0 B7R1.2 BrC1=CSC(Br)=C1 SBB099511 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 BrC1=CSC(Br)=N1 SBB054426 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 CC1=CC(=O)NO1 SBB055813 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.2 CC1=CC(C)=NN1 SBB004377 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 CC1=CC(C)=NO1 SBB042637 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 CC1=CC(N)=NO1 SBB005553 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 CC1=CC=C(C)N1 SBB059455 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.2 CC1=CC=C(Cl)S1 SBB054408 [0,0,0,0,0,0|1,1,0]=2 8 B7R1.2 CC1=CN(C)C=N1 SBB073385 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=CN(C)N=C1 SBB073292 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=CN=C(Br)S1 SBB054420 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.2 CC1=CN=C(N)S1 SBB028194 [0,0,0,0,0,0|2,1,0]=3 12 B7R1.2 CC1=CNC(C)=C1 SBB059454 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.2 CC1=COC(N)=N1 SBB051930 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 CC1=CSC(Br)=N1 SBB054421 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 CC1=CSC(S)=N1 SBB041075 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 CC1=NN(C)C=C1 SBB015024 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.2 CC1=NN=C(Br)S1 SBB041010 [0,0,0,0,0,0|3,1,0]=4 18 B7R1.2 CC1=NN=C(Cl)S1 SBB111880 [0,0,0,0,0,0|3,1,0]=4 19 B7R1.2 CC1=NN=C(I)S1 SBB116057 [0,0,0,0,0,0|3,1,0]=4 20 B7R1.2 CC1=NN=C(N)O1 SBB046365 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.2 CC1=NN=C(N)S1 SBB000045 [0,0,0,0,0,0|3,1,0]=4 22 B7R1.2 CC1=NN=C(S)N1 SBB024699 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 CC1=NNC(=S)S1 SBB041073 [0,0,0,0,0,0|3,1,0]=4 24 B7R1.2 CC1=NNC(C)=N1 SBB108831 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.2 CC1=NNC(Cl)=N1 SBB019449 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 CC1=NNC(N)=C1 SBB004375 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CC1=NNC(N)=N1 SBB013163 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.2 CC1=NOC(N)=C1 SBB006539 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CC1=NSC(N)=C1 SBB004066 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 CC1=NSC(N)=N1 SBB005481 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.2 CN1C=C(Br)C=N1 SBB019150 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.2 CN1C=C(Cl)C=N1 SBB047361 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.2 CN1C=C(I)C=N1 SBB027265 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.2 CN1C=C(N)C=N1 SBB009607 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.2 CN1C=CC(Br)=N1 SBB051488 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.2 CN1C=CC(I)=N1 SBB093951 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.2 CN1C=CC(N)=N1 SBB019460 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.2 CN1C=NC(N)=N1 SBB073304 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.2 ClC1=CSC(Cl)=N1 SBB086954 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.2 IC1=CC=C(I)S1 SBB058942 [0,0,0,0,0,0|2,1,0]=3 41 B7R1.2 IC1=CNC(I)=N1 SBB054454 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.2 N1C=C(C)N=C1C SBB004378 [0,0,0,0,0,0|2,0,0]=2 43 B7R1.2 N1C=C(C)N=C1S SBB059569 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.2 NC1=CC=C(S)S1 SBB000065 [0,0,0,0,0,0|2,1,0]=3 46 B7R1.2 NC1=NC(C)=CS1 SBB004307 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.2 NC1=NC=C(Br)S1 SBB000204 [0,0,0,0,0,0|3,1,0]=4 48 B7R1.2 NC1=NC=C(Br)S1 SBB051923 [0,0,0,0,0,0|3,1,0]=4 49 B7R1.2 NC1=NC=C(Cl)S1 SBB003849 [0,0,0,0,0,0|3,1,0]=4 50 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [0,0,0,0,0,0|2,0,0]=2 51 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,0,0,0,0,0|2,0,2]=4 52 B7R1.2 SC1=NN=C(C)S1 SBB004217 [0,0,0,0,0,0|3,1,0]=4 53 B6R1.2 BrC1=CC=CO1 SBB054415 [1,0,0,0,0,0|1,0,0]=2 54 B6R1.2 BrC1=CC=CS1 SBB003931 [1,0,0,0,0,0|1,1,0]=3 55 B6R1.2 BrC1=CC=NN1 SBB062821 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 BrC1=CC=NS1 SBB027176 [1,0,0,0,0,0|2,1,0]=4 57 B6R1.2 BrC1=CN=CS1 SBB054428 [1,0,0,0,0,0|2,1,0]=4 58 B6R1.2 BrC1=COC=C1 SBB004098 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 BrC1=CSC=C1 SBB003930 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 BrC1=NC=CN1 SBB054452 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 BrC1=NC=CS1 SBB003918 [1,0,0,0,0,0|2,1,0]=4 62 B6R1.2 CC1=CN=CS1 SBB055804 [1,0,0,0,0,0|1,1,0]=3 63 B6R1.2 CC1=CNN=C1 SBB004402 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 CC1=CON=C1 SBB025727 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 CC1=NC=CN1 SBB040944 [1,0,0,0,0,0|2,0,0]=3 66 B6R1.2 CC1=NN=CN1 SBB025943 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 CC1=NNC=C1 SBB004404 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 CN1C=CC=N1 SBB013729 [1,0,0,0,0,0|2,0,0]=3 69 B6R1.2 CN1C=CN=C1 SBB007574 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 ClC1=NC=CS1 SBB054425 [1,0,0,0,0,0|2,1,0]=4 71 B6R1.2 FC1=CC=CS1 SBB073288 [1,0,0,0,0,0|1,1,0]=3 72 B6R1.2 IC1=CC=CS1 SBB054409 [1,0,0,0,0,0|1,1,0]=3 73 B6R1.2 IC1=CNC=N1 SBB054451 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 IC1=NC=CN1 SBB054450 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 N1C=CC(I)=N1 SBB091657 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 NC1=CN=CN1 SBB017132 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 NC1=CN=CS1 SBB069743 [1,0,0,0,0,0|2,1,0]=4 78 B6R1.2 NC1=NC=CN1 SBB001015 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 NC1=NC=CN1 SBB051944 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 NC1=NC=CN1 SBB051945 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 NC1=NC=CO1 SBB019333 [1,0,0,0,0,0|2,0,0]=3 82 B6R1.2 NC1=NC=CS1 SBB000070 [1,0,0,0,0,0|2,1,0]=4 83 B6R1.2 NC1=NC=CS1 SBB028135 [1,0,0,0,0,0|2,1,0]=4 84 B6R1.2 NC1=NNC=C1 SBB004401 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 NC1=NOC=C1 SBB051928 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 O=C1C=CCO1 SBB040281 [1,0,0,0,0,0|1,0,1]=3 87 B6R1.2 O=C1NC=CN1 SBB071638 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 SC1=CC=CS1 SBB059094 [1,0,0,0,0,0|1,1,0]=3 89 B6R1.2 SC1=NC=CN1 SBB004368 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 SC1=NC=CS1 SBB066357 [1,0,0,0,0,0|2,1,0]=4 91 B8R1.1 C#CC1=NN(C)C=C1 SBB116170 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.1 C(=O)C1=CC=C(C)S1 SBB004249 [0,1,0,0,0,0|0,1,1]=3 93 B8R1.1 C(=O)C1=CC=C(Cl)O1 SBB004223 [0,1,0,0,0,0|1,0,1]=3 94 B8R1.1 C(=O)C1=CC=C(Cl)S1 SBB004100 [0,1,0,0,0,0|1,1,1]=4 95 B8R1.1 C(=O)C1=CC=C(F)S1 SBB027017 [0,1,0,0,0,0|1,1,1]=4 96 B8R1.1 CC1=CC(CBr)=NO1 SBB089113 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 CC1=CC(CCl)=NO1 SBB026481 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CC1=CC(CN)=NO1 SBB018900 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.1 CC1=CC(CO)=CS1 SBB017457 