0 B7R1.2 CC1=CC(Br)=CS1 M10206144P [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 CC1=CC=C(Br)O1 M10718133P [0,0,0,0,0,0|2,0,0]=2 2 B7R1.2 CC1=CC=C(Cl)S1 M10148223P [0,0,0,0,0,0|2,0,0]=2 3 B7R1.2 CC1=CN(C)N=C1 M10026171P [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 CC1=COC(Br)=N1 M11097892P [0,0,0,0,0,0|2,0,1]=3 5 B7R1.2 CC1=CSC(C)=C1 M10017342P [0,0,0,0,0,0|2,0,0]=2 6 B7R1.2 CC1=CSC(Cl)=N1 M10195545P [0,0,0,0,0,0|2,0,1]=3 7 B7R1.2 CC1=NN(C)C=C1 M10018607P [0,0,0,0,0,0|1,0,1]=2 8 B7R1.2 CC1=NN=C(Br)S1 M10274347P [0,0,0,0,0,0|4,0,0]=4 9 B7R1.2 CC1=NN=C(C)N1 M10104063P [0,0,0,0,0,0|2,0,0]=2 10 B7R1.2 CN1C=C(Br)N=C1 M10190735P [0,0,0,0,0,0|4,0,0]=4 11 B7R1.2 CN1N=C(Br)C=C1 M10776437P [0,0,0,0,0,0|2,0,1]=3 12 B7R1.2 CN1N=C(Cl)C=C1 M10392492P [0,0,0,0,0,0|2,0,1]=3 13 B7R1.2 C[N+]1=CN(C)C=C1 M10477361P [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 ClC1=CN=C(Br)S1 M10144006P [0,0,0,0,0,0|4,0,0]=4 15 B7R1.2 IC1=CC=C(Br)S1 M10206408P [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 NC1=CC(C)=NS1 M10184328P [0,0,0,0,0,0|4,0,0]=4 17 B7R1.2 NC1=CC=C(C)S1 M10282879P [0,0,0,0,0,0|2,0,0]=2 18 B7R1.2 NC1=CSC(Br)=N1 M10246711P [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 NC1=NC(C)=CO1 M10228028P [0,0,0,0,0,0|2,0,1]=3 20 B7R1.2 NC1=NC(N)=CS1 M10424794P [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 NC1=NC=C(C)O1 M10219349P [0,0,0,0,0,0|3,0,0]=3 22 B7R1.2 NC1=NN(C)C=N1 M10252599P [0,0,0,0,0,0|3,0,1]=4 23 B7R1.2 O=C1NC(C)=CN1 M10028708P [0,0,0,0,0,0|2,0,0]=2 24 B7R1.2 O=C1NC(CC1)=O M10004579P [0,0,0,0,0,0|2,0,2]=4 25 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,0,0,0,0,0|2,0,1]=3 26 B7R1.2 OC1=CC(C)=NN1 M10735473P [0,0,0,0,0,0|4,0,0]=4 27 B6R1.2 BrC1=CN=CS1 M10050406P [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 BrC1=CNC=N1 M10042301P [1,0,0,0,0,0|2,0,1]=4 29 B6R1.2 BrC1=NC=CN1 M10144381P [1,0,0,0,0,0|2,0,0]=3 30 B6R1.2 BrC1=NC=NN1 M10104062P [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 BrC1=NNC=C1 M10131684P [1,0,0,0,0,0|2,0,1]=4 32 B6R1.2 CC1=CC=CN1 M10017268P [1,0,0,0,0,0|0,0,0]=1 33 B6R1.2 CC1=CC=NN1 M10522458P [1,0,0,0,0,0|1,0,0]=2 34 B6R1.2 CC1=CN=CS1 M10055792P [1,0,0,0,0,0|2,0,0]=3 35 B6R1.2 CC1=CNN=N1 M10199661P [1,0,0,0,0,0|2,0,1]=4 36 B6R1.2 CC1=COC=C1 M10023353P [1,0,0,0,0,0|2,0,0]=3 37 B6R1.2 CC1=NNC=N1 M10102125P [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 CN1N=CN=C1 M10083614P [1,0,0,0,0,0|2,0,1]=4 39 B6R1.2 ClC1=NC=CS1 M10050403P [1,0,0,0,0,0|2,0,1]=4 40 B6R1.2 IC1=CSC=C1 M10115512P [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 IC1=NC=CN1 M10050409P [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 NC1=CC=NO1 M10132694P [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 NC1=COC=N1 M10159955P [1,0,0,0,0,0|2,0,1]=4 44 B6R1.2 NC1=CSC=C1 M10189866P [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 NC1=CSC=C1 M11005288P [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 NC1=NC=CN1 M10110055P [1,0,0,0,0,0|2,0,0]=3 47 B6R1.2 NC1=NC=CS1 M10084286P [1,0,0,0,0,0|2,0,1]=4 48 B6R1.2 NN1N=CC=C1 M10059159P [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 O=C1NNC=N1 M10023357P [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 S=C1SC=CN1 M10079135P [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 SC1=NC=CS1 M10487088P [1,0,0,0,0,0|2,0,1]=4 52 B8R1.1 BrCC1=CN=C(Br)S1 M10733773P [0,1,0,0,0,0|3,0,0]=4 53 B8R1.1 CC1=CC=C(CC)S1 M10242382P [0,1,0,0,0,0|1,0,0]=2 54 B8R1.1 CC1=NC(C=O)=CS1 M10168174P [0,1,0,0,0,0|1,0,2]=4 55 B8R1.1 CC1=NC(CO)=CN1 M10251327P [0,1,0,0,0,0|1,0,1]=3 56 B8R1.1 CC1=NC=C(CC)N1 M10205568P [0,1,0,0,0,0|1,0,0]=2 57 B8R1.1 COC1=CC=C(Br)S1 M10292628P [0,1,0,0,0,0|2,0,0]=3 58 B8R1.1 CSC1=CC=C(C)O1 M10125717P [0,1,0,0,0,0|1,0,0]=2 59 B8R1.1 C[N+]1=CN(CC)C=C1 M10409475P [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 C[N+]1=CN(CC)C=C1 M10761770P [0,1,0,0,0,0|3,0,0]=4 61 B8R1.1 C[N+]1=CN(CC)C=C1 M10761771P [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 C[N+]1=CN(CC)C=C1 M10767700P [0,1,0,0,0,0|3,0,0]=4 63 B8R1.1 C[N+]1=CN(CC)C=C1 M10782580P [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 N#CC1=CC=C(Br)S1 M10040641P [0,1,0,0,0,0|2,0,1]=4 65 B8R1.1 N#CC1=CC=C(I)S1 M10158165P [0,1,0,0,0,0|2,0,1]=4 66 B8R1.1 NC1=NC(CCl)=CS1 M10308466P [0,1,0,0,0,0|2,0,1]=4 67 B8R1.1 NCC1=CN(C)C=N1 M10142044P [0,1,0,0,0,0|3,0,0]=4 68 B8R1.1 NCC1=CN=C(Br)S1 M10733774P [0,1,0,0,0,0|3,0,0]=4 69 B8R1.1 NCC1=CSC(C)=N1 M10651863P [0,1,0,0,0,0|1,0,1]=3 70 B8R1.1 O=C1O[C@H](CO)C=C1 M10471936P [0,1,0,0,0,0|2,0,1]=4 71 B8R1.1 O=CC1=CC=C(Br)N1 M10023412P [0,1,0,0,0,0|1,0,1]=3 72 B8R1.1 O=CC1=COC(C)=N1 M10690619P [0,1,0,0,0,0|1,0,2]=4 73 B8R1.1 OCC1=CC(Br)=CS1 M10476713P [0,1,0,0,0,0|3,0,0]=4 74 B8R1.1 OCC1=CN(C)C=N1 M10148485P [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 OCC1=CN=C(Cl)S1 M10767693P [0,1,0,0,0,0|3,0,0]=4 76 B8R1.18 CC1=NN(C)C(Br)=C1 M10079924P [0,1,0,0,0,0|1,0,1]=3 77 B8R1.18 IC1=C(I)N=C(I)N1 M10035716P [0,1,0,0,0,0|3,0,0]=4 78 B8R1.18 NC1=CC(Br)=NN1C M11139490P [0,1,0,0,0,0|2,0,1]=4 79 B8R1.18 NC1=NC(C)=C(C)S1 M10443572P [0,1,0,0,0,0|2,0,1]=4 80 B8R1.18 O=C1N(C)SC(Cl)=C1 M10285798P [0,1,0,0,0,0|3,0,0]=4 81 B8R1.18 OC1=CC(C)=NN1C M10069623P [0,1,0,0,0,0|1,0,1]=3 82 B8R1.18 SC1=C(C)OC(C)=C1 M10284510P [0,1,0,0,0,0|1,0,0]=2 83 B8R1.50 O=C1C=CC(N1C)=O M10023388P [0,1,0,0,0,0|2,0,0]=3 84 B6R0.1 C=CC(NCC)=O M10081542P [0,0,1,0,0,0|1,0,1]=3 