0 B7R1.1 BrCC1=CSC=N1 DY583383 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 BrCC1=NC=CS1 NO12090 [0,0,0,0,0,0|2,1,1]=4 2 B7R1.1 C#CC1=NC=CS1 DY506861 [0,0,0,0,0,0|2,1,1]=4 3 B7R1.1 C=CN1C=CN=C1 DY20497 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.1 CCC1=NC=CN1 NO21533 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 CCN1C=CC=N1 NO20681 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 CNC1=CC=CS1 DY786838 [0,0,0,0,0,0|2,1,0]=3 7 B7R1.1 CNC1=NNC=C1 DY555147 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.1 COC1=CC=CO1 DY759896 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.1 COC1=CNC=N1 DY725797 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 COC1=CSC=C1 NO22351 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 COC1=NC=CS1 NO22597 [0,0,0,0,0,0|3,1,0]=4 12 B7R1.1 CSC1=NC=CO1 NO17723 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 ClCC1=CC=CO1 NO13429 [0,0,0,0,0,0|1,0,1]=2 14 B7R1.1 ClCC1=CN=CO1 DY114644 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.1 ClCC1=CN=CS1 NO16156 [0,0,0,0,0,0|2,1,1]=4 16 B7R1.1 ClCC1=CSC=N1 DY571191 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.1 ClCC1=CSC=N1 DY586637 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 ClCC1=NC=CN1 NO20896 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 ClCN1C=CC=N1 DY644922 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.1 N#CC1=CC=CS1 NO22701 [0,0,0,0,0,0|1,1,1]=3 21 B7R1.1 N#CC1=CC=NO1 NO17495 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.1 N#CC1=CN=CS1 NO12489 [0,0,0,0,0,0|2,1,1]=4 23 B7R1.1 N#CC1=CNC=C1 DY568533 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 N#CC1=CNC=N1 NO20707 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 N#CC1=COC=N1 NO18363 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 N#CC1=CSC=C1 NO17418 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 N#CC1=NC=CS1 NO12219 [0,0,0,0,0,0|2,1,1]=4 28 B7R1.1 N#CC1=NNC=C1 NO20722 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.1 NCC1=CC=CN1 NO14874 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.1 NCC1=CC=CS1 NO22783 [0,0,0,0,0,0|1,1,1]=3 31 B7R1.1 NCC1=CN=CO1 NO17502 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.1 NCC1=CN=CO1 NO18508 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.1 NCC1=CN=CS1 DY517137 [0,0,0,0,0,0|2,1,1]=4 34 B7R1.1 NCC1=CNC=N1 NO15263 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.1 NCC1=CNC=N1 NO16828 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.1 NCC1=CSC=C1 NO22417 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.1 NCC1=CSC=N1 DY116268 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.1 NCC1=NC=CO1 DY773829 [0,0,0,0,0,0|2,0,1]=3 39 B7R1.1 NCC1=NC=CS1 DY560307 [0,0,0,0,0,0|2,1,1]=4 40 B7R1.1 