0 B6R1.2 BrC1=CN=CS1 SY005152 [0,0,0,0,0,0|3,1,0]=4 1 B6R1.2 BrC1=CNC=N1 SY007649 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 BrC1=CNN=C1 SY002635 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 BrC1=CNN=N1 SY124531 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 BrC1=COC=N1 SY231290 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 BrC1=CON=C1 SY008721 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 BrC1=CSC=N1 SY005274 [0,0,0,0,0,0|3,1,0]=4 7 B6R1.2 BrC1=CSN=C1 SY009259 [0,0,0,0,0,0|3,1,0]=4 8 B6R1.2 BrC1=NC=CN1 SY021648 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 BrC1=NC=CS1 SY001649 [0,0,0,0,0,0|3,1,0]=4 10 B6R1.2 BrC1=NC=NN1 SY032210 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 BrC1=NC=NS1 SY029598 [0,0,0,0,0,0|3,1,0]=4 12 B6R1.2 BrC1=NN=CS1 SY025324 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 BrC1=NNC=C1 SY004896 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 BrC1=NOC=C1 SY009266 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 BrC1=NSC=C1 SY039106 [0,0,0,0,0,0|2,1,0]=3 16 B6R1.2 CC1=CC=CN1 SY004787 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 CC1=CC=NO1 SY038700 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 CC1=CNC=C1 SY014135 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 CC1=CNN=C1 SY006499 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 CC1=CNN=N1 SY105113 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 CC1=COC=N1 SY046619 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 CC1=CSC=N1 SY004152 [0,0,0,0,0,0|3,1,0]=4 23 B6R1.2 CC1=NC=CS1 SY009541 [0,0,0,0,0,0|3,1,0]=4 24 B6R1.2 CC1=NNC=N1 SY025686 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 CN1C=CN=N1 SY045526 [0,0,0,0,0,0|4,0,0]=4 26 B6R1.2 ClC1=CN=CN1 SY056650 [0,0,0,0,0,0|4,0,0]=4 27 B6R1.2 ClC1=CNN=C1 SY016263 [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 ClC1=NC=NS1 SY017464 [0,0,0,0,0,0|3,1,0]=4 29 B6R1.2 ClC1=NNC=C1 SY032847 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 ClC1=NNC=N1 SY031837 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 FC1=CNC=N1 SY058295 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 FC1=CNN=C1 SY031964 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 FC1=NNC=C1 SY072990 [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 IC1=CC=CS1 SY001504 [0,0,0,0,0,0|2,1,0]=3 35 B6R1.2 IC1=CNC=C1 SY288841 [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 IC1=CNC=N1 SY001996 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 IC1=CNC=N1 SY275838 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 IC1=CNN=C1 SY004083 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 IC1=CON=C1 SY106909 [0,0,0,0,0,0|3,0,0]=3 40 B6R1.2 IC1=CSC=C1 SY030129 [0,0,0,0,0,0|2,1,0]=3 41 B6R1.2 IC1=NC=CO1 SY098116 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 IC1=NNC=C1 SY026658 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 NC1=CN=CS1 SY069459 [0,0,0,0,0,0|3,1,0]=4 44 B6R1.2 NC1=CNN=C1 SY006645 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 NC1=COC=C1 SY237155 [0,0,0,0,0,0|2,0,0]=2 46 B6R1.2 NC1=CON=C1 SY041839 [0,0,0,0,0,0|3,0,0]=3 47 B6R1.2 NC1=CSC=C1 SY003022 [0,0,0,0,0,0|2,1,0]=3 48 B6R1.2 NC1=CSC=C1 SY098699 [0,0,0,0,0,0|2,1,0]=3 49 B6R1.2 NC1=CSC=N1 SY017948 [0,0,0,0,0,0|3,1,0]=4 50 B6R1.2 NC1=CSN=C1 SY241022 [0,0,0,0,0,0|3,1,0]=4 51 B6R1.2 NC1=NC=CN1 SY007805 [0,0,0,0,0,0|4,0,0]=4 52 B6R1.2 NC1=NC=CO1 SY004397 [0,0,0,0,0,0|3,0,0]=3 53 B6R1.2 NC1=NC=CS1 SY001447 [0,0,0,0,0,0|3,1,0]=4 54 B6R1.2 NC1=NC=CS1 