85 B6R0.1 C=CC(OCC)=O M10186126P [0,0,1,0,0,0|2,0,1]=4 86 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,1,0,0,0|3,0,0]=4 87 B6R0.2 CC(NC(N)=N)=O M10079352P [0,0,1,0,0,0|3,0,0]=4 88 B6R0.4 C=C\C=C\C(O)=O M10016890P [0,0,1,0,0,0|2,0,1]=4 89 B6R0.4 CC\C=C\C(O)=O M10016889P [0,0,1,0,0,0|2,0,1]=4 90 B6R0.4 CC\C=C\C([O-])=O M12008293P [0,0,1,0,0,0|2,0,1]=4 91 B8R2.34 C12CC(C=C1)CC2 M10012355P [0,0,0,1,0,0|1,0,2]=4 92 B8R1.3 BrC1=NN=C(N)C=C1 M10538837P [0,0,0,0,0,1|2,0,1]=4 93 B8R1.3 CC1=CN=C(Br)N=C1 M10775116P [0,0,0,0,0,1|2,0,1]=4 94 B8R1.3 CC1=CN=C(C)C=C1 M10195697P [0,0,0,0,0,1|0,0,1]=2 95 B8R1.3 CC1=CN=C(Cl)C=N1 M10306565P [0,0,0,0,0,1|2,0,1]=4 96 B8R1.3 CC1=NC=C(F)C=N1 M10276234P [0,0,0,0,0,1|2,0,1]=4 97 B8R1.3 CC1=NN=C(Br)C=C1 M10410968P [0,0,0,0,0,1|1,0,1]=3 98 B8R1.3 CC1=NN=C(C)C=C1 M10033961P [0,0,0,0,0,1|0,0,1]=2 99 B8R1.3 IC1=CN=C(Cl)C=C1 M10432721P [0,0,0,0,0,1|2,0,1]=4 100 B8R1.3 NC1=CC=C(C)N=C1 M10189774P [0,0,0,0,0,1|1,0,1]=3 101 B8R1.3 NC1=NN=C(C)C=C1 M10156209P [0,0,0,0,0,1|1,0,1]=3 102 B8R1.3 NC1=NN=C(N)C=C1 M10320150P [0,0,0,0,0,1|2,0,1]=4 103 B8R1.3 O=C1C=CC(Cl)=NN1 M10158814P [0,0,0,0,0,1|2,0,0]=3 104 B8R1.3 O=C1C=CC(N)=CN1 M10221098P [0,0,0,0,0,1|2,0,0]=3 105 B8R1.3 O=C1C=CC(O)=CN1 M10069173P [0,0,0,0,0,1|2,0,0]=3 106 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,0,0,1|1,0,2]=4 107 B8R1.3 O=C1N=CC(Cl)=CN1 M10276009P [0,0,0,0,0,1|3,0,0]=4 108 B8R1.3 OC1=CC=C(N)C=C1 M10000173P [0,0,0,0,0,1|3,0,0]=4 109 B8R1.3 OC1=CN=C(Cl)C=C1 M10245453P [0,0,0,0,0,1|2,0,1]=4 110 B8R1.3 OC1=NC=C(C)C=C1 M10606720P [0,0,0,0,0,1|1,0,1]=3 111 B8R1.3 SC1=CC=C(S)C=C1 M10016708P [0,0,0,0,0,1|3,0,0]=4 112 B8R1.4 BrC1=CN=CC(Br)=N1 M10178962P [0,0,0,0,0,1|2,0,1]=4 113 B8R1.4 BrC1=CN=CC(N)=N1 M10275478P [0,0,0,0,0,1|2,0,1]=4 114 B8R1.4 BrC1=NC(Br)=NC=C1 M10058613P [0,0,0,0,0,1|2,0,1]=4 115 B8R1.4 CC1=CC(Br)=NC=N1 M10434771P [0,0,0,0,0,1|3,0,0]=4 116 B8R1.4 CC1=CC(Br)=NN=C1 M10123928P [0,0,0,0,0,1|3,0,0]=4 117 B8R1.4 CC1=CC(Cl)=NC=N1 M10054444P [0,0,0,0,0,1|3,0,0]=4 118 B8R1.4 CC1=CN=CC(Cl)=C1 M10159778P [0,0,0,0,0,1|2,0,0]=3 119 B8R1.4 CC1=NC(Br)=NC=C1 M10731744P [0,0,0,0,0,1|1,0,1]=3 120 B8R1.4 CC1=NC=CC(Br)=C1 M10174321P [0,0,0,0,0,1|2,0,0]=3 121 B8R1.4 FC1=CC(Br)=NC=C1 M10865980P [0,0,0,0,0,1|3,0,0]=4 122 B8R1.4 FC1=CC(F)=NC=C1 M10225527P [0,0,0,0,0,1|3,0,0]=4 123 B8R1.4 FC1=CC=CC(Br)=N1 M10765142P [0,0,0,0,0,1|2,0,1]=4 124 B8R1.4 FC1=CN=CC(Cl)=C1 M10890395P [0,0,0,0,0,1|3,0,0]=4 125 B8R1.4 FC1=CN=CC(F)=C1 M10445108P [0,0,0,0,0,1|3,0,0]=4 126 B8R1.4 FC1=NC(Cl)=NC=C1 M12277849P [0,0,0,0,0,1|2,0,1]=4 127 B8R1.4 IC1=CC(F)=NC=C1 M10174314P [0,0,0,0,0,1|3,0,0]=4 128 B8R1.4 IC1=CC=CC(Br)=N1 M10842938P [0,0,0,0,0,1|2,0,1]=4 129 B8R1.4 