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.1 CC1=CC(CO)=NO1 SBB025974 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.1 CC1=CC=C(C=O)O1 SBB040222 [0,1,0,0,0,0|0,0,1]=2 102 B8R1.1 CC1=CC=C(CN)O1 SBB047770 [0,1,0,0,0,0|0,0,0]=1 103 B8R1.1 CC1=CN(CCl)N=C1 SBB031559 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.1 CC1=CN(CO)N=C1 SBB023299 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.1 CC1=CN=C(C=O)S1 SBB052287 [0,1,0,0,0,0|1,1,1]=4 106 B8R1.1 CC1=CN=C(CO)S1 SBB054807 [0,1,0,0,0,0|1,1,0]=3 107 B8R1.1 CC1=CSC(CO)=N1 SBB054809 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.1 CC1=NC(C#N)=CS1 SBB085571 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.1 CC1=NC(C=O)=CN1 SBB052314 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.1 CC1=NC(C=O)=CS1 SBB085686 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.1 CC1=NC(CCl)=CS1 SBB005574 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 CC1=NC(CCl)=CS1 SBB054934 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.1 CC1=NC(CCl)=NO1 SBB014359 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.1 CC1=NC(CN)=CS1 SBB052476 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.1 CC1=NC(CN)=NO1 SBB018524 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.1 CC1=NC(CO)=NO1 SBB018815 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.1 CC1=NC=C(C=O)S1 SBB018895 [0,1,0,0,0,0|1,1,1]=4 118 B8R1.1 CC1=NN=C(CCl)O1 SBB012831 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.1 CC1=NN=C(CN)O1 SBB018726 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.1 CC1=NNC(CN)=C1 SBB027644 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 CC1=NNC(CN)=N1 SBB013189 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 CC1=NNC(CO)=C1 SBB080476 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 CC1=NOC(CCl)=N1 SBB014390 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 CC1=NOC(CN)=C1 SBB026727 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.1 CC1=NOC(CO)=C1 SBB025975 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.1 CCC1=NN=C(N)O1 SBB059512 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.1 CCN1C=CC(Br)=N1 SBB054434 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.1 CCN1C=CC(C)=N1 SBB020339 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.1 CCN1C=CC(I)=N1 SBB116216 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 CCN1C=CC(N)=N1 SBB020916 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.1 CN1C=C(CCl)C=N1 SBB026129 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.1 CN1C=C(CN)C=N1 SBB000039 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.1 CN1C=C(CO)C=N1 SBB022156 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.1 CN1C=CC(C#N)=N1 SBB021945 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.1 CN1C=CC(C=O)=N1 SBB020577 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.1 CN1C=CC(CCl)=N1 SBB054941 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.1 CN1C=CC(CN)=N1 SBB020585 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.1 CN1C=CC(CO)=N1 SBB073640 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.1 ClCC1=CN=C(Cl)S1 SBB070711 [0,1,0,0,0,0|2,1,0]=4 141 B8R1.1 N#CC1=CC=C(Br)O1 SBB000174 [0,1,0,0,0,0|1,0,1]=3 142 B8R1.1 N#CC1=CC=C(F)S1 SBB116496 [0,1,0,0,0,0|1,1,1]=4 143 B8R1.1 N1C=C(C)N=C1CC SBB004334 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.1 NC1=NC(CCl)=CS1 SBB027575 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.1 NC1=NC(CCl)=CS1 SBB090242 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.1 NC1=NC(CO)=CS1 SBB014800 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.1 NC1=NC=C(CO)S1 SBB054810 [0,1,0,0,0,0|2,1,0]=4 148 B8R1.1 NCC1=CC=C(Br)O1 SBB014655 [0,1,0,0,0,0|1,0,0]=2 149 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [0,1,0,0,0,0|1,0,1]=3 150 B8R1.1 O=CC1=CC=C(Br)O1 SBB047477 [0,1,0,0,0,0|1,0,1]=3 151 B8R1.1 O=CC1=CC=C(Br)S1 SBB000294 [0,1,0,0,0,0|1,1,1]=4 152 B8R1.1 O=CC1=CC=C(I)O1 SBB039297 [0,1,0,0,0,0|1,0,1]=3 153 B8R1.1 OCC1=CC(Br)=CS1 SBB091532 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.1 OCC1=CC=C(Br)S1 SBB068487 [0,1,0,0,0,0|1,1,0]=3 155 B8R1.1 OCC1=CC=C(F)S1 SBB073359 [0,1,0,0,0,0|1,1,0]=3 156 B8R1.1 OCC1=CN=C(Cl)S1 SBB086668 [0,1,0,0,0,0|2,1,0]=4 157 B8R1.18 CC1=C(Br)SC(N)=N1 SBB070340 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.18 CC1=C(C)NC(=S)N1 SBB014699 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.18 CC1=C(C)OC(=O)O1 SBB017270 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.18 CC1=C(C)SC(Br)=N1 SBB110187 [0,1,0,0,0,0|2,1,0]=4 161 B8R1.18 CC1=C(C)SC(N)=N1 SBB003911 [0,1,0,0,0,0|2,1,0]=4 162 B8R1.18 CC1=C(C)SC(N)=N1 SBB028421 [0,1,0,0,0,0|2,1,0]=4 163 B8R1.18 CC1=C(C)SC(N)=N1 SBB037835 [0,1,0,0,0,0|2,1,0]=4 164 B8R1.18 CC1=C(C)SC(S)=N1 SBB059522 [0,1,0,0,0,0|2,1,0]=4 165 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,1,0,0,0,0|0,0,1]=2 166 B8R1.18 CC1=CC(Br)=NN1C SBB116193 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.18 CC1=CC(C)=NN1C SBB055828 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.18 CC1=CC(I)=NN1C SBB116210 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.18 CC1=CC(N)=NN1C SBB009548 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.18 CC1=CN(C)N=C1N SBB027022 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.18 CC1=NC(C)=C(Br)S1 SBB054427 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.18 CC1=NN(C)C(=O)C1 SBB055838 [0,1,0,0,0,0|2,0,1]=4 173 B8R1.18 CC1=NN(C)C(Cl)=C1 SBB054432 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.18 CC1=NN(C)C(F)=C1 SBB116432 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.18 CC1=NN(C)C(N)=C1 SBB022916 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.18 CC1=NN(C)C=C1Br SBB005613 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.18 CC1=NN(C)C=C1Cl SBB046655 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.18 CC1=NN(C)C=C1I SBB051457 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.18 CC1=NN(C)C=C1N SBB009353 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.18 CN1C=C(Br)C(N)=N1 SBB028137 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.18 CN1C=C(Cl)C(N)=N1 SBB022306 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.18 CN1C=C(I)C(N)=N1 SBB074169 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.18 ClC1=CC(Br)=C(Cl)S1 SBB097839 [0,1,0,0,0,0|2,1,0]=4 184 B8R1.18 ClC1=CC(Cl)=C(Cl)S1 SBB058331 [0,1,0,0,0,0|2,1,0]=4 185 B8R1.50 CC1=CC=C(C)N1N SBB059489 [0,1,0,0,0,0|1,0,0]=2 186 B8R1.50 CC1=NN=C(C)N1N SBB000041 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.50 CC1=NNC(C)=C1Br SBB000189 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.50 CC1=NNC(C)=C1C SBB047376 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.50 CC1=NNC(C)=C1Cl SBB000063 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.50 CC1=NNC(C)=C1I SBB025983 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.50 