SY112313 [0,0,0,0,0,0|3,1,0]=4 55 B6R1.2 NC1=NC=NS1 SY010738 [0,0,0,0,0,0|3,1,0]=4 56 B6R1.2 NC1=NC=NS1 SY021614 [0,0,0,0,0,0|3,1,0]=4 57 B6R1.2 NC1=NN=CO1 SY022770 [0,0,0,0,0,0|4,0,0]=4 58 B6R1.2 NC1=NOC=C1 SY007959 [0,0,0,0,0,0|2,0,0]=2 59 B6R1.2 NN1C=CC=C1 SY041957 [0,0,0,0,0,0|4,0,0]=4 60 B6R1.2 O=C1C=CCN1 SY032773 [0,0,0,0,0,0|2,0,0]=2 61 B6R1.2 O=C1C=CCO1 SY017893 [0,0,0,0,0,0|1,0,0]=1 62 B6R1.2 O=C1C=CNN1 SY022755 [0,0,0,0,0,0|2,0,0]=2 63 B6R1.2 O=C1C=CSN1 SY045488 [0,0,0,0,0,0|1,1,0]=2 64 B6R1.2 O=C1CC=NN1 SY211686 [0,0,0,0,0,0|2,0,1]=3 65 B6R1.2 O=C1CCNC1 SY019727 [0,0,0,0,0,0|2,0,2]=4 66 B6R1.2 O=C1CCNN1 SY073624 [0,0,0,0,0,0|2,0,2]=4 67 B6R1.2 O=C1CCOC1 SY003100 [0,0,0,0,0,0|1,0,2]=3 68 B6R1.2 O=C1N=CNN1 SY014481 [0,0,0,0,0,0|3,0,0]=3 69 B6R1.2 O=C1NC=CN1 SY006094 [0,0,0,0,0,0|3,0,0]=3 70 B6R1.2 O=C1NCCO1 SY003480 [0,0,0,0,0,0|2,0,1]=3 71 B6R1.2 O=C1NCCS1 SY037960 [0,0,0,0,0,0|2,1,1]=4 72 B6R1.2 O=C1OC=CO1 SY001314 [0,0,0,0,0,0|2,0,0]=2 73 B6R1.2 O=S1OCCO1 SY036937 [0,0,0,0,0,0|3,0,1]=4 74 B6R1.2 OC1=CC=CS1 SY248518 [0,0,0,0,0,0|1,1,1]=3 75 B6R1.2 OC1=CNN=C1 SY032456 [0,0,0,0,0,0|3,0,1]=4 76 B6R1.2 OC1=NOC=C1 SY197715 [0,0,0,0,0,0|1,0,1]=2 77 B6R1.2 SC1=NNC=N1 SY036776 [0,0,0,0,0,0|3,1,0]=4 78 B6R1.2 [S-]C1=CN=NN1 SY026376 [0,0,0,0,0,0|3,1,0]=4 79 B5R1.1 C1=CCC=C1 SY010219 [1,0,0,0,0,0|2,0,0]=3 80 B5R1.1 C1=CCNC1 SY012047 [1,0,0,0,0,0|2,0,1]=4 81 B5R1.1 C1=CNC=N1 SY112845 [1,0,0,0,0,0|3,0,0]=4 82 B5R1.1 C1=NC=NN1 SY001414 [1,0,0,0,0,0|3,0,0]=4 83 B5R1.1 C1=NC=N[N-]1 SY004810 [1,0,0,0,0,0|3,0,0]=4 84 B5R1.1 C1=NC=N[N-]1 SY295434 [1,0,0,0,0,0|3,0,0]=4 85 B5R1.1 C1=NNN=C1 SY005819 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 BrCC1=CSC=C1 SY021673 [0,1,0,0,0,0|2,1,0]=4 87 B7R1.1 BrCC1=NC=CO1 SY024822 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.1 C#CC1=CC=CN1 SY281703 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.1 C#CC1=CC=CO1 SY253025 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.1 C#CC1=CC=CS1 SY021631 [0,1,0,0,0,0|2,1,0]=4 91 B7R1.1 C=CC1=CC=CS1 SY024253 [0,1,0,0,0,0|2,1,0]=4 92 B7R1.1 CCC1=CC=CS1 SY048489 [0,1,0,0,0,0|2,1,0]=4 93 B7R1.1 CCC1=CSC=C1 SY036406 [0,1,0,0,0,0|2,1,0]=4 94 B7R1.1 COC1=NNC=C1 SY147600 [0,1,0,0,0,0|2,0,1]=4 95 B7R1.1 ClCC1=CN=CO1 SY232319 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.1 ClCC1=NC=CO1 SY016952 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.1 ClCC1=NNC=C1 SY012821 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.1 N#CC1=CC=CN1 SY012801 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.1 N#CC1=CC=CO1 SY048410 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.1 N#CC1=CCOC1 SY296040 [0,1,0,0,0,0|2,0,1]=4 101 B7R1.1 N#CC1=COC=N1 SY026396 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.1 N#CC1=CSC=C1 SY017477 [0,1,0,0,0,0|2,1,0]=4 103 B7R1.1 N#CC1=NNC=C1 SY031847 [0,1,0,0,0,0|3,0,0]=4 104 B7R1.1 NCC1=CC=CN1 SY032090 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.1 NCC1=CC=NO1 SY021529 [0,1,0,0,0,0|2,0,0]=3 106 B7R1.1 NCC1=COC=C1 SY002989 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 NCC1=COC=N1 SY026493 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.1 NCC1=COC=N1 SY043130 [0,1,0,0,0,0|3,0,0]=4 109 B7R1.1 NCC1=CON=C1 SY211967 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.1 NCC1=CSC=C1 SY006774 [0,1,0,0,0,0|2,1,0]=4 111 B7R1.1 NCC1=CSC=C1 SY018599 [0,1,0,0,0,0|2,1,0]=4 112 B7R1.1 NCC1=NC=CO1 SY026394 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.1 NCC1=NNC=C1 SY005508 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.1 