IC1=NC=CC(Br)=C1 M10640907P [0,0,0,0,0,1|3,0,0]=4 130 B8R1.4 NC1=CC(Cl)=CN=C1 M10174678P [0,0,0,0,0,1|3,0,0]=4 131 B8R1.4 NC1=CC(N)=CN=C1 M10061971P [0,0,0,0,0,1|3,0,0]=4 132 B8R1.4 NC1=NC(C)=NC=C1 M10000836P [0,0,0,0,0,1|1,0,1]=3 133 B8R1.4 NC1=NC(N)=CC=C1 M10770674P [0,0,0,0,0,1|2,0,1]=4 134 B8R1.4 NC1=NC=CC(I)=N1 M10962603P [0,0,0,0,0,1|2,0,1]=4 135 B8R1.4 NC1=NC=CC(N)=C1 M10011324P [0,0,0,0,0,1|3,0,0]=4 136 B8R1.4 O=C1C=C(F)C=CN1 M10629829P [0,0,0,0,0,1|3,0,0]=4 137 B8R1.4 O=C1C=CC=C(F)N1 M10254544P [0,0,0,0,0,1|2,0,0]=3 138 B8R1.4 O=C1N=C(C)C=CN1 M10135661P [0,0,0,0,0,1|1,0,1]=3 139 B8R1.4 O=C1NC(NC=N1)=S M10304133P [0,0,0,0,0,1|3,0,0]=4 140 B8R1.4 O=C1NC=NC(C)=C1 M10055230P [0,0,0,0,0,1|3,0,0]=4 141 B8R1.4 OC1=CC(C)=CN=C1 M10249420P [0,0,0,0,0,1|2,0,0]=3 142 B8R1.4 OC1=CC(C)=NC=C1 M10156352P [0,0,0,0,0,1|2,0,0]=3 143 B8R1.4 OC1=CC(N)=CN=C1 M10055416P [0,0,0,0,0,1|3,0,0]=4 144 B8R1.4 OC1=CC(O)=CN=C1 M10055417P [0,0,0,0,0,1|3,0,0]=4 145 B8R1.4 OC1=CC=CC(Br)=N1 M10200451P [0,0,0,0,0,1|2,0,1]=4 146 B8R1.4 OC1=CC=CC(N)=C1 M10000176P [0,0,0,0,0,1|3,0,0]=4 147 B8R1.4 OC1=CC=CC(N)=C1 M10429719P [0,0,0,0,0,1|3,0,0]=4 148 B8R1.4 OC1=NC(C)=CN=C1 M10167116P [0,0,0,0,0,1|1,0,1]=3 149 B8R1.4 OC1=NC(N)=NC=C1 M10018140P [0,0,0,0,0,1|2,0,1]=4 150 B8R1.4 OC1=NC=CC(Cl)=C1 M10243566P [0,0,0,0,0,1|3,0,0]=4 151 B8R1.4 OC1=NC=CC(O)=C1 M10498787P [0,0,0,0,0,1|3,0,0]=4 152 B8R1.4 OC1=NC=NC(C)=C1 M10784410P [0,0,0,0,0,1|3,0,0]=4 153 B8R1.4 S=C1N=C(C)C=CN1 M10098878P [0,0,0,0,0,1|1,0,1]=3 154 B5R0.1 C=C(OCC)C M10023218P [1,0,1,0,0,0|1,0,1]=4 155 B5R0.1 C\C=C\C(Cl)=O M10016774P [1,0,1,0,0,0|2,0,0]=4 156 B5R0.1 C\C=C\C(Cl)=O M10115520P [1,0,1,0,0,0|2,0,0]=4 157 B5R0.2 C\C=C\OCC M10023285P [1,0,1,0,0,0|1,0,1]=4 158 B5R0.3 C=CC(NC)=O M10028554P [1,0,1,0,0,0|1,0,0]=3 159 B5R1.1 C1=NC=CN1 M10031231P [2,0,0,0,0,0|1,0,0]=3 160 B5R1.1 N1N=NC=C1 M10187991P [2,0,0,0,0,0|2,0,0]=4 161 B5R1.1 O1N=CC=C1 M10007514P [2,0,0,0,0,0|1,0,1]=4 162 B5R1.1 S1N=CC=C1 M10007515P [2,0,0,0,0,0|1,0,1]=4 163 B7R0.3 C=CC(NCCC)=O M10192147P [0,1,1,0,0,0|1,0,1]=4 164 B7R0.6 CC(C)=CC=C(C)C M10020099P [0,1,1,0,0,0|1,0,0]=3 165 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,1,1,0,0,0|2,0,0]=4 166 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,1,1,0,0,0|2,0,0]=4 167 B7R1.1 BrCC1=CC=CO1 M10063276P [1,1,0,0,0,0|1,0,0]=3 168 B7R1.1 BrCC1=NNC=C1 M10649267P [1,1,0,0,0,0|1,0,1]=4 169 B7R1.1 C#CC1=CC=CS1 M10061791P [1,1,0,0,0,0|1,0,1]=4 170 B7R1.1 CCC1=NC=CS1 M10138064P [1,1,0,0,0,0|1,0,1]=4 171 B7R1.1 CCN1N=CC=C1 M10047966P [1,1,0,0,0,0|1,0,1]=4 172 B7R1.1 CSC1=NC=CS1 M10068366P [1,1,0,0,0,0|1,0,1]=4 173 B7R1.1 ClCC1=CC=CS1 M10020165P [1,1,0,0,0,0|1,0,0]=3 174 B7R1.1 ClCC1=CSC=N1 M10109961P [1,1,0,0,0,0|1,0,1]=4 175 B7R1.1 ClCC1=NC=CO1 M10813721P [1,1,0,0,0,0|1,0,1]=4 176 B7R1.1 N#CC1=CC=CO1 M10016313P [1,1,0,0,0,0|1,0,1]=4 177 B7R1.1 NCC1=CC=CN1 M10405721P [1,1,0,0,0,0|0,0,0]=2 178 B7R1.1 NCC1=CN=CO1 M10111263P [1,1,0,0,0,0|2,0,0]=4 179 B7R1.1 NCC1=CN=CS1 M10790734P [1,1,0,0,0,0|2,0,0]=4 180 B7R1.1 NCC1=CN=NN1 M10706931P [1,1,0,0,0,0|2,0,0]=4 181 B7R1.1 NCC1=NC=CO1 M11020248P [1,1,0,0,0,0|1,0,1]=4 182 B7R1.1 NCC1=NC=CS1 M10283798P [1,1,0,0,0,0|1,0,1]=4 183 B7R1.1 NCC1=NNC=C1 M10233808P [1,1,0,0,0,0|1,0,1]=4 184 B7R1.1 NCC1=NOC=C1 M10109645P [1,1,0,0,0,0|1,0,1]=4 185 B7R1.1 O=CC1=CC=CN1 M10846417P [1,1,0,0,0,0|0,0,1]=3 186 B7R1.1 OCC1=CNC=N1 M10021336P [1,1,0,0,0,0|1,0,1]=4 187 B7R1.1 OCC1=NC=CO1 M10731569P [1,1,0,0,0,0|1,0,1]=4 188 B7R1.1 OCC1=NNC=C1 M10180756P [1,1,0,0,0,0|1,0,1]=4 189 B7R1.1 SCC1=CC=CS1 M10085524P [1,1,0,0,0,0|1,0,0]=3 190 B7R1.4 CC1=C(C)SC=C1 M11197216P [1,1,0,0,0,0|1,0,0]=3 191 B7R1.4 CC1=CNN=C1C M10047993P [1,1,0,0,0,0|1,0,1]=4 192 B7R1.4 CC1=CNN=C1C M10830281P [1,1,0,0,0,0|1,0,1]=4 193 B7R1.4 CC1=NNC=C1I M10138633P [1,1,0,0,0,0|1,0,1]=4 194 B7R1.4 CN1C(Cl)=CN=C1 M10064184P [1,1,0,0,0,0|2,0,0]=4 195 B7R1.4 NC1=C(Br)C=NN1 M10142900P [1,1,0,0,0,0|2,0,0]=4 196 B7R1.4 NC1=C(C)ON=C1 M10520047P [1,1,0,0,0,0|2,0,0]=4 197 B7R1.4 NC1=CC=NN1C M10028700P [1,1,0,0,0,0|1,0,1]=4 198 B7R1.4 NC1=CN=CN1C M10098336P [1,1,0,0,0,0|2,0,0]=4 199 B7R1.4 NC1=NC=CN1C M10095148P [1,1,0,0,0,0|2,0,0]=4 200 B7R1.4 [Mn]C1=C(C)C=CC1 M10118086P [1,1,0,0,0,0|1,0,1]=4 201 B9R1.1 BrCC1=CN=C(Br)C=C1 M10646101P [0,1,0,0,0,1|1,0,1]=4 202 B9R1.1 C=CC1=CN=C(C)C=C1 M10005326P [0,1,0,0,0,1|0,0,2]=4 203 B9R1.1 CC1=CC=C(C=C1)NC M10016620P [0,1,0,0,0,1|1,0,0]=3 204 B9R1.1 CC1=CC=C(C=C1)NC M10186142P [0,1,0,0,0,1|1,0,0]=3 205 B9R1.1 CC1=CC=C([Mg]Br)C=C1 M10061754P [0,1,0,0,0,1|2,0,0]=4 206 B9R1.1 CC1=CN=C(CCl)C=C1 M10020245P [0,1,0,0,0,1|0,0,1]=3 207 B9R1.1 CC1=NC=C(CBr)C=C1 M10944411P [0,1,0,0,0,1|0,0,1]=3 208 B9R1.1 CC1=NC=C(CCl)C=C1 M10664175P [0,1,0,0,0,1|0,0,1]=3 209 B9R1.1 CC1=NC=C(NN)C=C1 M10025591P [0,1,0,0,0,1|1,0,1]=4 210 B9R1.1 CCC1=NC=C(Br)C=C1 M10237559P [0,1,0,0,0,1|1,0,1]=4 211 B9R1.1 CNC1=CC=C(Br)C=C1 M10097143P [0,1,0,0,0,1|2,0,0]=4 212 B9R1.1 CNC1=NN=C(Br)C=C1 M11113469P [0,1,0,0,0,1|1,0,1]=4 213 B9R1.1 COC1=CN=C(Br)C=C1 M10657138P [0,1,0,0,0,1|1,0,1]=4 214 B9R1.1 COC1=NN=C(Br)C=C1 M10148737P [0,1,0,0,0,1|1,0,1]=4 215 B9R1.1 COC1=NN=C(Cl)C=C1 M10035305P [0,1,0,0,0,1|1,0,1]=4 216 B9R1.1 IC1=CN=C(OC)C=C1 M10124057P [0,1,0,0,0,1|1,0,1]=4 217 B9R1.1 NC1=CC=C(CC)N=C1 M10723729P [0,1,0,0,0,1|1,0,1]=4 218 B9R1.1 NC1=CC=C(CN)C=C1 M10062858P [0,1,0,0,0,1|2,0,0]=4 219 B9R1.1 NC1=CC=C(CN)C=C1 M10278744P [0,1,0,0,0,1|2,0,0]=4 220 B9R1.1 