CC1=NNC(C)=C1N SBB007105 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.50 CC1=NOC(C)=C1Br SBB003784 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.50 CC1=NOC(C)=C1I SBB054430 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.50 CC1=NOC(C)=C1N SBB005896 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.1 C=CC(=O)OCC SBB060348 [0,0,1,0,0,0|1,0,1]=3 196 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,0,1,0,0,0|1,0,0]=2 197 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,1,0,0,0|3,0,0]=4 199 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,1,0,0,0|3,0,0]=4 200 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,0,1,0,0,0|3,0,0]=4 201 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,0,1,0,0,0|1,0,1]=3 202 B8R1.3 BrC1=CC=C(Br)N=N1 SBB054546 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.3 BrC1=CC=C(I)C=N1 SBB013974 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.3 BrC1=CN=C(Br)C=C1 SBB054335 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.3 BrC1=CN=C(I)C=C1 SBB054355 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.3 CC1=CC=C(Br)C=C1 SBB040884 [0,0,0,0,0,1|2,0,0]=3 207 B8R1.3 CC1=CC=C(Br)C=N1 SBB088566 [0,0,0,0,0,1|2,0,0]=3 208 B8R1.3 CC1=CC=C(C)N=C1 SBB060370 [0,0,0,0,0,1|1,0,0]=2 209 B8R1.3 CC1=CC=C(Cl)C=C1 SBB040887 [0,0,0,0,0,1|2,0,0]=3 210 B8R1.3 CC1=CC=C(N)C=C1 SBB040498 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.3 CC1=CC=C(N)C=C1 SBB073002 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.3 CC1=CC=C(N)C=N1 SBB051894 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.3 CC1=CC=C(N)N=N1 SBB051974 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.3 CC1=CC=C(O)N=N1 SBB051111 [0,0,0,0,0,1|2,0,0]=3 216 B8R1.3 CC1=CN=C(Br)C=C1 SBB054301 [0,0,0,0,0,1|2,0,0]=3 217 B8R1.3 CC1=CN=C(Br)C=N1 SBB054471 [0,0,0,0,0,1|3,0,0]=4 218 B8R1.3 CC1=CN=C(C)C=N1 SBB058647 [0,0,0,0,0,1|2,0,0]=3 219 B8R1.3 CC1=CN=C(Cl)C=C1 SBB085698 [0,0,0,0,0,1|2,0,0]=3 220 B8R1.3 CC1=CN=C(N)C=C1 SBB004353 [0,0,0,0,0,1|2,0,0]=3 221 B8R1.3 CC1=CN=C(N)C=N1 SBB069755 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.3 CC1=CN=C(O)C=C1 SBB055600 [0,0,0,0,0,1|2,0,0]=3 223 B8R1.3 CC1=CN=C(O)N=C1 SBB026947 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.3 CC1=CN=C(S)C=C1 SBB068990 [0,0,0,0,0,1|2,0,0]=3 225 B8R1.3 CC1=CN=C(S)N=C1 SBB021424 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.3 CC1=CNC(=O)C=C1 SBB040121 [0,0,0,0,0,1|2,0,0]=3 227 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [0,0,0,0,0,1|2,0,0]=3 228 B8R1.3 CC1=NN=C(Cl)C=C1 SBB039123 [0,0,0,0,0,1|2,0,0]=3 229 B8R1.3 ClC1=CC=C(Br)C=C1 SBB060209 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.3 ClC1=CC=C(Br)C=N1 SBB013973 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.3 ClC1=CC=C(I)C=N1 SBB013975 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.3 ClC1=CC=C(I)N=N1 SBB054548 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.3 ClC1=CN=C(Br)C=C1 SBB054397 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.3 ClC1=CN=C(Cl)C=C1 SBB054354 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.3 ClC1=CN=C(I)C=C1 SBB054334 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.3 ClC1=NN=C(Cl)C=C1 SBB058457 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.3 FC1=CC=C(Br)C=C1 SBB088991 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.3 FC1=CC=C(Br)N=C1 SBB089107 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.3 FC1=CC=C(Cl)C=C1 SBB085775 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.3 FC1=CC=C(I)C=C1 SBB096227 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.3 FC1=CC=C(I)C=N1 SBB013899 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.3 FC1=CN=C(Cl)C=C1 SBB085793 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.3 FC1=NC=C(Br)C=C1 SBB089108 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.3 FC1=NC=C(Cl)C=C1 SBB085795 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.3 IC1=CC=C(I)N=N1 SBB054544 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.3 NC1=CC=C(Br)C=C1 SBB040491 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.3 NC1=CC=C(Br)N=C1 SBB005540 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.3 NC1=CC=C(Cl)C=C1 SBB040490 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.3 NC1=CC=C(Cl)N=C1 SBB004234 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.3 NC1=CC=C(F)C=C1 SBB040453 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.3 NC1=CC=C(F)N=C1 SBB051873 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.3 NC1=CC=C(I)C=N1 SBB028436 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.3 NC1=CC=C(I)N=N1 SBB051975 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.3 NC1=CC=C(O)C=C1 SBB059792 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.3 NC1=CC=C(O)N=C1 SBB028187 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.3 NC1=CC=C(S)C=C1 SBB059850 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.3 NC1=CN=C(I)C=C1 SBB070540 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.3 NC1=CN=C(N)C=C1 SBB004342 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.3 NC1=NC=C(Br)C=C1 SBB003823 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.3 NC1=NC=C(Cl)C=C1 SBB000059 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.3 NC1=NC=C(F)C=C1 SBB013948 [0,0,0,0,0,1|3,0,0]=4 262 B8R1.3 NC1=NN=C(Cl)C=C1 SBB005487 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.3 O=C1C=CC(=O)C=C1 SBB058657 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.3 O=C1C=CC(Br)=CN1 SBB003806 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.3 O=C1C=CC(Cl)=CN1 SBB004227 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.3 OC1=CC=C(Br)C=C1 SBB040917 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.3 OC1=CC=C(Cl)C=C1 SBB040864 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.3 OC1=CC=C(F)C=C1 SBB040810 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.3 OC1=CC=C(O)C=C1 SBB060421 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.3 OC1=CN=C(Cl)C=C1 SBB054276 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.3 OC1=NC=C(Br)C=C1 SBB054347 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.3 OC1=NC=C(Cl)C=C1 SBB054352 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.3 OC1=NC=C(I)C=C1 SBB054372 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.3 OC1=NN=C(O)C=C1 SBB004322 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.3 SC1=CC=C(Br)C=C1 SBB055148 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.4 BrC1=CC(I)=CC=N1 SBB013971 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.4 BrC1=CC=CC(Br)=N1 SBB059469 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.4 BrC1=CC=NC(Br)=C1 SBB013976 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.4 BrC1=CC=NC(Br)=N1 SBB054494 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.4 BrC1=CN=CC(Br)=C1 SBB003237 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.4 