NCC1=NOC=C1 SY024118 [0,1,0,0,0,0|2,0,0]=3 115 B7R1.1 NCC1=NOC=C1 SY034799 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.1 O=CC1=CC=CN1 SY001497 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.1 O=CC1=CN=CO1 SY025934 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.1 O=CC1=CN=CS1 SY005766 [0,1,0,0,0,0|2,1,0]=4 119 B7R1.1 O=CC1=CNC=C1 SY010726 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.1 O=CC1=CNC=N1 SY003074 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.1 O=CC1=CNN=C1 SY013236 [0,1,0,0,0,0|3,0,0]=4 122 B7R1.1 O=CC1=COC=C1 SY013826 [0,1,0,0,0,0|1,0,0]=2 123 B7R1.1 O=CC1=COC=N1 SY051228 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.1 O=CC1=CSC=N1 SY019858 [0,1,0,0,0,0|2,1,0]=4 125 B7R1.1 O=CC1=NC=CN1 SY014217 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.1 O=CC1=NC=CS1 SY005879 [0,1,0,0,0,0|2,1,0]=4 127 B7R1.1 OCC1=CC=CS1 SY036796 [0,1,0,0,0,0|1,1,1]=4 128 B7R1.1 OCC1=CC=NO1 SY179337 [0,1,0,0,0,0|1,0,1]=3 129 B7R1.1 OCC1=CN=CO1 SY025391 [0,1,0,0,0,0|2,0,1]=4 130 B7R1.1 OCC1=COC=C1 SY033055 [0,1,0,0,0,0|1,0,1]=3 131 B7R1.1 OCC1=COC=N1 SY012558 [0,1,0,0,0,0|2,0,1]=4 132 B7R1.1 OCC1=CSC=C1 SY017648 [0,1,0,0,0,0|1,1,1]=4 133 B7R1.1 OCC1=NNC=C1 SY012820 [0,1,0,0,0,0|2,0,1]=4 134 B7R1.2 BrC1=CC(Br)=NN1 SY059800 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.2 BrC1=CC=C(Br)O1 SY047378 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.2 BrC1=CC=C(I)S1 SY027999 [0,1,0,0,0,0|2,1,0]=4 137 B7R1.2 BrC1=CSC(Br)=C1 SY031539 [0,1,0,0,0,0|2,1,0]=4 138 B7R1.2 BrC1=CSC(I)=C1 SY202441 [0,1,0,0,0,0|2,1,0]=4 139 B7R1.2 CC1=CC(Br)=CS1 SY009269 [0,1,0,0,0,0|2,1,0]=4 140 B7R1.2 CC1=CC(Br)=NN1 SY030862 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.2 CC1=CC(Br)=NO1 SY037249 [0,1,0,0,0,0|2,0,0]=3 142 B7R1.2 CC1=CC(C)=NN1 SY001302 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.2 CC1=CC(Cl)=NN1 SY035853 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.2 CC1=CC(I)=NN1 SY114542 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.2 CC1=CC(N)=NN1 SY003009 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.2 CC1=CC(N)=NO1 SY001097 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.2 CC1=CC=C(Br)S1 SY002012 [0,1,0,0,0,0|2,1,0]=4 148 B7R1.2 CC1=CC=C(C)S1 SY018010 [0,1,0,0,0,0|2,1,0]=4 149 B7R1.2 CC1=CC=C(I)S1 SY016776 [0,1,0,0,0,0|2,1,0]=4 150 B7R1.2 CC1=CN=C(C)O1 SY040818 [0,1,0,0,0,0|3,0,0]=4 151 B7R1.2 CC1=CN=C(I)O1 SY294256 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.2 CC1=NC(Br)=NO1 SY041226 [0,1,0,0,0,0|3,0,0]=4 153 B7R1.2 CC1=NC(N)=NO1 SY083716 [0,1,0,0,0,0|3,0,0]=4 154 B7R1.2 CC1=NN(C)C=C1 SY017661 [0,1,0,0,0,0|3,0,0]=4 155 B7R1.2 CC1=NNC(=O)C1 SY010796 [0,1,0,0,0,0|2,0,1]=4 156 B7R1.2 CC1=NNC(=O)O1 SY017602 [0,1,0,0,0,0|3,0,0]=4 157 B7R1.2 CC1=NOC(N)=C1 SY048418 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.2 CC1=NOC(O)=C1 SY040816 [0,1,0,0,0,0|1,0,1]=3 159 B7R1.2 CC1=NSC(N)=C1 SY027628 [0,1,0,0,0,0|2,1,0]=4 160 B7R1.2 CC1CCC(=O)O1 SY011304 [0,1,0,0,0,0|1,0,2]=4 161 B7R1.2 CC1COC(=O)N1 SY037847 [0,1,0,0,0,0|2,0,1]=4 162 B7R1.2 CN1C=CC(=O)N1 SY047877 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.2 CN1C=CC(Br)=N1 SY007834 [0,1,0,0,0,0|3,0,0]=4 164 B7R1.2 CN1C=CC(I)=N1 SY041223 [0,1,0,0,0,0|3,0,0]=4 165 B7R1.2 CN1C=CC(N)=N1 SY003249 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [0,1,0,0,0,0|2,0,1]=4 167 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [0,1,0,0,0,0|2,0,1]=4 168 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [0,1,0,0,0,0|2,0,1]=4 