NCC1=NN=CO1 DY103312 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.1 NCC1=NNC=C1 NO15493 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.1 NNC1=NC=CS1 DY785464 [0,0,0,0,0,0|3,1,0]=4 43 B7R1.1 O=CC1=CC=CN1 NO17764 [0,0,0,0,0,0|1,0,0]=1 44 B7R1.1 O=CC1=CC=CS1 NO16400 [0,0,0,0,0,0|0,1,0]=1 45 B7R1.1 O=CC1=CCCC1 NO12865 [0,0,0,0,0,0|1,0,2]=3 46 B7R1.1 O=CC1=CN=CS1 NO15582 [0,0,0,0,0,0|1,1,0]=2 47 B7R1.1 O=CC1=CNC=C1 NO20728 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.1 O=CC1=CNC=N1 NO14113 [0,0,0,0,0,0|2,0,0]=2 49 B7R1.1 O=CC1=CNN=C1 NO17644 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.1 O=CC1=CNN=C1 NO18258 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.1 O=CC1=CSC=C1 NO14553 [0,0,0,0,0,0|2,0,0]=2 52 B7R1.1 O=CC1=NC=CN1 NO15723 [0,0,0,0,0,0|2,0,0]=2 53 B7R1.1 O=CC1=NC=CO1 DY565689 [0,0,0,0,0,0|1,0,0]=1 54 B7R1.1 O=CC1=NNC=C1 NO18284 [0,0,0,0,0,0|2,0,0]=2 55 B7R1.1 OCC1=CC=NO1 NO15343 [0,0,0,0,0,0|1,0,2]=3 56 B7R1.1 OCC1=CN=CS1 NO16191 [0,0,0,0,0,0|1,1,2]=4 57 B7R1.1 OCC1=COC=C1 NO22303 [0,0,0,0,0,0|2,0,2]=4 58 B7R1.1 OCC1=CSC=C1 NO18039 [0,0,0,0,0,0|2,0,2]=4 59 B7R1.1 OCC1=CSC=N1 NO22892 [0,0,0,0,0,0|2,0,2]=4 60 B7R1.1 OCN1C=CC=N1 NO11902 [0,0,0,0,0,0|2,0,2]=4 61 B6R1.2 BrC1=CC=CS1 NO21414 [1,0,0,0,0,0|1,1,0]=3 62 B6R1.2 BrC1=CC=C[Se]1 DY114898 [1,0,0,0,0,0|1,1,0]=3 63 B6R1.2 BrC1=CC=NN1 NO17757 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 BrC1=CN=CS1 NO14114 [1,0,0,0,0,0|2,1,0]=4 65 B6R1.2 BrC1=CNC=N1 NO14270 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 BrC1=COC=C1 NO19877 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 BrC1=CSC=C1 NO21415 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 BrC1=CSC=N1 DY20197 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 BrC1=NC=CN1 NO19858 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 BrC1=NC=CS1 NO14242 [1,0,0,0,0,0|2,1,0]=4 71 B6R1.2 BrC1=NNC=C1 NO19717 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 BrC1=NOC=C1 DY113742 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 BrC1=NSC=C1 NO11529 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 CC1=CC=CN1 NO21660 [1,0,0,0,0,0|1,0,1]=3 75 B6R1.2 CC1=CC=CS1 NO21701 [1,0,0,0,0,0|0,1,1]=3 76 B6R1.2 CC1=CC=NN1 DY21108 [1,0,0,0,0,0|2,0,1]=4 77 B6R1.2 CC1=CN=CS1 NO10460 [1,0,0,0,0,0|1,1,1]=4 78 B6R1.2 CC1=CNC=C1 DY20689 [1,0,0,0,0,0|2,0,1]=4 79 B6R1.2 CC1=CNC=N1 DY20397 [1,0,0,0,0,0|2,0,1]=4 80 B6R1.2 CC1=CSC=N1 NO15621 [1,0,0,0,0,0|2,0,1]=4 81 B6R1.2 CC1=NC=CN1 DY562149 [1,0,0,0,0,0|2,0,1]=4 82 B6R1.2 CC1=NC=CN1 DY567567 [1,0,0,0,0,0|2,0,1]=4 83 B6R1.2 CC1=NC=CS1 NO22598 [1,0,0,0,0,0|1,1,1]=4 84 B6R1.2 CC1=NN=CO1 NO12863 [1,0,0,0,0,0|2,0,1]=4 85 B6R1.2 CC1=NNC=C1 NO13720 [1,0,0,0,0,0|2,0,1]=4 86 B6R1.2 CC1=NOC=C1 NO11533 [1,0,0,0,0,0|2,0,1]=4 