BrC1=CN=CC(Br)=C1 SBB003238 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.4 BrC1=NC(I)=CC=C1 SBB054359 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.4 CC1=CC(=O)NC=C1 SBB004346 [0,0,0,0,0,1|2,0,0]=3 284 B8R1.4 CC1=CC(=O)NN=C1 SBB055936 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.4 CC1=CC(Br)=NC=C1 SBB054348 [0,0,0,0,0,1|2,0,0]=3 286 B8R1.4 CC1=CC(C)=NC=N1 SBB059547 [0,0,0,0,0,1|2,0,0]=3 287 B8R1.4 CC1=CC(Cl)=NC=C1 SBB054263 [0,0,0,0,0,1|2,0,0]=3 288 B8R1.4 CC1=CC(F)=NC=C1 SBB054405 [0,0,0,0,0,1|2,0,0]=3 289 B8R1.4 CC1=CC(N)=CC=C1 SBB040444 [0,0,0,0,0,1|2,0,0]=3 290 B8R1.4 CC1=CC(N)=NC=C1 SBB004354 [0,0,0,0,0,1|2,0,0]=3 291 B8R1.4 CC1=CC(O)=CC=C1 SBB060101 [0,0,0,0,0,1|2,0,0]=3 292 B8R1.4 CC1=CC(O)=NC=N1 SBB081936 [0,0,0,0,0,1|3,0,0]=4 293 B8R1.4 CC1=CC=CC(=O)N1 SBB004345 [0,0,0,0,0,1|2,0,0]=3 294 B8R1.4 CC1=CC=CC(Br)=C1 SBB060207 [0,0,0,0,0,1|2,0,0]=3 295 B8R1.4 CC1=CC=CC(Br)=N1 SBB054376 [0,0,0,0,0,1|2,0,0]=3 296 B8R1.4 CC1=CC=CC(C)=N1 SBB060371 [0,0,0,0,0,1|1,0,0]=2 297 B8R1.4 CC1=CC=CC(Cl)=N1 SBB048080 [0,0,0,0,0,1|2,0,0]=3 298 B8R1.4 CC1=CC=CC(F)=C1 SBB061650 [0,0,0,0,0,1|2,0,0]=3 299 B8R1.4 CC1=CC=CC(I)=N1 SBB054318 [0,0,0,0,0,1|2,0,0]=3 300 B8R1.4 CC1=CC=CC(N)=N1 SBB004355 [0,0,0,0,0,1|2,0,0]=3 301 B8R1.4 CC1=CC=NC(=O)N1 SBB004102 [0,0,0,0,0,1|2,0,0]=3 302 B8R1.4 CC1=CC=NC(=S)N1 SBB003935 [0,0,0,0,0,1|2,0,0]=3 303 B8R1.4 CC1=CC=NC(C)=C1 SBB060369 [0,0,0,0,0,1|1,0,0]=2 304 B8R1.4 CC1=CC=NC(N)=N1 SBB004343 [0,0,0,0,0,1|2,0,0]=3 305 B8R1.4 CC1=CN=CC(Br)=C1 SBB054290 [0,0,0,0,0,1|2,0,0]=3 306 B8R1.4 CC1=CN=CC(Br)=N1 SBB054472 [0,0,0,0,0,1|2,0,0]=3 307 B8R1.4 CC1=CN=CC(C)=C1 SBB060372 [0,0,0,0,0,1|1,0,0]=2 308 B8R1.4 CC1=CN=CC(Cl)=N1 SBB054461 [0,0,0,0,0,1|2,0,0]=3 309 B8R1.4 CC1=CN=CC(N)=C1 SBB051822 [0,0,0,0,0,1|2,0,0]=3 310 B8R1.4 CC1=CN=CC(N)=N1 SBB051946 [0,0,0,0,0,1|2,0,0]=3 311 B8R1.4 CC1=CN=CC(O)=C1 SBB055598 [0,0,0,0,0,1|2,0,0]=3 312 B8R1.4 CC1=CN=NC(Cl)=C1 SBB054545 [0,0,0,0,0,1|3,0,0]=4 313 B8R1.4 CC1=NC(=S)NC=C1 SBB003934 [0,0,0,0,0,1|2,0,0]=3 314 B8R1.4 CC1=NC(Cl)=NC=C1 SBB054509 [0,0,0,0,0,1|2,0,0]=3 315 B8R1.4 CC1=NC(S)=NC=C1 SBB055918 [0,0,0,0,0,1|2,0,0]=3 316 B8R1.4 CC1=NC=CC(Br)=C1 SBB088565 [0,0,0,0,0,1|2,0,0]=3 317 B8R1.4 CC1=NC=CC(Cl)=N1 SBB085538 [0,0,0,0,0,1|2,0,0]=3 318 B8R1.4 CC1=NC=CC(N)=C1 SBB027134 [0,0,0,0,0,1|2,0,0]=3 319 B8R1.4 CC1=NC=NC(Cl)=C1 SBB039515 [0,0,0,0,0,1|3,0,0]=4 320 B8R1.4 ClC1=CC(Br)=NC=C1 SBB054398 [0,0,0,0,0,1|3,0,0]=4 321 B8R1.4 ClC1=CC=CC(Cl)=N1 SBB040849 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.4 ClC1=CC=CC(I)=C1 SBB098968 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.4 ClC1=CC=NC(Cl)=C1 SBB013978 [0,0,0,0,0,1|3,0,0]=4 324 B8R1.4 ClC1=CN=CC(Cl)=N1 SBB054463 [0,0,0,0,0,1|3,0,0]=4 325 B8R1.4 ClC1=NC(Cl)=NC=C1 SBB048117 [0,0,0,0,0,1|3,0,0]=4 326 B8R1.4 ClC1=NC=CC(Br)=C1 SBB054396 [0,0,0,0,0,1|3,0,0]=4 327 B8R1.4 ClC1=NC=CC(I)=C1 SBB054361 [0,0,0,0,0,1|3,0,0]=4 328 B8R1.4 FC1=CC(Br)=CC=C1 SBB088990 [0,0,0,0,0,1|3,0,0]=4 329 B8R1.4 FC1=CC(Br)=CN=C1 SBB054265 [0,0,0,0,0,1|3,0,0]=4 330 B8R1.4 FC1=CC(Br)=NC=C1 SBB089109 [0,0,0,0,0,1|3,0,0]=4 331 B8R1.4 FC1=CC(I)=CC=C1 SBB096228 [0,0,0,0,0,1|3,0,0]=4 332 B8R1.4 FC1=CC=CC(Br)=N1 SBB089103 [0,0,0,0,0,1|3,0,0]=4 333 B8R1.4 FC1=CC=CC(Cl)=C1 SBB085773 [0,0,0,0,0,1|3,0,0]=4 334 B8R1.4 FC1=CC=NC(Cl)=C1 SBB013977 [0,0,0,0,0,1|3,0,0]=4 335 B8R1.4 FC1=CN=CC(Cl)=C1 SBB085794 [0,0,0,0,0,1|3,0,0]=4 336 B8R1.4 FC1=CN=CC(F)=C1 SBB054377 [0,0,0,0,0,1|3,0,0]=4 337 B8R1.4 FC1=NC=CC(Br)=C1 SBB089106 [0,0,0,0,0,1|3,0,0]=4 338 B8R1.4 FC1=NC=CC(Cl)=C1 SBB054331 [0,0,0,0,0,1|3,0,0]=4 339 B8R1.4 FC1=NC=CC(I)=C1 SBB054283 [0,0,0,0,0,1|3,0,0]=4 340 B8R1.4 NC1=CC(Br)=CC=C1 SBB040484 [0,0,0,0,0,1|3,0,0]=4 341 B8R1.4 NC1=CC(Br)=CN=C1 SBB044004 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.4 NC1=CC(Br)=NC=C1 SBB028374 [0,0,0,0,0,1|3,0,0]=4 343 B8R1.4 NC1=CC(Cl)=CN=C1 SBB069846 [0,0,0,0,0,1|3,0,0]=4 344 B8R1.4 NC1=CC(Cl)=NC=C1 SBB004235 [0,0,0,0,0,1|3,0,0]=4 345 B8R1.4 NC1=CC(N)=NC=C1 SBB069750 [0,0,0,0,0,1|3,0,0]=4 346 B8R1.4 NC1=CC(O)=CC=C1 SBB059791 [0,0,0,0,0,1|3,0,0]=4 347 B8R1.4 NC1=CC=CC(Br)=N1 SBB028373 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.4 NC1=CC=CC(Cl)=C1 SBB040450 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.4 NC1=CC=CC(F)=C1 SBB059856 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.4 NC1=CC=CC(N)=N1 SBB004340 [0,0,0,0,0,1|3,0,0]=4 351 B8R1.4 NC1=NC(=O)NC=C1 SBB071711 [0,0,0,0,0,1|3,0,0]=4 352 B8R1.4 NC1=NC(Cl)=CC=C1 SBB028231 [0,0,0,0,0,1|3,0,0]=4 353 B8R1.4 NC1=NC(Cl)=CC=N1 SBB042043 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.4 NC1=NC(Cl)=CN=C1 SBB005488 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.4 NC1=NC(Cl)=NC=C1 SBB085748 [0,0,0,0,0,1|3,0,0]=4 356 B8R1.4 NC1=NC(F)=CC=C1 SBB069764 [0,0,0,0,0,1|3,0,0]=4 357 B8R1.4 NC1=NC=CC(Br)=C1 SBB016050 [0,0,0,0,0,1|3,0,0]=4 358 B8R1.4 NC1=NC=CC(Br)=N1 SBB088837 [0,0,0,0,0,1|3,0,0]=4 359 B8R1.4 NC1=NC=CC(Cl)=C1 SBB051892 [0,0,0,0,0,1|3,0,0]=4 360 B8R1.4 NC1=NC=CC(F)=C1 SBB051908 [0,0,0,0,0,1|3,0,0]=4 361 B8R1.4 O=C1C=C(I)C=CN1 SBB054248 [0,0,0,0,0,1|3,0,0]=4 362 B8R1.4 O=C1C=CC=C(Cl)N1 SBB004228 [0,0,0,0,0,1|3,0,0]=4 363 B8R1.4 O=C1C=CC=C(O)N1 SBB004090 [0,0,0,0,0,1|3,0,0]=4 364 B8R1.4 O=C1C=CNC(=O)N1 SBB058492 [0,0,0,0,0,1|3,0,0]=4 365 B8R1.4 OC1=CC(Cl)=CN=C1 SBB054268 [0,0,0,0,0,1|3,0,0]=4 366 B8R1.4 OC1=CC=CC(Cl)=C1 SBB061136 [0,0,0,0,0,1|3,0,0]=4 367 B8R1.4 OC1=CC=CC(O)=C1 SBB040843 [0,0,0,0,0,1|3,0,0]=4 368 B8R1.4 OC1=CC=NC(Cl)=C1 SBB085746 [0,0,0,0,0,1|3,0,0]=4 369 B8R1.4 OC1=CC=NC(O)=C1 SBB004331 [0,0,0,0,0,1|3,0,0]=4 370 B8R1.4 OC1=CN=CC(Br)=C1 SBB081337 [0,0,0,0,0,1|3,0,0]=4 371 B8R1.4 OC1=CN=CC(F)=C1 SBB062707 [0,0,0,0,0,1|3,0,0]=4 372 B8R1.4 OC1=NC(C)=CC=N1 SBB004337 [0,0,0,0,0,1|2,0,0]=3 373 B8R1.4 OC1=NC(S)=NC=C1 SBB007592 [0,0,0,0,0,1|3,0,0]=4 374 B8R1.4 OC1=NC=CC(Br)=C1 SBB054250 [0,0,0,0,0,1|3,0,0]=4 375 B8R1.4 SC1=CC=CC(Br)=C1 SBB066529 [0,0,0,0,0,1|3,0,0]=4 376 B8R1.4 SC1=NC=CC(N)=N1 SBB005532 [0,0,0,0,0,1|3,0,0]=4 377 B8R1.4 [NH3+]C1=CC=CC([NH3+])=C1 SBB061252 [0,0,0,0,0,1|3,0,0]=4 378 B5R1.1 C1=CNC=N1 SBB040815 [2,0,0,0,0,0|2,0,0]=4 379 B5R1.1 C1=CNN=C1 SBB059844 [2,0,0,0,0,0|2,0,0]=4 380 B5R1.1 C1=COC=N1 SBB061419 [2,0,0,0,0,0|1,0,0]=3 381 B5R1.1 C1=CSN=C1 SBB012883 [2,0,0,0,0,0|1,1,0]=4 382 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,1,1,0,0,0|1,0,1]=4 383 B7R0.7 C=C=CC(=O)OCC SBB054147 [0,1,1,0,0,0|1,0,1]=4 384 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,1,1,0,0,0|1,0,1]=4 385 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,1,1,0,0,0|1,0,1]=4 386 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,1,1,0,0,0|1,0,0]=3 387 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,1,1,0,0,0|1,0,1]=4 388 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,1,1,0,0,0|1,0,1]=4 389 B7R0.6 NC(=O)\C=C/C(=O)O SBB007773 [0,1,1,0,0,0|2,0,0]=4 390 B7R0.6 O=C(O)\C=C/C(=O)O SBB040567 [0,1,1,0,0,0|2,0,0]=4 391 B7R0.6 O=C(O)\C=C\C(=O)O SBB008547 [0,1,1,0,0,0|2,0,0]=4 392 B7R1.1 BrCC1=CSC=C1 SBB070721 [1,1,0,0,0,0|2,0,0]=4 393 B7R1.1 BrCC1=CSC=N1 SBB054932 [1,1,0,0,0,0|2,0,0]=4 394 B7R1.1 C#CC1=CC=CS1 SBB008821 [1,1,0,0,0,0|0,1,1]=4 395 B7R1.1 CCN1C=CC=N1 SBB020346 [1,1,0,0,0,0|2,0,0]=4 396 B7R1.1 CSC1=CC=CS1 SBB085766 [1,1,0,0,0,0|0,1,0]=3 397 B7R1.1 CSC1=CSC=C1 SBB055747 [1,1,0,0,0,0|2,0,0]=4 398 B7R1.1 ClCC1=CC=NO1 SBB013787 [1,1,0,0,0,0|1,0,0]=3 399 B7R1.1 ClCC1=CSC=N1 SBB054935 [1,1,0,0,0,0|2,0,0]=4 400 B7R1.1 ClCC1=NOC=C1 SBB013648 [1,1,0,0,0,0|2,0,0]=4 401 B7R1.1 N#CC1=CC=CN1 SBB067109 [1,1,0,0,0,0|1,0,1]=4 402 B7R1.1 N#CC1=CC=CO1 SBB055776 [1,1,0,0,0,0|0,0,1]=3 403 B7R1.1 N#CC1=CC=CS1 SBB055745 [1,1,0,0,0,0|0,1,1]=4 404 B7R1.1 NCC1=CC=CO1 SBB004376 [1,1,0,0,0,0|0,0,0]=2 405 B7R1.1 NCC1=CC=CS1 SBB004315 [1,1,0,0,0,0|0,1,0]=3 406 B7R1.1 NCC1=CN=CS1 SBB047473 [1,1,0,0,0,0|1,1,0]=4 407 B7R1.1 NCC1=CSC=C1 SBB079179 [1,1,0,0,0,0|2,0,0]=4 408 B7R1.1 NCC1=CSC=N1 SBB047472 [1,1,0,0,0,0|2,0,0]=4 409 B7R1.1 NCC1=NC=CN1 SBB013485 [1,1,0,0,0,0|2,0,0]=4 410 B7R1.1 NCC1=NC=CN1 SBB052487 [1,1,0,0,0,0|2,0,0]=4 411 B7R1.1 NCC1=NC=CS1 SBB052479 [1,1,0,0,0,0|1,1,0]=4 412 B7R1.1 NCC1=NNC=C1 SBB020888 [1,1,0,0,0,0|2,0,0]=4 413 B7R1.1 O=CC1=CC=CN1 SBB004389 [1,1,0,0,0,0|1,0,1]=4 414 B7R1.1 O=CC1=CC=CN1 SBB004390 [1,1,0,0,0,0|1,0,1]=4 415 B7R1.1 O=CC1=CC=CO1 SBB004386 [1,1,0,0,0,0|0,0,1]=3 416 B7R1.1 O=CC1=CC=CS1 SBB004321 [1,1,0,0,0,0|0,1,1]=4 417 B7R1.1 O=CC1=NC=CO1 SBB052295 [1,1,0,0,0,0|1,0,1]=4 418 B7R1.1 OCC1=CC=CO1 SBB004373 [1,1,0,0,0,0|0,0,0]=2 419 B7R1.1 OCC1=CC=CS1 SBB058563 [1,1,0,0,0,0|0,1,0]=3 420 B7R1.1 OCC1=CC=NN1 SBB014141 [1,1,0,0,0,0|2,0,0]=4 421 B7R1.1 OCC1=CN=CS1 SBB066375 [1,1,0,0,0,0|1,1,0]=4 422 B7R1.1 OCC1=CNC=N1 SBB004207 [1,1,0,0,0,0|2,0,0]=4 423 B7R1.1 OCC1=CNC=N1 SBB054821 [1,1,0,0,0,0|2,0,0]=4 424 B7R1.1 OCC1=CSC=C1 SBB004309 [1,1,0,0,0,0|2,0,0]=4 425 B7R1.1 OCC1=CSC=N1 SBB066562 [1,1,0,0,0,0|2,0,0]=4 426 B7R1.1 OCC1=NC=CN1 SBB054820 [1,1,0,0,0,0|2,0,0]=4 427 B7R1.1 OCC1=NC=CS1 SBB054805 [1,1,0,0,0,0|1,1,0]=4 428 B7R1.1 SCC1=CC=CO1 SBB004308 [1,1,0,0,0,0|0,0,0]=2 429 B7R1.4 BrC1=C(Br)SC=C1 SBB059557 [1,1,0,0,0,0|1,1,0]=4 430 B7R1.4 CC1=C(Br)SC=C1 SBB089226 [1,1,0,0,0,0|1,1,0]=4 431 B7R1.4 CC1=CC=NN1C SBB020344 [1,1,0,0,0,0|2,0,0]=4 432 B7R1.4 CC1=NC=CN1C SBB040829 [1,1,0,0,0,0|2,0,0]=4 433 B7R1.4 CC1=NNC=C1Br SBB003957 [1,1,0,0,0,0|2,0,0]=4 434 B7R1.4 CC1=NNC=C1Cl SBB022182 [1,1,0,0,0,0|2,0,0]=4 435 B7R1.4 CC1=NNC=C1I SBB073954 [1,1,0,0,0,0|2,0,0]=4 436 B7R1.4 CC1=NNC=C1N SBB009508 [1,1,0,0,0,0|2,0,0]=4 437 B7R1.4 CN1N=CC=C1Br SBB116410 [1,1,0,0,0,0|2,0,0]=4 438 B7R1.4 CN1N=CC=C1I SBB093950 [1,1,0,0,0,0|2,0,0]=4 439 B7R1.4 CN1N=CC=C1N SBB023971 [1,1,0,0,0,0|2,0,0]=4 440 B7R1.4 ClC1=C(Br)C=CS1 SBB092197 [1,1,0,0,0,0|1,1,0]=4 441 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.1 CC1=CC=C(C#N)C=C1 SBB055483 [0,1,0,0,0,1|1,0,1]=4 444 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [0,1,0,0,0,1|1,0,0]=3 445 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [0,1,0,0,0,1|1,0,0]=3 446 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [0,1,0,0,0,1|1,0,0]=3 447 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [0,1,0,0,0,1|1,0,0]=3 448 B9R1.1 CC1=CC=C(NN)N=N1 SBB055937 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.1 CC1=CN=C(C#N)C=C1 SBB055740 [0,1,0,0,0,1|1,0,1]=4 450 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [0,1,0,0,0,1|1,0,1]=4 451 B9R1.1 CC1=CN=C(CN)C=N1 SBB052489 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.1 CC1=NC=C(C#N)C=C1 SBB065528 [0,1,0,0,0,1|1,0,1]=4 453 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [0,1,0,0,0,1|1,0,1]=4 454 B9R1.1 CC1=NC=C(CO)C=N1 SBB054825 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,1,0,0,0,1|1,0,0]=3 458 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.1 CNC1=NN=C(Cl)C=C1 SBB010299 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.1 COC1=CC=C(Br)C=N1 SBB059393 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [0,1,0,0,0,1|1,0,0]=3 466 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.1 COC1=CC=C(I)N=N1 SBB054551 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.1 COC1=NC=C(F)C=C1 SBB085672 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.1 COC1=NC=C(N)C=C1 SBB016584 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.1 COC1=NN=C(Cl)C=C1 SBB004124 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.1 ClCC1=CN=C(Cl)C=C1 SBB003948 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.1 NC1=CC=C(CO)C=N1 SBB085554 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.1 NCC1=CC=C(Cl)N=C1 SBB049618 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.1 NCC1=CC=C(N)N=C1 SBB052464 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.1 OCC1=CC=C(F)N=C1 SBB065619 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.1 OCC1=CN=C(Cl)C=C1 SBB054780 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.1 OCC1=NC=C(Br)C=C1 SBB065294 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.1 OCC1=NC=C(Cl)C=C1 SBB086303 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.1 [NH3+]NC1=CC=C(C)C=C1 SBB058586 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.69 CC1=C(Br)C=C(F)C=C1 SBB090882 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.69 CC1=C(Br)C=C(N)C=C1 SBB001737 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.69 CC1=C(C)C=C(F)C=C1 SBB085562 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.69 CC1=C(C)C=C(N)C=C1 SBB040496 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.69 CC1=C(Cl)C=C(F)C=C1 SBB086382 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.69 CC1=C(F)C=C(Br)C=C1 SBB090880 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.69 CC1=C(F)C=C(Cl)C=C1 SBB086380 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.69 CC1=C(F)C=C(F)C=C1 SBB085715 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.69 CC1=C(F)C=C(I)C=C1 SBB098502 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.69 CC1=C(I)C=C(F)C=C1 SBB098508 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.69 CC1=C(N)C=C(Cl)C=C1 SBB028133 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.69 CC1=C(N)C=C(N)C=C1 SBB007556 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.69 CC1=C(O)C=C(F)C=C1 SBB085644 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.69 CC1=CC(Br)=C(F)C=C1 SBB090881 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.69 CC1=CC(C)=C(C)C=C1 SBB060396 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.69 CC1=CC(C)=C(F)C=C1 SBB085564 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.69 CC1=CC(C)=C(N)C=N1 SBB051865 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.69 CC1=CC(C)=C(O)C=C1 SBB060657 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 SBB061466 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.69 CC1=CC(Cl)=C(F)C=C1 SBB086372 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.69 