169 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [0,1,0,0,0,0|2,0,1]=4 170 B7R1.2 ClC1=CC=C(Br)S1 SY030451 [0,1,0,0,0,0|2,1,0]=4 171 B7R1.2 FC1=CC=C(Br)O1 SY301649 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.2 NC1=CC(Br)=CS1 SY270848 [0,1,0,0,0,0|2,1,0]=4 173 B7R1.2 NC1=CC(Cl)=NN1 SY042394 [0,1,0,0,0,0|3,0,0]=4 174 B7R1.2 NC1=CC(N)=NN1 SY022707 [0,1,0,0,0,0|3,0,0]=4 175 B7R1.2 NC1=CSC(Br)=C1 SY280173 [0,1,0,0,0,0|2,1,0]=4 176 B7R1.2 NC1=NC(=O)CS1 SY034788 [0,1,0,0,0,0|2,1,0]=4 177 B7R1.2 NC1=NNC(Br)=C1 SY027745 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,1,0,0,0,0|1,0,2]=4 179 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,1,0,0,0,0|1,0,2]=4 180 B7R1.2 O=C1CCC(=O)C1 SY003377 [0,1,0,0,0,0|2,0,1]=4 181 B7R1.2 O=C1COC(=O)C1 SY048546 [0,1,0,0,0,0|1,0,1]=3 182 B7R1.2 O=C1CSC(=O)N1 SY001546 [0,1,0,0,0,0|2,1,0]=4 183 B7R1.2 O=C1CSC(=S)N1 SY037748 [0,1,0,0,0,0|2,1,0]=4 184 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,1,0,0,0,0|1,0,2]=4 185 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,1,0,0,0,0|1,0,2]=4 186 B7R1.2 O=C1OCC(F)O1 SY017141 [0,1,0,0,0,0|2,0,1]=4 187 B7R1.4 BrC1=COC=C1Br SY023104 [0,1,0,0,0,0|2,0,0]=3 188 B7R1.4 BrC1=CSC=C1Br SY001342 [0,1,0,0,0,0|2,1,0]=4 189 B7R1.4 BrC1=NNC=C1I SY044788 [0,1,0,0,0,0|3,0,0]=4 190 B7R1.4 C=C1CCOC1=O SY013907 [0,1,0,0,0,0|1,0,1]=3 191 B7R1.4 CC1=C(C)NC=C1 SY284153 [0,1,0,0,0,0|3,0,0]=4 192 B7R1.4 CC1=C(I)C=NO1 SY038698 [0,1,0,0,0,0|2,0,0]=3 193 B7R1.4 CC1=C(N)ON=C1 SY193496 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.4 CC1=CC=NN1C SY032670 [0,1,0,0,0,0|3,0,0]=4 195 B7R1.4 CC1=CCNC1=O SY295114 [0,1,0,0,0,0|2,0,0]=3 196 B7R1.4 CC1=CNN=C1Br SY035870 [0,1,0,0,0,0|3,0,0]=4 197 B7R1.4 CC1=CNN=C1C SY024902 [0,1,0,0,0,0|3,0,0]=4 198 B7R1.4 CC1=CNN=C1C SY102711 [0,1,0,0,0,0|3,0,0]=4 199 B7R1.4 CC1=CNN=C1N SY026483 [0,1,0,0,0,0|3,0,0]=4 200 B7R1.4 CC1=COC=C1Br SY298744 [0,1,0,0,0,0|2,0,0]=3 201 B7R1.4 CC1=CON=C1Br SY037253 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.4 CC1=CSC=C1Br SY009333 [0,1,0,0,0,0|2,1,0]=4 203 B7R1.4 CC1=CSC=C1C SY100626 [0,1,0,0,0,0|2,1,0]=4 204 B7R1.4 CC1=NNC=C1Br SY010801 [0,1,0,0,0,0|3,0,0]=4 205 B7R1.4 CC1=NNC=C1I SY010800 [0,1,0,0,0,0|3,0,0]=4 206 B7R1.4 CC1=NOC=C1Br SY265513 [0,1,0,0,0,0|2,0,0]=3 207 B7R1.4 CC1=NON=C1C SY130728 [0,1,0,0,0,0|3,0,0]=4 208 B7R1.4 CC1CCOC1=O SY051660 [0,1,0,0,0,0|1,0,2]=4 209 B7R1.4 CC1OCCC1=O SY001818 [0,1,0,0,0,0|1,0,2]=4 210 B7R1.4 CN1N=CC=C1Br SY043010 [0,1,0,0,0,0|3,0,0]=4 211 B7R1.4 CN1N=CC=C1I SY037964 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.4 CN1N=CC=C1N SY003710 [0,1,0,0,0,0|3,0,0]=4 213 B7R1.4 CN1N=CC=C1O SY047635 [0,1,0,0,0,0|2,0,1]=4 214 B7R1.4 ClC1=C(Br)C=CS1 SY022252 [0,1,0,0,0,0|2,1,0]=4 215 B7R1.4 ClC1=C(Br)SC=C1 SY106998 [0,1,0,0,0,0|2,1,0]=4 216 B7R1.4 FC1=CNC=C1F SY061063 [0,1,0,0,0,0|3,0,0]=4 217 B7R1.4 NC1=CNN=C1Cl SY116004 [0,1,0,0,0,0|3,0,0]=4 218 B7R1.4 NC1=CSC=C1N SY184607 [0,1,0,0,0,0|2,1,0]=4 219 B7R1.4 NC1=NNC=C1Br SY007923 [0,1,0,0,0,0|3,0,0]=4 220 B7R1.4 NC1=NON=C1N SY046572 [0,1,0,0,0,0|3,0,0]=4 221 B7R1.4 NC1CCOC1=O SY111957 [0,1,0,0,0,0|1,0,2]=4 222 B7R1.4 NN1CCOC1=O SY038618 [0,1,0,0,0,0|2,0,1]=4 223 B7R1.4 N[C@@H]1CCOC1=O SY017502 [0,1,0,0,0,0|1,0,2]=4 224 B7R1.4 N[C@@H]1CONC1=O SY005636 [0,1,0,0,0,0|1,0,2]=4 225 B7R1.4 N[C@H]1CCOC1=O SY027501 [0,1,0,0,0,0|1,0,2]=4 226 B7R1.4 N[C@H]1CCOC1=O SY030497 [0,1,0,0,0,0|1,0,2]=4 227 B7R1.4 O=C1CCCC1=O SY057516 [0,1,0,0,0,0|2,0,1]=4 228 B7R1.4 O=C1OCC=C1Br SY017900 [0,1,0,0,0,0|1,0,0]=2 229 