87 B6R1.2 CN1C=CC=C1 NO20770 [1,0,0,0,0,0|2,0,1]=4 88 B6R1.2 CN1C=CC=N1 NO19419 [1,0,0,0,0,0|2,0,1]=4 89 B6R1.2 ClC1=CN=CN1 NO10347 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 ClC1=CN=CS1 DY460404 [1,0,0,0,0,0|2,1,0]=4 91 B6R1.2 ClC1=CSC=N1 NO14317 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 IC1=CC=CS1 NO21616 [1,0,0,0,0,0|1,1,0]=3 93 B6R1.2 IC1=CNC=N1 NO14306 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 IC1=CSC=C1 NO22332 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 IC1=NC=CN1 NO21881 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 IC1=NNC=C1 NO13669 [1,0,0,0,0,0|3,0,0]=4 97 B6R1.2 NC1=CC=NO1 DY459948 [1,0,0,0,0,0|2,0,0]=3 98 B6R1.2 NC1=CC=NS1 DY20989 [1,0,0,0,0,0|2,1,0]=4 99 B6R1.2 NC1=CNC=N1 DY506688 [1,0,0,0,0,0|3,0,0]=4 100 B6R1.2 NC1=CNC=N1 NO16117 [1,0,0,0,0,0|3,0,0]=4 101 B6R1.2 NC1=COC=N1 DY121309 [1,0,0,0,0,0|3,0,0]=4 102 B6R1.2 NC1=CSC=C1 NO12280 [1,0,0,0,0,0|3,0,0]=4 103 B6R1.2 NC1=NC=CN1 NO13716 [1,0,0,0,0,0|3,0,0]=4 104 B6R1.2 NC1=NC=CO1 NO19070 [1,0,0,0,0,0|2,0,0]=3 105 B6R1.2 NC1=NC=CS1 NO16381 [1,0,0,0,0,0|2,1,0]=4 106 B6R1.2 NC1=NNC=C1 DY645486 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 NC1=NNC=C1 NO22527 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 NC1=NOC=C1 NO14368 [1,0,0,0,0,0|3,0,0]=4 109 B6R1.2 NN1C=CC=C1 DY10332 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 O=C1CC=NN1 NO20496 [1,0,0,0,0,0|2,0,1]=4 111 B6R1.2 O=C1N=CCO1 DY565077 [1,0,0,0,0,0|1,0,1]=3 112 B6R1.2 OC1=NC=CS1 NO12100 [1,0,0,0,0,0|1,1,1]=4 113 B6R1.2 ON1C=CC=N1 NO12818 [1,0,0,0,0,0|2,0,1]=4 114 B6R1.2 SC1=NC=CS1 DY573237 [1,0,0,0,0,0|1,2,0]=4 115 B8R1.1 C=CC1=NC(Br)=CS1 DY785674 [0,1,0,0,0,0|2,1,0]=4 116 B8R1.1 CC1=CC(C=O)=CS1 DY443650 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.1 CC1=CC=C(C#N)N1 NO16878 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.1 CC1=CC=C(C=O)N1 NO10436 [0,1,0,0,0,0|1,0,0]=2 119 B8R1.1 CC1=CC=C(C=O)S1 DY20284 [0,1,0,0,0,0|0,1,0]=2 120 B8R1.1 CC1=CNC(CO)=C1 DY717969 [0,1,0,0,0,0|1,0,2]=4 121 B8R1.1 CC1=NC(C=O)=CN1 DY584489 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.1 CC1=NC(C=O)=NO1 DY505473 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 CC1=NC=C(C=O)O1 DY773127 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.1 CC1=NC=C(C=O)S1 DY21171 [0,1,0,0,0,0|1,1,0]=3 125 B8R1.1 CC1=NSC(C=O)=C1 DY116147 [0,1,0,0,0,0|1,1,0]=3 126 B8R1.1 CCC1=CC(C)=CS1 DY447443 [0,1,0,0,0,0|1,1,1]=4 127 B8R1.1 CN1C=C(C=O)C=N1 NO18189 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.1 CN1C=CC(C=O)=N1 NO18204 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.1 CN1C=NC(C=O)=N1 DY769773 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.1 COC1=CC(N)=NO1 NO18977 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 