CC1=CC(F)=C(Br)C=C1 SBB090876 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.69 CC1=CC(F)=C(C)C=C1 SBB085563 [0,1,0,0,0,1|1,0,0]=3 526 B9R1.69 CC1=CC(F)=C(Cl)C=C1 SBB086381 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.69 CC1=CC(F)=C(F)C=C1 SBB085714 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.69 CC1=CC(F)=C(I)C=C1 SBB098504 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.69 CC1=CC(F)=C(O)C=C1 SBB085649 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.69 CC1=CC(N)=C(N)C=C1 SBB007557 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.69 CC1=CC(O)=C(C)C=C1 SBB060426 [0,1,0,0,0,1|1,0,0]=3 532 B9R1.69 CC1=CC(O)=C(F)C=C1 SBB085653 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.69 CC1=CC(O)=C(O)C=C1 SBB061372 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.69 CC1=CC=C(Br)C(N)=N1 SBB005516 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.69 CC1=CC=C(Br)C=C1Cl SBB055298 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.69 CC1=CC=C(C)C(N)=C1 SBB040497 [0,1,0,0,0,1|1,0,0]=3 537 B9R1.69 CC1=CC=C(Cl)C(N)=C1 SBB069932 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.69 CC1=CC=C(Cl)C=C1Cl SBB061465 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.69 CC1=CC=C(F)C(N)=C1 SBB028213 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.69 CC1=CC=C(F)C=C1N SBB004266 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.69 CC1=CC=C(I)C=C1N SBB007547 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.69 CC1=CC=C(N)C(Br)=C1 SBB040485 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.69 CC1=CC=C(N)C(C)=C1 SBB040487 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.69 CC1=CC=C(N)C=C1F SBB028219 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.69 CC1=CC=C(O)C(Br)=C1 SBB079996 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.69 CC1=CC=C(O)C(N)=C1 SBB051703 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.69 CC1=CC=C(O)C=C1C SBB060427 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.69 CC1=CC=C(O)C=C1F SBB085647 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 SBB054317 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.69 CC1=CN=C(F)C(Br)=C1 SBB091032 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.69 CC1=CN=C(F)C(I)=C1 SBB054399 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.69 CC1=CN=C(N)C(Br)=C1 SBB000261 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.69 CC1=CN=C(N)C(Cl)=C1 SBB069949 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.69 CC1=CN=C(O)C(Br)=C1 SBB003679 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.69 CC1=CN=C(O)C(N)=C1 SBB051872 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.69 CC1=NC(C)=C(C)C=C1 SBB061698 [0,1,0,0,0,1|1,0,0]=3 557 B9R1.69 CC1=NC(C)=C(N)C=C1 SBB013931 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.69 CC1=NC(C)=C(O)C=C1 SBB013900 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.69 CC1=NC(Cl)=C(N)C=C1 SBB004142 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.69 CC1=NC=C(Br)C=C1N SBB051825 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.69 CC1=NNC(=O)C(N)=C1 SBB079752 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.69 NC1=CC(Cl)=C(C)C=C1 SBB004152 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.69 NC1=CC=C(C)C=C1F SBB006650 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.69 [NH3+]C1=C(C)C=C(C)N=C1 SBB055666 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.2 C(=O)C1=CC=CC(C)=N1 SBB004287 [0,1,0,0,0,1|1,0,1]=4 566 B9R1.2 CC1=CC(C#N)=NC=C1 SBB055617 [0,1,0,0,0,1|1,0,1]=4 567 B9R1.2 CC1=CC(C=O)=NC=C1 SBB052226 [0,1,0,0,0,1|1,0,1]=4 568 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [0,1,0,0,0,1|1,0,0]=3 569 B9R1.2 CC1=CC=CC(C#N)=C1 SBB059209 [0,1,0,0,0,1|1,0,1]=4 570 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [0,1,0,0,0,1|1,0,0]=3 571 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [0,1,0,0,0,1|1,0,0]=3 572 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [0,1,0,0,0,1|1,0,0]=3 573 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [0,1,0,0,0,1|1,0,0]=3 574 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [0,1,0,0,0,1|1,0,0]=3 575 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [0,1,0,0,0,1|1,0,0]=3 576 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [0,1,0,0,0,1|1,0,0]=3 577 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [0,1,0,0,0,1|1,0,0]=3 578 B9R1.2 CC1=CN=CC(C#N)=C1 SBB065284 [0,1,0,0,0,1|1,0,1]=4 579 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [0,1,0,0,0,1|1,0,0]=3 580 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [0,1,0,0,0,1|1,0,0]=3 581 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.2 CNC1=CC(Cl)=CC=C1 SBB086218 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.2 CNC1=CC=NC(Cl)=N1 SBB051952 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.2 CNC1=NC=CC(N)=N1 SBB085558 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.2 COC1=CC(Br)=CC=C1 SBB007886 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.2 COC1=CC(F)=CC=C1 SBB085642 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.2 COC1=CC(N)=NC=C1 SBB051898 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.2 COC1=CC(O)=CC=C1 SBB060932 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.2 COC1=CC=CC(Br)=N1 SBB054383 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [0,1,0,0,0,1|1,0,0]=3 594 B9R1.2 COC1=CC=CC(F)=N1 SBB085671 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.2 COC1=CC=CC(I)=C1 SBB059058 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.2 COC1=CC=CC(N)=C1 SBB040499 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.2 COC1=CC=CC(N)=N1 SBB051862 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.2 COC1=CC=NC(Cl)=N1 SBB054496 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.2 COC1=CN=CC(Br)=C1 SBB054402 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.2 COC1=NC(N)=NC=C1 SBB051950 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.2 COC1=NC=CC(Br)=C1 SBB054328 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.2 COC1=NC=CC(N)=C1 SBB051798 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.2 CSC1=NC(C)=CC=N1 SBB086177 [0,1,0,0,0,1|1,0,0]=3 604 B9R1.2 CSC1=NC=CC(=O)N1 SBB062854 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.2 CSC1=NC=CC(Cl)=N1 SBB054478 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.2 CSC1=NC=CC(N)=N1 SBB051949 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.2 ClCC1=CC(Br)=CN=C1 SBB054923 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.2 ClCC1=CC(Cl)=CC=C1 SBB040671 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.2 FC1=CC(CBr)=CC=C1 SBB090883 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.2 FC1=CC=CC(CCl)=C1 SBB040605 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.2 NC1=CC=CC(CO)=C1 SBB037932 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.2 NC1=NC=CC(CO)=C1 SBB046494 