B7R1.4 O=C1OCCC1Br SY001762 [0,1,0,0,0,0|1,0,2]=4 230 B7R1.4 O=C1OCCC1O SY052569 [0,1,0,0,0,0|1,0,2]=4 231 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,1,0,0,0,0|1,0,2]=4 232 B7R1.14 O=S1(=O)C=CCO1 SY029588 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.1 C#CCC(=O)O SY040154 [0,0,1,0,0,0|1,0,2]=4 234 B5R0.1 C=CNC(N)=O SY159600 [0,0,1,0,0,0|3,0,0]=4 235 B5R0.1 CC(=O)CCO SY002849 [0,0,1,0,0,0|1,0,2]=4 236 B5R0.1 CC(=O)NCO SY047960 [0,0,1,0,0,0|2,0,1]=4 237 B5R0.1 CC(=O)OCBr SY051438 [0,0,1,0,0,0|2,0,1]=4 238 B5R0.1 CC(=O)\C=N/O SY112549 [0,0,1,0,0,0|2,0,0]=3 239 B5R0.1 CNCC(=O)O SY001630 [0,0,1,0,0,0|2,0,1]=4 240 B5R0.1 C\C(I)=C\CO SY246995 [0,0,1,0,0,0|2,0,1]=4 241 B5R0.1 C\C(I)=C\CO SY252919 [0,0,1,0,0,0|2,0,1]=4 242 B5R0.1 C\C=C\B(O)O SY027001 [0,0,1,0,0,0|2,0,1]=4 243 B5R0.1 O=C(O)CCF SY008508 [0,0,1,0,0,0|1,0,2]=4 244 B5R0.1 O=C(O)CCO SY003982 [0,0,1,0,0,0|0,0,2]=3 245 B5R0.1 O=C(O)\C=C\Br SY026854 [0,0,1,0,0,0|1,0,0]=2 246 B5R0.2 O=CNNC=O SY012914 [0,0,1,0,0,0|3,0,0]=4 247 B5R0.2 OC\C=C\CO SY036452 [0,0,1,0,0,0|1,0,2]=4 248 B5R0.3 C=CC(=O)NC SY057550 [0,0,1,0,0,0|2,0,0]=3 249 B5R0.3 C=CC(C)ON SY039116 [0,0,1,0,0,0|2,0,1]=4 250 B5R0.3 C=CC(O)CO SY275096 [0,0,1,0,0,0|1,0,2]=4 251 B5R0.3 C=C[C@@H](N)CO SY211186 [0,0,1,0,0,0|2,0,1]=4 252 B5R0.3 C=C[C@H](N)CO SY101322 [0,0,1,0,0,0|2,0,1]=4 253 B5R0.3 COC(=O)CN SY001589 [0,0,1,0,0,0|2,0,1]=4 254 B5R0.3 COC(=O)CO SY003097 [0,0,1,0,0,0|2,0,1]=4 255 B5R0.3 C\C(=C/I)CO SY270524 [0,0,1,0,0,0|3,0,0]=4 256 B5R0.3 NNC(=O)CO SY059283 [0,0,1,0,0,0|3,0,0]=4 257 B5R0.3 O=C(CO)CO SY038299 [0,0,1,0,0,0|2,0,1]=4 258 B5R1.2 O=C1CNC1 SY027144 [0,0,0,0,1,0|2,0,1]=4 259 B5R1.2 O=C1COC1 SY003915 [0,0,0,0,1,0|1,0,1]=3 260 B7R1.3 BrC1=CC=CN=N1 SY007900 [0,0,0,0,0,1|3,0,0]=4 261 B7R1.3 BrC1=CN=CN=C1 SY004103 [0,0,0,0,0,1|3,0,0]=4 262 B7R1.3 BrC1=CN=CN=N1 SY300036 [0,0,0,0,0,1|3,0,0]=4 263 B7R1.3 BrC1=NC=CC=N1 SY004970 [0,0,0,0,0,1|3,0,0]=4 264 B7R1.3 BrC1=NC=CN=C1 SY019862 [0,0,0,0,0,1|3,0,0]=4 265 B7R1.3 BrC1=NC=NC=C1 SY110226 [0,0,0,0,0,1|3,0,0]=4 266 B7R1.3 C1=CC=C(Br)C=C1 SY061516 [0,0,0,0,0,1|3,0,0]=4 267 B7R1.3 CC1=CC=CCC1 SY292105 [0,0,0,0,0,1|3,0,0]=4 268 B7R1.3 CC1=CC=NN=C1 SY046980 [0,0,0,0,0,1|3,0,0]=4 269 B7R1.3 CC1=CCCC=C1 SY292104 [0,0,0,0,0,1|3,0,0]=4 270 B7R1.3 CC1=NC=CC=N1 SY008219 [0,0,0,0,0,1|3,0,0]=4 271 B7R1.3 CC1=NC=NC=C1 SY009308 [0,0,0,0,0,1|3,0,0]=4 272 B7R1.3 CC1=NN=CC=C1 SY031534 [0,0,0,0,0,1|3,0,0]=4 273 B7R1.3 ClC1=NN=CC=C1 SY097653 [0,0,0,0,0,1|3,0,0]=4 274 B7R1.3 IC1=CC=CN=C1 SY007548 [0,0,0,0,0,1|3,0,0]=4 275 B7R1.3 IC1=CN=CC=N1 SY005099 [0,0,0,0,0,1|3,0,0]=4 276 B7R1.3 IC1=CN=CN=C1 SY058504 [0,0,0,0,0,1|3,0,0]=4 277 B7R1.3 IC1=NC=CC=C1 SY013861 [0,0,0,0,0,1|3,0,0]=4 278 B7R1.3 IC1=NC=CC=N1 SY045305 [0,0,0,0,0,1|3,0,0]=4 279 B7R1.3 NC1=CC=NC=N1 SY006845 [0,0,0,0,0,1|3,0,0]=4 280 B7R1.3 NC1=CN=CN=C1 SY007106 [0,0,0,0,0,1|3,0,0]=4 281 B7R1.3 NC1=CN=NC=C1 SY008183 [0,0,0,0,0,1|3,0,0]=4 282 B7R1.3 NC1=NC=CN=C1 SY001512 [0,0,0,0,0,1|3,0,0]=4 283 B7R1.3 NC1=NC=CN=N1 SY011250 [0,0,0,0,0,1|3,0,0]=4 284 B7R1.3 NC1=NN=CC=C1 SY017896 [0,0,0,0,0,1|3,0,0]=4 285 B7R1.3 O=C1C=CC=NN1 SY020182 [0,0,0,0,0,1|2,0,0]=3 286 B7R1.3 O=C1C=CCCN1 SY259179 [0,0,0,0,0,1|2,0,0]=3 287 B7R1.3 O=C1C=CN=CN1 SY002707 [0,0,0,0,0,1|2,0,0]=3 288 B7R1.3 O=C1CC=CCN1 SY270920 [0,0,0,0,0,1|2,0,0]=3 289 B7R1.3 O=C1CCCCO1 SY018264 [0,0,0,0,0,1|1,0,2]=4 290 B7R1.3 O=C1CCCOC1 SY003102 [0,0,0,0,0,1|1,0,2]=4 291 B7R1.3 O=C1CNCCO1 SY047308 [0,0,0,0,0,1|1,0,2]=4 292 B7R1.3 O=C1COCCN1 SY003974 [0,0,0,0,0,1|1,0,2]=4 293 B7R1.3 