ClCC1=CC=C(Cl)S1 NO17500 [0,1,0,0,0,0|1,1,1]=4 132 B8R1.1 N#CC1=CC=C(Br)S1 NO10307 [0,1,0,0,0,0|1,1,1]=4 133 B8R1.1 NC1=NC=C(C=O)S1 NO21279 [0,1,0,0,0,0|1,1,0]=3 134 B8R1.1 NCC1=CC=C(Br)O1 DY432586 [0,1,0,0,0,0|1,0,1]=3 135 B8R1.1 NCC1=CC=C(Br)O1 DY759704 [0,1,0,0,0,0|1,0,1]=3 136 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,1,0,0,0,0|0,0,3]=4 137 B8R1.1 O=CC1=CC(=O)NO1 DY774147 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.1 O=CC1=CC(Br)=CN1 NO14432 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.1 O=CC1=CC(Br)=CO1 NO22678 [0,1,0,0,0,0|0,0,0]=1 140 B8R1.1 O=CC1=CC(Br)=CS1 NO22689 [0,1,0,0,0,0|0,1,0]=2 141 B8R1.1 O=CC1=CC(I)=CN1 DY549363 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.1 O=CC1=CC(I)=CS1 NO16582 [0,1,0,0,0,0|0,1,0]=2 143 B8R1.1 O=CC1=CC=C(Br)S1 NO18323 [0,1,0,0,0,0|0,1,0]=2 144 B8R1.1 O=CC1=CC=C(Cl)N1 DY718245 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.1 O=CC1=CN=C(Cl)S1 DY459696 [0,1,0,0,0,0|1,1,0]=3 146 B8R1.1 O=CC1=CSC(Br)=N1 NO15326 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.1 O=CC1=NC(Br)=CS1 NO13190 [0,1,0,0,0,0|1,1,0]=3 148 B8R1.1 O=CC1=NNC(Br)=C1 DY558033 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.1 OCC1=CC=C(Br)O1 NO15423 [0,1,0,0,0,0|0,0,2]=3 150 B8R1.1 OCC1=CN=C(Br)O1 DY772959 [0,1,0,0,0,0|1,0,2]=4 151 B8R1.7 CC(=O)C1=CC=CO1 NO18634 [0,1,0,0,0,0|0,0,0]=1 152 B8R1.7 CC(=O)C1=CC=CS1 NO19387 [0,1,0,0,0,0|0,1,0]=2 153 B8R1.7 CC(=O)C1=CC=NO1 NO15344 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.7 CC(=O)C1=CNC=N1 NO20378 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.7 CC(=O)C1=CSC=N1 NO13244 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.7 CC(=O)C1=NC=CO1 NO20443 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.7 CC(=O)C1=NC=CS1 NO22755 [0,1,0,0,0,0|1,1,0]=3 158 B8R1.7 CC(=O)C1=NNC=C1 NO13441 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.7 CC(=O)C1=NOC=C1 DY116141 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.7 CC(N)C1=CC=CN1 DY717705 [0,1,0,0,0,0|2,0,1]=4 161 B8R1.7 CC(N)C1=CC=CS1 DY585951 [0,1,0,0,0,0|1,1,1]=4 162 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [0,1,0,0,0,0|0,0,2]=3 163 B8R1.7 C[C@@H](O)C1=CC=CS1 DY621687 [0,1,0,0,0,0|0,1,2]=4 164 B8R1.7 N=C(N)C1=CC=CO1 DY609169 [0,1,0,0,0,0|1,0,0]=2 165 B8R1.7 N=C(N)C1=NC=CS1 NO15638 [0,1,0,0,0,0|2,1,0]=4 166 B8R1.7 N=C(N)N1C=CC=N1 DY735319 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.7 N=C(N)N1C=CC=N1 NO20721 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.7 NC(=O)C1=CC=NO1 DY773817 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.7 NC(=O)C1=CN=CS1 DY785098 [0,1,0,0,0,0|1,1,0]=3 170 B8R1.7 NC(=O)C1=NC=CN1 NO15603 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.7 NC(=O)C1=NNC=C1 