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.2 NCC1=CC(Br)=CN=C1 SBB090527 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.2 NCC1=CC(Cl)=CC=C1 SBB004155 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.2 NCC1=CC(Cl)=NC=C1 SBB052439 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.2 NCC1=CC=CC(Br)=C1 SBB005796 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.2 NCC1=CC=CC(F)=C1 SBB028218 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.2 OCC1=CC(Br)=CN=C1 SBB065467 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.2 OCC1=CC(Br)=NC=C1 SBB054782 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.2 OCC1=CC(Cl)=CC=N1 SBB065656 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.2 OCC1=CC(Cl)=NC=C1 SBB054800 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.2 OCC1=CC(F)=CC=C1 SBB064188 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.2 OCC1=CC(I)=CC=C1 SBB068728 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.2 OCC1=CC(S)=CC=C1 SBB054760 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.2 OCC1=CC=CC(Br)=C1 SBB063014 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.2 OCC1=CC=CC(Cl)=C1 SBB064716 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.2 OCC1=CC=CC(O)=C1 SBB068731 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.2 OCC1=NC(Cl)=CC=C1 SBB054794 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.2 [NH3+]CC1=CC(I)=CC=C1 SBB058984 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.3 CC1=C(Br)C(F)=CC=C1 SBB090874 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.3 CC1=C(Br)C(O)=CC=C1 SBB054201 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.3 CC1=C(F)C(Br)=CC=C1 SBB090878 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.3 CC1=C(F)C(F)=CC=C1 SBB085713 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.3 CC1=C(F)C(N)=CC=C1 SBB069825 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.3 CC1=C(F)C(O)=CC=C1 SBB085646 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.3 CC1=C(N)C(Br)=NC=C1 SBB051805 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.3 CC1=C(N)C(Cl)=CC=C1 SBB004153 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.3 CC1=C(N)C(Cl)=NC=C1 SBB010194 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.3 CC1=C(N)C(F)=CC=C1 SBB069823 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.3 CC1=C(N)C(N)=CC=C1 SBB051691 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.3 CC1=C(O)C(=O)C=CO1 SBB055954 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.3 CC1=C(O)C(O)=CC=C1 SBB055151 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.3 CC1=CC=CC(C)=C1C SBB061131 [0,1,0,0,0,1|1,0,0]=3 644 B9R1.3 CC1=CC=CC(C)=C1F SBB085567 [0,1,0,0,0,1|1,0,0]=3 645 B9R1.3 CC1=CC=CC(C)=C1I SBB097862 [0,1,0,0,0,1|1,0,0]=3 646 B9R1.3 CC1=CC=CC(C)=C1N SBB008136 [0,1,0,0,0,1|1,0,0]=3 647 B9R1.3 CC1=CC=CC(C)=C1O SBB060658 [0,1,0,0,0,1|1,0,0]=3 648 B9R1.3 CC1=CC=CC(Cl)=C1Cl SBB061475 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.3 CC1=CC=CC(Cl)=C1F SBB086373 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.3 CC1=CC=CC(Cl)=C1I SBB101149 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.3 CC1=CC=CC(F)=C1C SBB085561 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.3 CC1=CC=CC(N)=C1C SBB040449 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.3 CC1=CC=CC(O)=C1C SBB060656 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.3 CC1=CC=CC(O)=C1N SBB069796 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.3 CC1=CN=CC(C)=C1N SBB069790 [0,1,0,0,0,1|1,0,0]=3 656 B9R1.3 CC1=NC=CC(C)=C1N SBB051855 [0,1,0,0,0,1|1,0,0]=3 657 B9R1.3 CC1=NC=CC(C)=C1O SBB055655 [0,1,0,0,0,1|1,0,0]=3 658 B9R1.34 CC1=CC(=O)C=C(C)O1 SBB056217 [0,1,0,0,0,1|0,0,0]=2 659 B9R1.34 CC1=CC(=O)N=C(N)N1 SBB004269 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.34 CC1=CC(=O)NC(=O)N1 SBB004254 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.34 CC1=CC(=O)OC(C)=C1 SBB059425 [0,1,0,0,0,1|1,0,0]=3 662 B9R1.34 CC1=CC(Br)=CC(C)=N1 SBB090349 [0,1,0,0,0,1|1,0,0]=3 663 B9R1.34 CC1=CC(Br)=CC(F)=C1 SBB090879 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.34 CC1=CC(C)=CC(C)=C1 SBB060395 [0,1,0,0,0,1|1,0,0]=3 665 B9R1.34 CC1=CC(C)=CC(F)=C1 SBB085566 [0,1,0,0,0,1|1,0,0]=3 666 B9R1.34 CC1=CC(C)=CC(N)=C1 SBB040456 [0,1,0,0,0,1|1,0,0]=3 667 B9R1.34 CC1=CC(C)=CC(O)=C1 SBB060659 [0,1,0,0,0,1|1,0,0]=3 668 B9R1.34 CC1=CC(C)=CC(S)=C1 SBB086033 [0,1,0,0,0,1|1,0,0]=3 669 B9R1.34 CC1=CC(C)=NC(=O)N1 SBB003958 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.34 CC1=CC(C)=NC(C)=C1 SBB060376 [0,1,0,0,0,1|1,0,0]=3 671 B9R1.34 CC1=CC(C)=NC(Cl)=N1 SBB039495 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.34 CC1=CC(C)=NC(S)=N1 SBB007591 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.34 CC1=CC(C)=NC(S)=N1 SBB007606 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.34 CC1=CC(Cl)=CC(F)=C1 SBB086374 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.34 CC1=CC(Cl)=NC(C)=N1 SBB010291 [0,1,0,0,0,1|1,0,0]=3 676 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 SBB087557 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.34 CC1=CC(F)=CC(F)=C1 SBB085712 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.34 CC1=CC(F)=CC(N)=C1 SBB069824 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.34 CC1=CC(F)=CC(O)=C1 SBB085643 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.34 CC1=CC(N)=NC(C)=C1 SBB051876 [0,1,0,0,0,1|1,0,0]=3 681 B9R1.34 CC1=CC(N)=NC(Cl)=N1 SBB086308 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.34 CC1=CC(N)=NC(S)=N1 SBB086210 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.34 CC1=CC(O)=CC(=O)O1 SBB001910 [0,1,0,0,0,1|1,0,0]=3 684 B9R1.34 CC1=CC(O)=CC(O)=C1 SBB006928 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.34 CC1=CC(O)=NC(N)=N1 SBB028210 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [0,1,0,0,0,1|1,0,1]=4 687 B9R1.34 CC1=NC(C)=NC(N)=C1 SBB028208 [0,1,0,0,0,1|1,0,0]=3 688 B9R1.34 CC1=NC(C)=NC(O)=C1 SBB072394 [0,1,0,0,0,1|1,0,0]=3 689 B9R1.34 CC1=NC(Cl)=CC(Cl)=C1 SBB087555 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.34 CC1=NC(Cl)=CC(Cl)=N1 SBB054487 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.34 CC1=NC(Cl)=CC(O)=N1 SBB086367 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.34 CC1=NC(Cl)=NC(Cl)=C1 SBB042044 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.34 CC1=NC(N)=CC(Cl)=N1 SBB086307 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.34 CC1=NC(N)=CC(N)=N1 SBB085557 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.34 CC1=NC(N)=NC(Cl)=C1 SBB004134 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.34 CC1=NC(O)=CC(N)=N1 SBB039513 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.34 CC1=NC(O)=CC(O)=N1 SBB081940 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.34 CC1=NC(S)=NC(S)=C1 SBB081947 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.34 NC1=NC(C)=CC(C)=N1 