NC1=CC=C(NC)C=C1 M10016621P [0,1,0,0,0,1|2,0,0]=4 221 B9R1.1 NC1=CN=C(NC)C=C1 M10200529P [0,1,0,0,0,1|1,0,1]=4 222 B9R1.1 NC1=NN=C(OC)C=C1 M10103130P [0,1,0,0,0,1|1,0,1]=4 223 B9R1.1 NCC1=CC=C(Br)N=C1 M10711508P [0,1,0,0,0,1|1,0,1]=4 224 B9R1.1 O=CC=1C=CC(NN1)=O M10083697P [0,1,0,0,0,1|1,0,1]=4 225 B9R1.1 OC1=CC=C(NC)C=C1 M10005653P [0,1,0,0,0,1|2,0,0]=4 226 B9R1.1 OCC1=CC=C(C)N=C1 M10222716P [0,1,0,0,0,1|0,0,1]=3 227 B9R1.1 OCC1=CC=C(S)C=C1 M10270070P [0,1,0,0,0,1|2,0,0]=4 228 B9R1.1 OCC1=CN=C(Br)C=C1 M10714795P [0,1,0,0,0,1|1,0,1]=4 229 B9R1.1 OCC1=NC=C(F)C=C1 M10960625P [0,1,0,0,0,1|1,0,1]=4 230 B9R1.1 SC1=CC=C(CC)C=C1 M10067515P [0,1,0,0,0,1|2,0,0]=4 231 B9R1.69 CC1=CC=C(Br)C(Br)=C1 M10318436P [0,1,0,0,0,1|2,0,0]=4 232 B9R1.69 CC1=CC=C(Cl)C(F)=C1 M10077332P [0,1,0,0,0,1|2,0,0]=4 233 B9R1.69 CC1=CC=C(I)C(C)=C1 M10061039P [0,1,0,0,0,1|2,0,0]=4 234 B9R1.69 CC1=CC=C(N)C(N)=C1 M10016161P [0,1,0,0,0,1|2,0,0]=4 235 B9R1.69 CC1=CN=C(Br)C(C)=C1 M10612808P [0,1,0,0,0,1|1,0,1]=4 236 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 M10413554P [0,1,0,0,0,1|1,0,1]=4 237 B9R1.69 CC1=CN=C(Br)C(F)=C1 M10224182P [0,1,0,0,0,1|1,0,1]=4 238 B9R1.69 CC1=CN=C(C)C=C1Br M10147354P [0,1,0,0,0,1|0,0,1]=3 239 B9R1.69 CC1=CN=C(Cl)C=C1I M11111464P [0,1,0,0,0,1|1,0,1]=4 240 B9R1.69 NC1=CC(C)=CC=C1I M10121669P [0,1,0,0,0,1|2,0,0]=4 241 B9R1.69 NC1=CC(Cl)=CC=C1C M10002425P [0,1,0,0,0,1|2,0,0]=4 242 B9R1.69 NC1=CC(Cl)=CC=C1C M10085536P [0,1,0,0,0,1|2,0,0]=4 243 B9R1.69 NC1=CC=C(C)C=C1N M11099928P [0,1,0,0,0,1|2,0,0]=4 244 B9R1.69 NC1=NC(C)=CC=C1N M10219813P [0,1,0,0,0,1|1,0,1]=4 245 B9R1.69 NC1=NC(C)=CN=C1C M10121012P [0,1,0,0,0,1|1,0,1]=4 246 B9R1.69 NC1=NC(Cl)=C(C)C=C1 M10879309P [0,1,0,0,0,1|1,0,1]=4 247 B9R1.69 NC1=NC=C(C)C=C1C M10247503P [0,1,0,0,0,1|1,0,1]=4 248 B9R1.69 NC1=NC=C(C)C=C1N M10185871P [0,1,0,0,0,1|1,0,1]=4 249 B9R1.69 O=C1C(Cl)=CC(Br)=CN1 M10299884P [0,1,0,0,0,1|2,0,0]=4 250 B9R1.69 O=C1C(I)=CC(Br)=CN1 M10869729P [0,1,0,0,0,1|2,0,0]=4 251 B9R1.69 O=C1C(N)=CC(C)=CN1 M10264699P [0,1,0,0,0,1|1,0,0]=3 252 B9R1.69 O=C1C=C(Cl)C(Cl)=CN1 M11002695P [0,1,0,0,0,1|2,0,0]=4 253 B9R1.69 O=C1NC(C(=NN1)C)=O M10023478P [0,1,0,0,0,1|2,0,0]=4 254 B9R1.69 OC1=CC(Cl)=CC=C1C M10070606P [0,1,0,0,0,1|2,0,0]=4 255 B9R1.69 OC1=CC(N)=CC=C1C M10810353P [0,1,0,0,0,1|2,0,0]=4 256 B9R1.69 OC1=CC=C(C)C(O)=C1 M10012294P [0,1,0,0,0,1|2,0,0]=4 257 B9R1.69 OC1=CC=C(C)N=C1Br M10177902P [0,1,0,0,0,1|1,0,1]=4 258 B9R1.69 OC1=CC=C(C)N=C1I M10177901P [0,1,0,0,0,1|1,0,1]=4 259 B9R1.69 OC1=NC=C(C)C(N)=C1 M10625616P [0,1,0,0,0,1|1,0,1]=4 260 B9R1.69 SC1=CC=C(C)C=C1S M10012295P [0,1,0,0,0,1|2,0,0]=4 261 B9R1.2 BrCC1=CC=CC(Br)=N1 M10489838P [0,1,0,0,0,1|1,0,1]=4 262 B9R1.2 CC1=CC(CBr)=CC=C1 