NO12173 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.7 NC(=O)C1CC=CC1 NO11184 [0,1,0,0,0,0|1,0,2]=4 173 B8R1.7 NC(=S)C1=NC=CS1 DY796833 [0,1,0,0,0,0|1,2,0]=4 174 B8R1.7 O=C(Cl)C1=CSC=C1 DY786748 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.7 O=C(O)C1=CC=CN1 NO17766 [0,1,0,0,0,0|1,0,0]=2 176 B8R1.7 O=C(O)C1=CC=CO1 NO16202 [0,1,0,0,0,0|0,0,0]=1 177 B8R1.7 O=C(O)C1=CC=NO1 NO15566 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.7 O=C(O)C1=CN=CS1 NO15551 [0,1,0,0,0,0|1,1,0]=3 179 B8R1.7 O=C(O)C1=CNC=C1 NO16294 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.7 O=C(O)C1=CNC=N1 NO19657 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.7 O=C(O)C1=CNN=C1 NO19027 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.7 O=C(O)C1=CNN=N1 NO20475 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.7 O=C(O)C1=COC=C1 NO14540 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.7 O=C(O)C1=CSC=C1 NO22727 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.7 O=C(O)C1=CSC=N1 NO10126 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.7 O=C(O)C1=CSN=C1 NO22713 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.7 O=C(O)C1=NC=CN1 NO19852 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.7 O=C(O)C1=NC=CS1 DY425486 [0,1,0,0,0,0|1,1,0]=3 189 B8R1.7 O=C(O)C1=NN=CC1 DY585442 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.7 O=C(O)C1=NNC=C1 NO18779 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.7 O=C(O)C1=NOC=C1 NO18235 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.7 O=C(O)C1=NON=C1 NO20479 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.7 O=C(O)C1=NSC=C1 DY113170 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.7 O=C(O)C1C=CCN1 DY436935 [0,1,0,0,0,0|1,0,2]=4 195 B8R1.7 O=C(O)C1C=CCO1 DY788385 [0,1,0,0,0,0|0,0,2]=3 196 B8R1.7 O=[N+]([O-])C1=CC=CN1 NO13256 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.7 O=[N+]([O-])C1=CC=NN1 NO19890 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.7 O=[N+]([O-])C1=CN=CN1 NO22016 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.7 O=[N+]([O-])C1=CNC=C1 NO22386 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.7 O=[N+]([O-])C1=NC=CN1 NO14315 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.7 OB(O)C1=CC=CO1 NO22587 [0,1,0,0,0,0|1,0,1]=3 202 B8R1.7 OB(O)C1=CC=CS1 NO22584 [0,1,0,0,0,0|1,1,1]=4 203 B8R1.8 CSCC1=CC=CO1 DY523785 [0,1,0,0,0,0|0,1,1]=3 204 B8R1.8 N#CCC1=CC=CS1 NO22998 [0,1,0,0,0,0|1,1,1]=4 205 B8R1.8 NCCC1=CC=CN1 DY717219 [0,1,0,0,0,0|2,0,1]=4 206 B8R1.8 NNCC1=CC=CS1 DY607641 [0,1,0,0,0,0|1,1,1]=4 207 B8R1.8 O=CCC1=CC=CS1 NO17423 [0,1,0,0,0,0|0,1,0]=2 208 B8R1.8 OCCC1=CC=CS1 NO14939 [0,1,0,0,0,0|0,1,2]=4 209 B8R1.8 O\N=C\C1=CSC=C1 DY554289 [0,1,0,0,0,0|2,0,1]=4 210 B8R1.11 C=CC1=C(C)N=CS1 