CS1 CS10460 [2,0,0,0,0,0|1,1,0]=4 292 B6R1.2 CC1=CNC=C1 MC20689 [2,0,0,0,0,0|2,0,0]=4 293 B6R1.2 CC1=CNC=N1 MC20397 [2,0,0,0,0,0|2,0,0]=4 294 B6R1.2 CC1=COC=N1 MC427478 [2,0,0,0,0,0|2,0,0]=4 295 B6R1.2 CC1=CSC=N1 CS15621 [2,0,0,0,0,0|2,0,0]=4 296 B6R1.2 CC1=NC=CO1 CS11827 [2,0,0,0,0,0|1,0,0]=3 297 B6R1.2 CC1=NC=CS1 CS22598 [2,0,0,0,0,0|1,1,0]=4 298 B6R1.2 CC1=NN=CO1 CS12863 [2,0,0,0,0,0|2,0,0]=4 299 B6R1.2 CC1=NNC=C1 CS13720 [2,0,0,0,0,0|2,0,0]=4 300 B6R1.2 CC1=NOC=C1 CS11533 [2,0,0,0,0,0|2,0,0]=4 301 B6R1.2 CN1C=CC=C1 CS20770 [2,0,0,0,0,0|2,0,0]=4 302 B6R1.2 CN1C=CC=N1 CS19419 [2,0,0,0,0,0|2,0,0]=4 303 B6R1.2 ClC1=NC=CO1 MC106420 [2,0,0,0,0,0|2,0,0]=4 304 B6R1.2 IC1=CC=CS1 CS21616 [2,0,0,0,0,0|1,1,0]=4 305 B6R1.2 IC1=NC=CO1 MC103755 [2,0,0,0,0,0|2,0,0]=4 306 B6R1.2 NC1=NC=CO1 CS19070 [2,0,0,0,0,0|2,0,0]=4 307 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,1,1,0,0,0|0,1,1]=4 308 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,1,0,0,0,0|1,0,0]=3 309 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,1,0,0,0,0|1,1,0]=4 310 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [1,1,0,0,0,0|2,0,0]=4 312 B8R1.7 CC(C)C1=CC=CO1 MC428131 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.7 OB(O)C1=CC=CO1 CS22587 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.8 OCCC1=CC=CS1 CS14939 [1,1,0,0,0,0|1,1,0]=4 316 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [1,1,0,0,0,0|1,1,0]=4 317 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.18 CC1=CC(C)=NN1C CS19810 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [1,1,0,0,0,0|0,1,0]=3 320 B8R1.18 CC1=NN(C)C=C1I MC431130 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [1,1,0,0,0,0|1,1,0]=4 322 B8R1.50 CC1=CNC(C)=C1C CS16478 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.50 CC1=CSC(C)=C1Br CS16729 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.1 CSCC1=NC=C(Br)C=C1 MC112104 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.3 CCC1=CC=C(CCl)C=C1 MC40596 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.3 COC1=CC=C(CCl)C=C1 MC20866 [0,1,0,0,0,1|1,1,0]=4 331 B10R1.3 COC1=CC=C(CN)C=C1 CS18898 [0,1,0,0,0,1|1,1,0]=4 332 B10R1.3 COC1=CC=C(CN)C=N1 MC103395 [0,1,0,0,0,1|1,1,0]=4 333 B10R1.3 COC1=CC=C(CO)C=C1 CS22932 [0,1,0,0,0,1|1,1,0]=4 334 B10R1.3 COC1=CC=C(CO)C=N1 CS15243 [0,1,0,0,0,1|1,1,0]=4 335 B10R1.3 COC1=CC=C(OC)C=C1 MC41357 [0,1,0,0,0,1|1,1,0]=4 336 B10R1.3 COC1=CN=C(CBr)C=C1 CS18482 [0,1,0,0,0,1|1,1,0]=4 337 B10R1.3 COC1=CN=C(CCl)C=C1 CS12684 [0,1,0,0,0,1|1,1,0]=4 338 B10R1.3 COC1=CN=C(CCl)C=C1 MC105068 [0,1,0,0,0,1|1,1,0]=4 339 B10R1.3 COC1=CN=C(CN)C=C1 MC431302 [0,1,0,0,0,1|1,1,0]=4 340 B10R1.3 COC1=CN=C(CO)C=C1 MC443535 [0,1,0,0,0,1|1,1,0]=4 341 B10R1.3 COC1=NC=C(CBr)C=C1 CS17111 [0,1,0,0,0,1|1,1,0]=4 342 B10R1.3 COC1=NC=C(CCl)C=C1 CS16575 [0,1,0,0,0,1|1,1,0]=4 343 B10R1.3 CSC1=CC=C(CN)C=C1 MC433900 [0,1,0,0,0,1|1,0,0]=3 344 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.25 COC1=C(Cl)C=C(C)C=C1 MC442301 [0,1,0,0,0,1|1,1,0]=4 350 B10R1.25 