O=C1COCCO1 SY055447 [0,0,0,0,0,1|1,0,2]=4 294 B7R1.3 O=C1NCCCO1 SY005699 [0,0,0,0,0,1|1,0,2]=4 295 B7R1.3 OC1=CC=NC=C1 SY003367 [0,0,0,0,0,1|2,0,1]=4 296 B7R1.3 OC1=CC=NN=C1 SY045502 [0,0,0,0,0,1|2,0,1]=4 297 B7R1.3 OC1=CN=CC=N1 SY007023 [0,0,0,0,0,1|2,0,1]=4 298 B7R1.3 OC1=NC=CC=N1 SY013551 [0,0,0,0,0,1|2,0,1]=4 299 B7R1.3 OC1=NC=CC=N1 SY020185 [0,0,0,0,0,1|2,0,1]=4 300 B7R1.3 OC1=NC=NC=C1 SY046617 [0,0,0,0,0,1|2,0,1]=4 301 B7R1.3 SC1=CC=CC=N1 SY009099 [0,0,0,0,0,1|2,1,0]=4 302 B7R1.3 SC1=NC=CC=N1 SY048492 [0,0,0,0,0,1|2,1,0]=4 303 B7R1.3 [O-]C1=CC=CC=C1 SY099113 [0,0,0,0,0,1|2,0,1]=4 304 B4R0.1 C=C(Br)CO SY043202 [1,0,1,0,0,0|2,0,0]=4 305 B4R0.2 C=CCON SY029026 [1,0,1,0,0,0|1,0,1]=4 306 B6R0.1 C=CCC(=O)OC SY025883 [0,1,1,0,0,0|1,0,1]=4 307 B6R0.1 COC(=O)C=CI SY264761 [0,1,1,0,0,0|1,0,0]=3 308 B6R0.1 COC(=O)CCO SY008913 [0,1,1,0,0,0|0,0,2]=4 309 B6R0.1 COC(=O)\C=C/I SY257888 [0,1,1,0,0,0|1,0,0]=3 310 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,1,1,0,0,0|1,0,1]=4 311 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,1,1,0,0,0|1,0,1]=4 312 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,1,1,0,0,0|1,0,1]=4 313 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,1,1,0,0,0|1,0,1]=4 314 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,1,1,0,0,0|1,0,1]=4 315 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,1,1,0,0,0|1,0,1]=4 316 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,1,1,0,0,0|1,0,1]=4 317 B6R0.2 O=C(O)CC(=O)O SY001875 [0,1,1,0,0,0|0,0,1]=3 318 B6R0.3 C=CC(=O)C(=O)O SY253275 [0,1,1,0,0,0|1,0,0]=3 319 B6R0.3 CCC(=O)C(=O)O SY011034 [0,1,1,0,0,0|1,0,1]=4 320 B6R0.3 C\C=C(\C)C(=O)O SY053021 [0,1,1,0,0,0|1,0,0]=3 321 B6R0.3 NC(CO)C(=O)O SY003812 [0,1,1,0,0,0|0,0,2]=4 322 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,1,1,0,0,0|0,0,2]=4 323 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,1,1,0,0,0|0,0,2]=4 324 B6R0.3 O=C(O)C(Br)CO SY261671 [0,1,1,0,0,0|0,0,2]=4 325 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,1,1,0,0,0|0,0,2]=4 326 B6R0.4 COCCC(=O)O SY028921 [0,1,1,0,0,0|0,0,2]=4 327 B6R0.4 CO\C=C\C(C)=O SY029615 [0,1,1,0,0,0|1,0,0]=3 328 B6R0.4 N#CC=CC(=O)O SY249647 [0,1,1,0,0,0|1,0,0]=3 329 B6R0.4 N#C\C=C/C(=O)O SY252923 [0,1,1,0,0,0|1,0,0]=3 330 B6R0.4 O=C(Cl)\C=C\CBr SY263119 [0,1,1,0,0,0|2,0,0]=4 331 B6R0.4 O=C(O)C#CCO SY046324 [0,1,1,0,0,0|0,0,2]=4 332 B6R0.4 O=C(O)\C=C\CBr SY028405 [0,1,1,0,0,0|1,0,0]=3 333 B6R0.4 O=C(O)\C=C\CO SY032954 [0,1,1,0,0,0|0,0,0]=2 334 B6R0.4 O=CNCC(=O)O SY052094 [0,1,1,0,0,0|0,0,2]=4 335 B8R1.2 O=CC1=CC=NN=C1 SY039203 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.2 O=CC1=CN=CN=C1 SY002007 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.2 O=CC1=NC=CN=C1 SY023908 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.2 O=CC1=NC=NC=C1 SY024569 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.2 O=NC1=CC=CC=C1 SY031930 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.3 CC1=CNC(=O)C=N1 SY027652 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.3 CC1=NNC(=O)C=C1 SY013962 [0,1,0,0,0,1|2,0,0]=4 342 B8R1.3 CC1=NNC(=O)C=C1 SY014239 [0,1,0,0,0,1|2,0,0]=4 343 B8R1.3 CC1C=CC(=O)CC1 SY100224 [0,1,0,0,0,1|2,0,0]=4 344 B8R1.3 O=C1C=CC(Br)=NN1 SY113687 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.3 O=C1C=CC(Cl)=NN1 SY023996 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.3 O=C1C=CC(O)=CN1 SY023088 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.3 O=C1C=NC(Cl)=CN1 SY030969 [0,1,0,0,0,1|2,0,0]=4 348 B8R1.4 CC1=CC(=O)CCC1 SY011435 [0,1,0,0,0,1|2,0,0]=4 349 B8R1.4 CC1=CC(=O)NN=C1 SY031246 [0,1,0,0,0,1|2,0,0]=4 350 B8R1.4 NC1=CC(=O)CCC1 SY019251 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.4 NC1=CC(=O)NC=C1 SY020837 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.4 NC1=NC(=O)NC=C1 SY001643 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.4 NC1=NC=CC(=O)N1 SY013450 [0,1,0,0,0,1|2,0,0]=4 354 B8R1.4 O=C1C=C(Cl)C=NN1 SY014044 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.4 O=C1C=C(I)C=CN1 SY047222 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.4 O=C1C=C(I)C=NN1 SY113272 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.4 O=C1C=CNC(=O)N1 SY008943 [0,1,0,0,0,1|2,0,0]=4 358 B8R1.4 O=C1C=CNC(=S)N1 SY014748 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.4 O=C1C=NNC(=O)N1 SY031517 [0,1,0,0,0,1|2,0,0]=4 360 B8R1.4 O=C1COCC(=O)C1 SY042206 [0,1,0,0,0,1|1,0,1]=4 361 B8R1.4 O=C1COCC(=O)O1 SY005494 [0,1,0,0,0,1|1,0,1]=4 362 B8R1.5 CC1=CC=CNC1=O SY020532 [0,1,0,0,0,1|2,0,0]=4 363 B8R1.5 CC1=CC=NNC1=O SY031250 [0,1,0,0,0,1|2,0,0]=4 364 B8R1.5 CC1=CN=CNC1=O SY031521 [0,1,0,0,0,1|2,0,0]=4 365 B8R1.5 NC1=NC=CNC1=O SY021602 [0,1,0,0,0,1|2,0,0]=4 366 B8R1.5 O=C1C=COC=C1O SY024796 [0,1,0,0,0,1|1,0,0]=3 367 B8R1.5 O=C1NC=NC=C1Br SY031524 [0,1,0,0,0,1|2,0,0]=4 368 B8R1.5 O=C1NC=NC=C1Br SY267153 [0,1,0,0,0,1|2,0,0]=4 369 B8R1.5 O=C1NCCC=C1Br SY263614 [0,1,0,0,0,1|2,0,0]=4 370 B8R1.5 O=C1NN=CC=C1Cl SY033523 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.5 O=C1OC=CC=C1Br SY027771 [0,1,0,0,0,1|1,0,0]=3 372 B8R1.5 O=C1OC=CC=C1O SY114649 [0,1,0,0,0,1|1,0,0]=3 373 B8R1.5 O=C1OCCC=C1Br SY058540 [0,1,0,0,0,1|1,0,0]=3 374 B8R1.1 C#CC1=CC=C(C)O1 SY284949 [0,2,0,0,0,0|2,0,0]=4 375 B8R1.1 CC1=CC(CN)=NO1 SY022793 [0,2,0,0,0,0|2,0,0]=4 376 B8R1.1 CC1=CC=C(C=O)N1 SY016074 [0,2,0,0,0,0|2,0,0]=4 377 B8R1.1 CC1=CC=C(C=O)O1 SY001535 [0,2,0,0,0,0|1,0,0]=3 378 B8R1.1 CC1=CC=C(C=O)S1 SY005122 [0,2,0,0,0,0|1,1,0]=4 379 B8R1.1 CC1=CC=C(CO)O1 SY046643 [0,2,0,0,0,0|1,0,1]=4 380 B8R1.1 CC1=CSC(C=O)=C1 SY035937 [0,2,0,0,0,0|1,1,0]=4 381 B8R1.1 CC1=NOC(CBr)=C1 SY036655 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.1 CCC1=CC(O)=NO1 SY248522 [0,2,0,0,0,0|1,0,1]=4 383 B8R1.1 CN1C=CC(C=O)=N1 SY030639 [0,2,0,0,0,0|2,0,0]=4 384 B8R1.1 COC1=CC(N)=NO1 SY006835 [0,2,0,0,0,0|1,0,1]=4 385 B8R1.1 NCC1=CC=C(Br)O1 SY019914 [0,2,0,0,0,0|2,0,0]=4 386 B8R1.1 O=C1C=C(CBr)CO1 SY003604 [0,2,0,0,0,0|1,0,0]=3 387 B8R1.1 O=C1C=CC(CBr)O1 SY247740 [0,2,0,0,0,0|1,0,0]=3 388 B8R1.1 O=CC1=CC(Br)=CN1 SY031830 [0,2,0,0,0,0|2,0,0]=4 389 B8R1.1 O=CC1=CC(Br)=CS1 SY002444 [0,2,0,0,0,0|1,1,0]=4 390 B8R1.1 O=CC1=CC(I)=CN1 SY102993 [0,2,0,0,0,0|2,0,0]=4 391 B8R1.1 O=CC1=CC=C(Br)N1 SY114423 [0,2,0,0,0,0|2,0,0]=4 392 B8R1.1 O=CC1=CC=C(Br)O1 SY008053 [0,2,0,0,0,0|1,0,0]=3 393 B8R1.1 O=CC1=CC=C(Br)S1 SY006056 [0,2,0,0,0,0|1,1,0]=4 394 B8R1.1 O=CC1=CC=C(Cl)N1 SY268296 [0,2,0,0,0,0|2,0,0]=4 395 B8R1.1 O=CC1=CC=C(Cl)O1 SY031372 [0,2,0,0,0,0|1,0,0]=3 396 B8R1.1 O=CC1=CC=C(Cl)S1 SY005588 [0,2,0,0,0,0|1,1,0]=4 397 B8R1.1 O=CC1=CNC(Br)=C1 SY225462 [0,2,0,0,0,0|2,0,0]=4 398 B8R1.1 O=CC1=CNC(I)=C1 SY263118 [0,2,0,0,0,0|2,0,0]=4 399 B8R1.1 O=CC1=CSC(Br)=C1 SY022789 [0,2,0,0,0,0|1,1,0]=4 400 B8R1.1 OCC1=CC=C(Cl)O1 SY251088 [0,2,0,0,0,0|1,0,1]=4 401 B8R1.1 OCC1=CC=C(I)O1 SY264013 [0,2,0,0,0,0|1,0,1]=4 402 B8R1.7 C=C(C)C1=CC=CO1 SY225341 [0,2,0,0,0,0|2,0,0]=4 403 B8R1.7 CC(=O)C1=CC=CN1 SY011279 [0,2,0,0,0,0|2,0,0]=4 404 B8R1.7 CC(=O)C1=COC=N1 SY310747 [0,2,0,0,0,0|2,0,0]=4 405 B8R1.7 CC(=O)C1=CSC=C1 SY009376 [0,2,0,0,0,0|1,1,0]=4 