SBB004275 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.34 OC1=CC(C)=NC(O)=N1 SBB004256 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.34 OC1=CC(C)=NC(S)=N1 SBB004144 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.34 OC1=NC(C)=CC(C)=N1 SBB004271 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [0,2,0,0,0,0|0,1,0]=3 704 B9R1.7 CC1=CC=C(\C=N\O)O1 SBB085593 [0,2,0,0,0,0|0,0,1]=3 705 B9R1.7 CC1=CC=C(\C=N\O)S1 SBB086199 [0,2,0,0,0,0|0,1,1]=4 706 B9R1.7 CC1=CN=C(CCN)S1 SBB027447 [0,2,0,0,0,0|1,1,0]=4 707 B9R1.7 CC1=CSC(CC#N)=N1 SBB022616 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.7 CC1=CSC(CCN)=N1 SBB044025 [0,2,0,0,0,0|2,0,0]=4 709 B9R1.7 CC1=NN(CC#N)C=C1 SBB021938 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.7 CC1=NN(CCBr)C=C1 SBB014949 [0,2,0,0,0,0|2,0,0]=4 711 B9R1.7 CC1=NN(CCN)C=C1 SBB009659 [0,2,0,0,0,0|2,0,0]=4 712 B9R1.7 CC1=NN(CCO)C=C1 SBB033467 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.7 CCCN1C=CC(C)=N1 SBB024160 [0,2,0,0,0,0|2,0,0]=4 714 B9R1.7 CN1C=CC(CC#N)=N1 SBB073641 [0,2,0,0,0,0|2,0,0]=4 715 B9R1.7 CN1C=CC(CCN)=N1 SBB073919 [0,2,0,0,0,0|2,0,0]=4 716 B9R1.7 CNCC1=CC=C(C)O1 SBB085300 [0,2,0,0,0,0|0,0,0]=2 717 B9R1.7 CNCC1=CC=C(C)S1 SBB052471 [0,2,0,0,0,0|0,1,0]=3 718 B9R1.7 CNCC1=CSC(C)=N1 SBB086256 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.7 CNCC1=NN(C)C=C1 SBB020588 [0,2,0,0,0,0|2,0,0]=4 720 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004259 [0,2,0,0,0,0|0,0,1]=3 721 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004260 [0,2,0,0,0,0|0,0,1]=3 722 B9R1.21 CCC1=CC=C(C=O)O1 SBB010056 [0,2,0,0,0,0|0,0,1]=3 723 B9R1.21 CCC1=CC=C(C=O)S1 SBB028644 [0,2,0,0,0,0|0,1,1]=4 724 B9R1.21 CCC1=NN=C(CCl)O1 SBB018931 [0,2,0,0,0,0|2,0,0]=4 725 B9R1.21 CCN1C=CC(CCl)=N1 SBB025730 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.21 CCN1C=CC(CN)=N1 SBB020586 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.21 CCN1C=CC(CO)=N1 SBB025856 [0,2,0,0,0,0|2,0,0]=4 728 B9R1.21 CSC1=CC=C(C=O)S1 SBB087319 [0,2,0,0,0,0|0,1,1]=4 729 B9R1.22 C#CC1=CN(C)N=C1C SBB116318 [0,2,0,0,0,0|2,0,0]=4 730 B9R1.22 CC1=CC(C#N)=C(N)S1 SBB000075 [0,2,0,0,0,0|1,1,0]=4 731 B9R1.22 CC1=CC(C)=C(C=O)N1 SBB066755 [0,2,0,0,0,0|1,0,1]=4 732 B9R1.22 CC1=CC(C)=NN1CO SBB004250 [0,2,0,0,0,0|2,0,0]=4 733 B9R1.22 CC1=CC(C=O)=C(C)S1 SBB009464 [0,2,0,0,0,0|0,1,0]=3 734 B9R1.22 CC1=NC(C)=C(C=O)S1 SBB086201 [0,2,0,0,0,0|2,0,0]=4 735 B9R1.22 CC1=NC(C)=C(CO)S1 SBB054806 [0,2,0,0,0,0|1,1,0]=4 736 B9R1.22 CC1=NC(CO)=C(C)O1 SBB085678 [0,2,0,0,0,0|1,0,0]=3 737 B9R1.22 CC1=NN(C)C(C#N)=C1 SBB021949 [0,2,0,0,0,0|2,0,0]=4 738 B9R1.22 CC1=NN(C)C(C=O)=C1 SBB017345 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.22 CC1=NN(C)C(CCl)=C1 SBB025118 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.22 CC1=NN(C)C(CN)=C1 SBB004264 [0,2,0,0,0,0|2,0,0]=4 741 B9R1.22 CC1=NN(C)C(CO)=C1 SBB024986 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.22 CC1=NN(C)C=C1C#N SBB021948 [0,2,0,0,0,0|2,0,0]=4 743 B9R1.22 CC1=NN(C)C=C1C=O SBB000017 [0,2,0,0,0,0|2,0,0]=4 744 B9R1.22 CC1=NN(C)C=C1CN SBB004263 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.22 CC1=NN(C)C=C1CO SBB019670 [0,2,0,0,0,0|2,0,0]=4 746 B9R1.22 CCN1C=C(C)C=C1N SBB059485 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.22 CCN1N=C(C)C=C1C SBB024588 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.22 CCN1N=C(C)C=C1N SBB022583 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.22 CN1C=C(Br)C(CCl)=N1 SBB094235 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.22 CN1C=C(Br)C(CN)=N1 SBB021952 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.22 CN1C=C(Br)C(CO)=N1 SBB073833 [0,2,0,0,0,0|2,0,0]=4 752 B9R1.22 CN1C=C(Cl)C(CCl)=N1 SBB116445 [0,2,0,0,0,0|2,0,0]=4 753 B9R1.22 CN1C=C(Cl)C(CO)=N1 SBB073832 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.23 C(=O)C1=CC(C)=C(C)S1 SBB005570 [0,2,0,0,0,0|0,1,1]=4 755 B9R1.23 CC1=C(Br)C=C(C=O)S1 SBB019870 [0,2,0,0,0,0|0,1,1]=4 756 B9R1.23 CC1=CC(CN)=NN1C SBB020887 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.23 CC1=CC(CO)=NN1C SBB054817 [0,2,0,0,0,0|2,0,0]=4 758 B9R1.23 CCN1C=C(Br)C(C)=N1 SBB020342 [0,2,0,0,0,0|2,0,0]=4 759 B9R1.23 CCN1C=C(Cl)C(C)=N1 SBB046652 [0,2,0,0,0,0|2,0,0]=4 760 B9R1.23 CCN1C=C(I)C(C)=N1 SBB051459 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.23 CCN1C=C(N)C(C)=N1 SBB009354 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.23 O=CC1=CC(Br)=C(Br)O1 SBB052273 [0,2,0,0,0,0|1,0,1]=4 763 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,2,0,0,0,0|2,0,0]=4 764 B9R1.35 CC(=O)C1=CC=C(Br)S1 SBB058398 [0,2,0,0,0,0|1,1,0]=4 765 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,2,0,0,0,0|0,0,0]=2 766 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,2,0,0,0,0|0,1,0]=3 767 B9R1.35 CC(=O)C1=CC=C(Cl)S1 SBB066389 [0,2,0,0,0,0|1,1,0]=4 768 B9R1.35 CC(=O)C1=CC=C(F)S1 SBB073293 [0,2,0,0,0,0|1,1,0]=4 769 B9R1.35 CC(=O)C1=CC=C(I)S1 SBB101059 [0,2,0,0,0,0|1,1,0]=4 770 B9R1.35 CC(=O)C1=CN=C(N)O1 SBB072544 [0,2,0,0,0,0|2,0,0]=4 771 B9R1.35 CC(=O)C1=CSC(C)=N1 SBB109134 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.35 CC(=O)C1=NN(C)C=C1 SBB021677 [0,2,0,0,0,0|2,0,0]=4 773 B9R1.35 CC(N)C1=NN(C)C=C1 SBB009481 [0,2,0,0,0,0|2,0,0]=4 774 B9R1.35 CC(O)C1=CC=C(F)S1 SBB073298 [0,2,0,0,0,0|1,1,0]=4 775 B9R1.35 CC1=CC=C(B(O)O)O1 SBB004261 [0,2,0,0,0,0|1,0,0]=3 776 B9R1.35 CC1=CC=C(B(O)O)S1 SBB004150 [0,2,0,0,0,0|1,1,0]=4 777 B9R1.35 CC1=CC=C(C(=O)Cl)O1 SBB017922 [0,2,0,0,0,0|0,0,1]=3 778 B9R1.35 CC1=CC=C(C(=O)Cl)S1 SBB087488 [0,2,0,0,0,0|0,1,1]=4 779 B9R1.35 CC1=CC=C(C(=O)O)O1 SBB005609 [0,2,0,0,0,0|0,0,1]=3 780 B9R1.35 CC1=CC=C(C(C)N)O1 SBB010239 [0,2,0,0,0,0|0,0,0]=2 781 B9R1.35 CC1=NN(C(C)C)C=C1 SBB024815 [0,2,0,0,0,0|2,0,0]=4 782 B9R1.35 CC1=NN(C(F)F)C=C1 SBB000019 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.35 NC(=O)C1=CC=C(Br)O1 SBB050272 [0,2,0,0,0,0|1,0,1]=4 784 B9R1.35 O=C(O)C1=CC=C(Br)O1 SBB003644 [0,2,0,0,0,0|1,0,1]=4 785 B9R1.35 O=C(O)C1=CC=C(I)O1 SBB039298 [0,2,0,0,0,0|1,0,1]=4 786 B9R1.35 OC(=O)C1=CC=C(C)S1 SBB004146 [0,2,0,0,0,0|0,1,1]=4 787 B9R1.132 CC1=C(C)C(CO)=CS1 SBB017430 [0,2,0,0,0,0|2,0,0]=4 788 B9R1.132 CC1=CC=C(CN)N1C SBB012870 [0,2,0,0,0,0|1,0,0]=3 789 B9R1.37 CC1=C(O)C(=O)C(C)O1 SBB058632 [0,2,0,0,0,0|0,0,1]=3 790 B9R1.37 CC1=NN(C)C(C)=C1Br SBB047367 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.37 CC1=NN(C)C(C)=C1I SBB051462 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.37 CC1=NN(C)C(C)=C1N SBB006986 [0,2,0,0,0,0|2,0,0]=4 793 B9R1.37 CC1=NN(C)C(F)=C1Br SBB116431 [0,2,0,0,0,0|2,0,0]=4 794 B9R1.37 CC1=NN(C)C(F)=C1I SBB116430 [0,2,0,0,0,0|2,0,0]=4 795 B9R1.37 CC1=NN(C)C(N)=C1Br SBB033569 [0,2,0,0,0,0|2,0,0]=4 796 B9R1.37 CC1=NN(C)C(N)=C1Cl SBB033562 [0,2,0,0,0,0|2,0,0]=4 797 B9R1.37 O=C1OC(=O)C(Cl)=C1Cl SBB050393 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.27 N1C=C(C)C(CC)=C1C SBB004274 [0,2,0,0,0,0|2,0,0]=4