COC1=C(N)C=C(C)C=C1 CS13548 [0,1,0,0,0,1|1,1,0]=4 351 B10R1.25 COC1=C(O)C=C(C)C=C1 MC442401 [0,1,0,0,0,1|1,1,0]=4 352 B10R1.25 COC1=CN=C(C)C=C1Br MC431792 [0,1,0,0,0,1|1,1,0]=4 353 B10R1.25 COC1=CN=C(C)C=C1N MC431793 [0,1,0,0,0,1|1,1,0]=4 354 B10R1.25 COC1=NC=C(C)C=C1Br CS12715 [0,1,0,0,0,1|1,1,0]=4 355 B10R1.25 CSC1=C(Br)C=C(Cl)C=C1 MC428294 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.25 CSC1=C(C)C=C(O)C=C1 MC20571 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.25 CSC1=C(F)C=C(F)C=C1 MC430845 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.25 CSC1=C(F)C=C(O)C=C1 MC431554 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.176 COC1=CC(Br)=C(C)C=C1 CS16376 [0,1,0,0,0,1|1,1,0]=4 360 B10R1.176 COC1=CC(Cl)=C(C)C=C1 MC41331 [0,1,0,0,0,1|1,1,0]=4 361 B10R1.176 COC1=CC(F)=C(C)C=C1 CS10872 [0,1,0,0,0,1|1,1,0]=4 362 B10R1.176 COC1=CC(N)=C(C)C=C1 CS14868 [0,1,0,0,0,1|1,1,0]=4 363 B10R1.176 COC1=CN=C(C)C(Br)=C1 MC104304 [0,1,0,0,0,1|1,1,0]=4 364 B10R1.176 CSC1=CC(F)=C(Br)C=C1 MC41376 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.176 CSC1=NC=C(C)C(=O)N1 MC103161 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 CS16643 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.2 COC1=C(C)C(C)=CC=C1 MC20206 [0,1,0,0,0,1|1,1,0]=4 368 B10R1.2 COC1=C(N)C(C)=CC=C1 MC427399 [0,1,0,0,0,1|1,1,0]=4 369 B10R1.2 COC1=NC=CC(C)=C1Br MC433060 [0,1,0,0,0,1|1,1,0]=4 370 B10R1.2 COC1=NC=CC(C)=C1N MC425798 [0,1,0,0,0,1|1,1,0]=4 371 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 MC20573 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.8 CCC1=CC(N)=NC(C)=N1 MC425886 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.8 COC1=CC(C)=CC(Br)=C1 CS20982 [0,1,0,0,0,1|1,1,0]=4 374 B10R1.8 COC1=CC(C)=CC(C)=C1 MC41339 [0,1,0,0,0,1|1,1,0]=4 375 B10R1.8 COC1=CC(C)=CC(Cl)=C1 MC443209 [0,1,0,0,0,1|1,1,0]=4 376 B10R1.8 COC1=CC(C)=CC(N)=C1 CS13172 [0,1,0,0,0,1|1,1,0]=4 377 B10R1.8 COC1=CC(Cl)=NC(C)=N1 CS12795 [0,1,0,0,0,1|1,1,0]=4 378 B10R1.8 CSC1=CC(Br)=CC(F)=C1 MC442272 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 MC20936 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 MC444335 [0,1,0,0,0,1|1,0,0]=3 381 B10R1.8 CSC1=CC(O)=CC(Br)=C1 MC441205 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 CS22708 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.8 CSC1=NC(Cl)=CC(N)=N1 CS17831 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.8 CSC1=NC(Cl)=CC(O)=N1 MC428128 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.8 CSC1=NC(O)=CC(O)=N1 CS17960 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.10 CNCC1=NC=CC(C)=N1 MC104234 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.30 CCC1=NC(C)=CC=C1O CS13984 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.30 CCC1=NC(C)=CC=C1O MC41617 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.30 COC1=C(Br)C=CC(C)=C1 MC20209 [0,1,0,0,0,1|1,1,0]=4 391 B10R1.30 COC1=C(O)C=CC(C)=C1 CS16322 [0,1,0,0,0,1|1,1,0]=4 392 B10R1.30 COC1=NC(C)=CC=C1Br CS19284 [0,1,0,0,0,1|1,1,0]=4 393 