406 B8R1.7 CC(=O)C1=NC=CO1 SY148104 [0,2,0,0,0,0|2,0,0]=4 407 B8R1.7 CC(=O)C1=NNC=C1 SY123629 [0,2,0,0,0,0|2,0,0]=4 408 B8R1.7 CC(=O)C1=NOC=N1 SY291911 [0,2,0,0,0,0|2,0,0]=4 409 B8R1.7 NC(=O)C1=COC=N1 SY026763 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.7 NC(=O)C1=NNC=C1 SY033000 [0,2,0,0,0,0|2,0,0]=4 411 B8R1.7 O=C(O)C1=CC=CN1 SY014890 [0,2,0,0,0,0|2,0,0]=4 412 B8R1.7 O=C(O)C1=CC=CS1 SY001476 [0,2,0,0,0,0|1,1,0]=4 413 B8R1.7 O=C(O)C1=CC=NO1 SY018290 [0,2,0,0,0,0|1,0,0]=3 414 B8R1.7 O=C(O)C1=CC=NS1 SY029089 [0,2,0,0,0,0|1,1,0]=4 415 B8R1.7 O=C(O)C1=CN=CO1 SY026644 [0,2,0,0,0,0|2,0,0]=4 416 B8R1.7 O=C(O)C1=CNC=C1 SY004601 [0,2,0,0,0,0|2,0,0]=4 417 B8R1.7 O=C(O)C1=COC=C1 SY003999 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.7 O=C(O)C1=COC=N1 SY003724 [0,2,0,0,0,0|2,0,0]=4 419 B8R1.7 O=C(O)C1=CON=C1 SY029017 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.7 O=C(O)C1=CSC=C1 SY001582 [0,2,0,0,0,0|1,1,0]=4 421 B8R1.7 O=C(O)C1=NNC=C1 SY002921 [0,2,0,0,0,0|2,0,0]=4 422 B8R1.7 O=C(O)C1=NOC=C1 SY031545 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.7 O=C(O)C1=NOC=N1 SY026689 [0,2,0,0,0,0|2,0,0]=4 424 B8R1.7 O=C(O)C1=NSC=C1 SY059468 [0,2,0,0,0,0|1,1,0]=4 425 B8R1.7 O=[N+]([O-])C1=CNC=C1 SY004596 [0,2,0,0,0,0|2,0,0]=4 426 B8R1.7 O=[N+]([O-])C1=NNC=C1 SY009101 [0,2,0,0,0,0|2,0,0]=4 427 B8R1.7 OB(O)C1=CC=CO1 SY013494 [0,2,0,0,0,0|1,0,1]=4 428 B8R1.7 OB(O)C1=COC=C1 SY001064 [0,2,0,0,0,0|1,0,1]=4 429 B8R1.8 CNCC1=COC=C1 SY014265 [0,2,0,0,0,0|2,0,0]=4 430 B8R1.8 N#CCC1=CC=NO1 SY233661 [0,2,0,0,0,0|2,0,0]=4 431 B8R1.8 NCCC1=CC=CO1 SY021981 [0,2,0,0,0,0|2,0,0]=4 432 B8R1.11 CC1=C(C#N)C=NO1 SY040667 [0,2,0,0,0,0|2,0,0]=4 433 B8R1.11 CC1=C(C=O)NC=C1 SY013401 [0,2,0,0,0,0|2,0,0]=4 434 B8R1.11 CC1=C(CCl)C=NO1 SY197419 [0,2,0,0,0,0|2,0,0]=4 435 B8R1.11 CC1=C(CN)C=NO1 SY035076 [0,2,0,0,0,0|2,0,0]=4 436 B8R1.11 CC1=C(CO)C=CO1 SY026412 [0,2,0,0,0,0|1,0,1]=4 437 B8R1.11 CC1=C(CO)ON=C1 SY226579 [0,2,0,0,0,0|1,0,1]=4 438 B8R1.11 CC1=NON=C1C=O SY162027 [0,2,0,0,0,0|2,0,0]=4 439 B8R1.11 CN1N=CC=C1C=O SY017963 [0,2,0,0,0,0|2,0,0]=4 440 B8R1.11 N#CC1=C(N)ON=C1 SY029358 [0,2,0,0,0,0|2,0,0]=4 441 B8R1.11 O=CC1=C(Br)C=CS1 SY019172 [0,2,0,0,0,0|1,1,0]=4 442 B8R1.11 O=CC1=C(Br)OC=C1 SY283147 [0,2,0,0,0,0|1,0,0]=3 443 B8R1.11 O=CC1=C(Br)SC=C1 SY106739 [0,2,0,0,0,0|1,1,0]=4 444 B8R1.11 O=CC1=C(Cl)C=CN1 SY048118 [0,2,0,0,0,0|2,0,0]=4 445 B8R1.11 O=CC1=C(Cl)C=CO1 SY236778 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.11 O=CC1=C(I)C=NN1 SY278584 [0,2,0,0,0,0|2,0,0]=4 447 B8R1.11 O=CC1=CSC=C1Br SY041243 [0,2,0,0,0,0|1,1,0]=4 448 B8R1.18 C=C1CC(=O)OC1=O SY009111 [0,2,0,0,0,0|1,0,1]=4 449 B8R1.18 CC1=C(C)OC(=O)O1 SY021193 [0,2,0,0,0,0|2,0,0]=4 450 B8R1.18 CC1=CC(=O)OC1O SY104829 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.18 CC1=CC(O)OC1=O SY219275 [0,2,0,0,0,0|1,0,0]=3 452 B8R1.18 O=C1C=C(Br)C(=O)N1 SY264831 [0,2,0,0,0,0|2,0,0]=4 453 B8R1.18 O=C1C=C(Br)C(=O)O1 SY009792 [0,2,0,0,0,0|1,0,0]=3 454 B8R1.50 CC1=C(C)C(N)=NO1 SY018148 [0,2,0,0,0,0|2,0,0]=4 455 B8R1.50 CC1=NOC(C)=C1Br SY018309 [0,2,0,0,0,0|2,0,0]=4 456 B8R1.50 CC1=NOC(C)=C1I SY004304 [0,2,0,0,0,0|2,0,0]=4 457 B8R1.50 CC1=NOC(C)=C1N SY109596 [0,2,0,0,0,0|2,0,0]=4 458 B8R1.50 CN1C(=O)C=CC1=O SY049546 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.19 CC1(C)CC=CC1=O SY262050 [0,2,0,0,0,0|2,0,0]=4 460 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [0,0,1,1,0,0|0,0,2]=4 461 B4R1.2 O=C1CC1 SY037762 [0,0,0,0,2,0|0,0,2]=4 462 B8R1.22 O=C1C=CCCCC1 SY041083 [0,0,0,0,0,2|2,0,0]=4