M10016435P [0,1,0,0,0,1|1,0,0]=3 263 B9R1.2 CC1=CC(CCl)=NC=C1 M10444009P [0,1,0,0,0,1|1,0,0]=3 264 B9R1.2 CC1=CC=CC(CC)=N1 M10027285P [0,1,0,0,0,1|0,0,1]=3 265 B9R1.2 CC1=CC=CC(NN)=N1 M10070722P [0,1,0,0,0,1|1,0,1]=4 266 B9R1.2 CC1=CN=CC(C#N)=C1 M10249912P [0,1,0,0,0,1|1,0,1]=4 267 B9R1.2 CC1=CN=CC(CCl)=C1 M11092291P [0,1,0,0,0,1|1,0,0]=3 268 B9R1.2 CC1=CN=CC(NN)=N1 M10162979P [0,1,0,0,0,1|1,0,1]=4 269 B9R1.2 CNC1=CC(Br)=CN=C1 M12277746P [0,1,0,0,0,1|2,0,0]=4 270 B9R1.2 COC1=CC(Br)=CC=C1 M10043370P [0,1,0,0,0,1|2,0,0]=4 271 B9R1.2 COC1=CC(Br)=NC=C1 M10572179P [0,1,0,0,0,1|2,0,0]=4 272 B9R1.2 COC1=CC(Cl)=NC=C1 M10148084P [0,1,0,0,0,1|2,0,0]=4 273 B9R1.2 COC1=CC=CC(F)=N1 M10700396P [0,1,0,0,0,1|1,0,1]=4 274 B9R1.2 COC1=CC=NC(Br)=N1 M10086277P [0,1,0,0,0,1|1,0,1]=4 275 B9R1.2 COC1=NC(I)=NC=C1 M10186756P [0,1,0,0,0,1|1,0,1]=4 276 B9R1.2 COC1=NC=CC(I)=C1 M10634449P [0,1,0,0,0,1|2,0,0]=4 277 B9R1.2 CSC1=CC=CC(Br)=N1 M10454533P [0,1,0,0,0,1|1,0,1]=4 278 B9R1.2 CSC1=NC(Cl)=NC=C1 M10253231P [0,1,0,0,0,1|1,0,1]=4 279 B9R1.2 CSC1=NC=CC(Br)=N1 M11090114P [0,1,0,0,0,1|1,0,1]=4 280 B9R1.2 CSC1=NC=CC(C)=N1 M10127994P [0,1,0,0,0,1|0,0,1]=3 281 B9R1.2 ClC1=NC=CC(CBr)=N1 M10809079P [0,1,0,0,0,1|1,0,1]=4 282 B9R1.2 IC1=CC(CBr)=CC=C1 M10252627P [0,1,0,0,0,1|2,0,0]=4 283 B9R1.2 NC1=NC(CCl)=NC=C1 M10476274P [0,1,0,0,0,1|1,0,1]=4 284 B9R1.2 NC1=NC(OC)=CN=C1 M10097094P [0,1,0,0,0,1|1,0,1]=4 285 B9R1.2 NC1=NC=CC(CC)=C1 M10219781P [0,1,0,0,0,1|2,0,0]=4 286 B9R1.2 NCC1=CC(Br)=NC=C1 M11003796P [0,1,0,0,0,1|2,0,0]=4 287 B9R1.2 NCC1=CC=CC(Br)=C1 M10241157P [0,1,0,0,0,1|2,0,0]=4 288 B9R1.2 NCC1=NC(C)=CC=C1 M10094154P [0,1,0,0,0,1|0,0,1]=3 289 B9R1.2 NCC1=NC=CC(Br)=C1 M10091425P [0,1,0,0,0,1|2,0,0]=4 290 B9R1.2 NNC1=CC=CC(C)=C1 M10017295P [0,1,0,0,0,1|2,0,0]=4 291 B9R1.2 O=C1C=C(OC)C=CN1 M10265734P [0,1,0,0,0,1|2,0,0]=4 292 B9R1.2 O=C1N=C(OC)NC=C1 M10191767P [0,1,0,0,0,1|1,0,1]=4 293 B9R1.2 OC1=CC=CC(CC)=C1 M10016438P [0,1,0,0,0,1|2,0,0]=4 294 B9R1.2 OCC1=CC=CC(C)=C1 M10014885P [0,1,0,0,0,1|1,0,0]=3 295 B9R1.2 OCC1=NC(F)=CC=C1 M10857387P [0,1,0,0,0,1|1,0,1]=4 296 B9R1.2 OCC1=NC=CC(Br)=C1 M10733744P [0,1,0,0,0,1|2,0,0]=4 297 B9R1.3 CC1=C(Br)C(Cl)=CC=C1 M10433289P [0,1,0,0,0,1|2,0,0]=4 298 B9R1.3 CC1=C(Br)C(Cl)=NC=C1 M10282334P [0,1,0,0,0,1|2,0,0]=4 299 B9R1.3 CC1=C(C)C(C)=CC=C1 M10013159P [0,1,0,0,0,1|1,0,0]=3 300 B9R1.3 CC1=C(I)C(Cl)=NC=C1 M10081976P [0,1,0,0,0,1|2,0,0]=4 301 B9R1.3 CC1=CC=CC(O)=C1C M10030019P [0,1,0,0,0,1|2,0,0]=4 302 B9R1.3 NC1=C(Br)C=CN=C1C M10723209P [0,1,0,0,0,1|2,0,0]=4 303 B9R1.3 NC1=C(C)N=CN=C1C M10600318P [0,1,0,0,0,1|2,0,0]=4 304 B9R1.3 NC1=C(N)C=CN=C1C M10139486P [0,1,0,0,0,1|2,0,0]=4 305 B9R1.3 NC1=CC=CC(C)=C1N M10046729P [0,1,0,0,0,1|2,0,0]=4 306 B9R1.3 NC1=NC=CC(C)=C1N M10273572P [0,1,0,0,0,1|2,0,0]=4 307 B9R1.3 O=C1C(O)=C(C)NC=C1 M10147808P [0,1,0,0,0,1|2,0,0]=4 308 B9R1.3 OC1=C(C)C=CC=C1Cl M10001777P [0,1,0,0,0,1|2,0,0]=4 309 B9R1.3 OC1=C(C)C=CC=C1N M10150872P [0,1,0,0,0,1|2,0,0]=4 310 B9R1.3 OC1=C(C)N=CN=C1C M10438068P [0,1,0,0,0,1|2,0,0]=4 311 B9R1.3 [BH3-][N+]1=C(C)C=CC=C1C M10059198P [0,1,0,0,0,1|0,0,1]=3 312 B9R1.34 CC1=CC(Cl)=CC(C)=N1 M10055121P [0,1,0,0,0,1|0,0,1]=3 313 B9R1.34 CC1=CC(Cl)=NC(C)=N1 M10063697P [0,1,0,0,0,1|0,0,1]=3 314 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 M10240062P [0,1,0,0,0,1|2,0,0]=4 315 B9R1.34 NC1=CC(C)=CC(Br)=C1 M10456423P [0,1,0,0,0,1|2,0,0]=4 316 B9R1.34 NC1=NC(C)=CC(Cl)=C1 M10230426P [0,1,0,0,0,1|1,0,1]=4 317 B9R1.34 OC1=CC(C)=CC(Cl)=C1 M10300267P [0,1,0,0,0,1|2,0,0]=4 318 B9R1.34 OC1=CC(C)=CC(N)=C1 M10464542P [0,1,0,0,0,1|2,0,0]=4 319 B9R1.34 OC1=CC(C)=NC(C)=N1 M10093860P [0,1,0,0,0,1|0,0,1]=3 320 B9R1.34 OC1=NC(C)=CC(Br)=C1 M10006718P [0,1,0,0,0,1|1,0,1]=4 321 B9R1.34 OC1=NC(C)=CC(C)=C1 M10140776P [0,1,0,0,0,1|1,0,0]=3 322 B9R1.34 OC1=NC(C)=NC(N)=C1 M10020257P [0,1,0,0,0,1|1,0,1]=4 323 B9R1.34 OC1=NC(C)=NC(O)=C1 M10028791P [0,1,0,0,0,1|1,0,1]=4 324 B9R1.7 CC1=NC(CCN)=CN1 M10230514P [0,2,0,0,0,0|1,0,1]=4 325 B9R1.21 ClCC1=CC=C(CCl)S1 M10202767P [0,2,0,0,0,0|1,0,0]=3 326 B9R1.21 O=CC1=CC=C(CC)S1 M10231895P [0,2,0,0,0,0|1,0,1]=4 327 B9R1.21 O=CC1=CC=C(CO)O1 M10000689P [0,2,0,0,0,0|1,0,1]=4 328 B9R1.22 CC1=CC(C)=NN1CC M10150613P [0,2,0,0,0,0|1,0,1]=4 329 B9R1.22 O=CC1=C(C)OC(C)=N1 M10612234P [0,2,0,0,0,0|2,0,0]=4 330 B9R1.22 O=CC1=C(C)SC(C)=C1 M10193813P [0,2,0,0,0,0|1,0,0]=3 331 B9R1.22 OCC1=C(C)OC(C)=N1 M10612235P [0,2,0,0,0,0|1,0,1]=4 332 B9R1.23 CC1=CC(NC)=NN1C M10911159P [0,2,0,0,0,0|1,0,1]=4 333 B9R1.23 NC1=CN(CC)N=C1C M10087436P [0,2,0,0,0,0|1,0,1]=4 334 B9R1.23 NC1=CN(CC)N=C1C M11108144P [0,2,0,0,0,0|1,0,1]=4 335 B9R1.23 O=CC1=NC(C)=C(C)N1 M10706389P [0,2,0,0,0,0|1,0,1]=4 336 B9R1.35 CC(C1=NC(C)=CO1)=O M10600566P [0,2,0,0,0,0|1,0,1]=4 337 B9R1.35 CC(C1=NC(C)=CS1)=O M10108448P [0,2,0,0,0,0|1,0,1]=4 338 B9R1.35 O=C(C1=CC=C(Br)N1)O M10202057P [0,2,0,0,0,0|1,0,1]=4 339 B9R1.35 O=C(C1=CC=C(C)O1)O M10037928P [0,2,0,0,0,0|1,0,1]=4 340 B9R1.35 O=C(C1=CN=C(C)N1)O M10031064P [0,2,0,0,0,0|1,0,1]=4 341 B9R1.37 CC1=C(Br)C(C)=NN1C M10138628P [0,2,0,0,0,0|1,0,1]=4 342 B9R1.37 O=C1C(Br)=C(Br)C(N1)=O M10027257P [0,2,0,0,0,0|2,0,0]=4 343 B9R1.27 CC1=CNC(C)=C1CC M10012904P [0,2,0,0,0,0|2,0,0]=4 344 B7R1.3 O=C1NC=NC=C1 M10262703P [0,0,1,1,0,0|2,0,0]=4 345 B5R0.5 CC(C(C)=C)=O M10021132P [0,0,1,0,1,0|1,0,0]=3 346 B5R0.5 CC(C([O-])=O)=C M10077430P [0,0,1,0,1,0|2,0,0]=4 347 B5R0.5 CC(C([O-])=O)=C M10097056P [0,0,1,0,1,0|2,0,0]=4