B10R1.30 COC1=NC(C)=CC=C1F MC103284 [0,1,0,0,0,1|1,1,0]=4 394 B10R1.30 COC1=NC(C)=CC=C1N CS13867 [0,1,0,0,0,1|1,1,0]=4 395 B10R1.30 CSC1=NC(Cl)=NC=C1Br MC442839 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.30 CSC1=NC(Cl)=NC=C1F MC430450 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.113 CC1=NC=CC(C(C)N)=C1 MC110560 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.172 CNC1=CC=CC(CO)=C1 MC115827 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.172 CNC1=CC=CC(NC)=C1 MC40949 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.172 COC1=CC(CN)=NC=C1 CS12102 [0,1,0,0,0,1|1,1,0]=4 406 B10R1.172 COC1=CC(CN)=NC=C1 MC443540 [0,1,0,0,0,1|1,1,0]=4 407 B10R1.172 COC1=CC(CO)=NC=C1 MC31070 [0,1,0,0,0,1|1,1,0]=4 408 B10R1.172 COC1=CC(OC)=NC=C1 CS18092 [0,1,0,0,0,1|1,1,0]=4 409 B10R1.172 COC1=CC=CC(CCl)=C1 MC10324 [0,1,0,0,0,1|1,1,0]=4 410 B10R1.172 COC1=CC=CC(CCl)=N1 CS16831 [0,1,0,0,0,1|1,1,0]=4 411 B10R1.172 COC1=CC=CC(CN)=C1 CS19097 [0,1,0,0,0,1|1,1,0]=4 412 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [0,1,0,0,0,1|1,1,0]=4 413 B10R1.172 COC1=CC=CC(OC)=C1 CS19845 [0,1,0,0,0,1|1,1,0]=4 414 B10R1.172 COC1=CC=CC(OC)=N1 MC433065 [0,1,0,0,0,1|1,1,0]=4 415 B10R1.172 COC1=CN=CC(OC)=C1 CS17332 [0,1,0,0,0,1|1,1,0]=4 416 B10R1.172 COC1=CN=CC(OC)=N1 MC425619 [0,1,0,0,0,1|1,1,0]=4 417 B10R1.172 COC1=NC(OC)=NC=C1 CS19530 [0,1,0,0,0,1|1,1,0]=4 418 B10R1.172 COC1=NC=CC(CN)=C1 CS16830 [0,1,0,0,0,1|1,1,0]=4 419 B10R1.172 COC1=NC=CC(CO)=C1 CS12823 [0,1,0,0,0,1|1,1,0]=4 420 B10R1.172 COC1=NC=CC(CO)=N1 MC103739 [0,1,0,0,0,1|1,1,0]=4 421 B10R1.172 CSC1=NC=CC(C#N)=N1 MC113286 [0,1,0,0,0,1|1,0,1]=4 422 B10R1.172 CSC1=NC=CC(C=O)=N1 CS19811 [0,1,0,0,0,1|1,0,1]=4 423 B10R1.172 CSC1=NC=CC(CO)=N1 MC432112 [0,1,0,0,0,1|1,0,0]=3 424 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,2,0,0,0,0|1,0,0]=3 425 B10R1.14 CCC(N)C1=CC=C(C)O1 CS16467 [0,2,0,0,0,0|1,0,0]=3 426 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,2,0,0,0,0|1,1,0]=4 427 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,2,0,0,0,0|1,1,0]=4 428 B10R1.16 CC1=CC=C(\C=C\C=O)O1 CS17008 [0,2,0,0,0,0|1,0,1]=4 429 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.31 OCC1=CC=C(B(O)O)O1 MC114366 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.55 CC1=CC=C(C(F)(F)F)O1 MC429054 [0,2,0,0,0,0|2,0,0]=4 432 B8R1.2 CSC1=CC=CC=C1 MC439137 [0,0,1,1,0,0|1,0,1]=4 433 B8R1.2 CSC1=NC=CC=C1 MC41628 [0,0,1,1,0,0|1,0,1]=4 434 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [0,0,1,1,0,0|2,0,0]=4 435 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [0,0,1,1,0,0|1,0,1]=4 436 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [0,0,1,1,0,0|2,0,0]=4 437 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [0,0,1,1,0,0|2,0,0]=4 438 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [0,0,1,1,0,0|2,0,0]=4 439 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [0,0,1,1,0,0|1,0,1]=4 440 B8R1.5 CC1=CC=CC=C1O CS11813 [0,0,1,1,0,0|1,0,1]=4 441 B8R1.5 CC1=NC=CC=C1O MC20374 [0,0,1,1,0,0|2,0,0]=4