DY531999 [0,1,0,0,0,0|2,1,0]=4 211 B8R1.11 CC1=C(C=O)C=CO1 DY759980 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.11 CC1=C(CN)SC=C1 DY609391 [0,1,0,0,0,0|1,1,1]=4 213 B8R1.11 CC1=CSC=C1C=O DY570849 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.11 CC1=NNC=C1C=O NO22355 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.11 CN1C=CC=C1CN DY717975 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.11 CN1C=CN=C1C=O NO17882 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.11 CN1N=CC=C1C=O NO18205 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.11 CSC1=C(Br)C=CS1 DY452122 [0,1,0,0,0,0|2,1,0]=4 219 B8R1.11 N#CC1=C(Br)C=CS1 NO22192 [0,1,0,0,0,0|1,1,1]=4 220 B8R1.11 N#CC1=C(N)C=CS1 DY786832 [0,1,0,0,0,0|1,1,1]=4 221 B8R1.11 NC1=C(C=O)SC=C1 NO14842 [0,1,0,0,0,0|0,1,0]=2 222 B8R1.11 O=CC1=C(Br)C=CS1 NO17288 [0,1,0,0,0,0|0,1,0]=2 223 B8R1.11 O=CC1=C(Br)N=CS1 NO15329 [0,1,0,0,0,0|1,1,0]=3 224 B8R1.11 O=CC1=C(Cl)N=CS1 NO22797 [0,1,0,0,0,0|1,1,0]=3 225 B8R1.11 O=CC1=C(F)C=CS1 DY429390 [0,1,0,0,0,0|0,1,0]=2 226 B8R1.11 O=CC1=CSC=C1Br DY441264 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.11 O=CC1=NNC=C1Br DY546495 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.11 OCC1=C(Cl)C=CS1 DY536271 [0,1,0,0,0,0|0,1,2]=4 229 B8R1.2 BrCC1=CC=CN=N1 NO15758 [0,0,0,0,0,1|2,0,1]=4 230 B8R1.2 BrCC1=CC=NC=C1 NO22459 [0,0,0,0,0,1|2,0,1]=4 231 B8R1.2 BrCC1=NC=CN=C1 DY710893 [0,0,0,0,0,1|2,0,1]=4 232 B8R1.2 C#CC1=CC=CC=C1 NO19127 [0,0,0,0,0,1|2,0,1]=4 233 B8R1.2 C#CC1=CC=CN=N1 DY102367 [0,0,0,0,0,1|2,0,1]=4 234 B8R1.2 C#CC1=CC=NC=C1 DY544323 [0,0,0,0,0,1|2,0,1]=4 235 B8R1.2 C#CC1=NC=CC=C1 NO21539 [0,0,0,0,0,1|2,0,1]=4 236 B8R1.2 C#CC1=NC=CC=N1 NO12611 [0,0,0,0,0,1|2,0,1]=4 237 B8R1.2 C=CC1=CC=CN=C1 DY507011 [0,0,0,0,0,1|2,0,0]=3 238 B8R1.2 CCC1=CC=CN=C1 NO22277 [0,0,0,0,0,1|2,0,1]=4 239 B8R1.2 CCC1=NC=CN=C1 NO21534 [0,0,0,0,0,1|2,0,1]=4 240 B8R1.2 CNC1=CC=CC=C1 NO11792 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.2 CNC1=CC=CN=C1 NO13856 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.2 COC1=CC=CN=C1 NO22348 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.2 COC1=CC=CN=N1 NO22347 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.2 COC1=CC=NC=C1 NO19206 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.2 COC1=CC=[C-]C=C1 DY747109 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.2 COC1=NC=CC=C1 NO18780 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.2 COC1=NC=CN=C1 NO17887 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.2 CSC1=NC=CC=N1 DY573207 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.2 CSC1=NC=CN=C1 DY541389 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.2 ClCC1=CC=CN=C1 NO19291 [0,0,0,0,0,1|2,0,1]=4 251 B8R1.2 ClCC1=CC=CN=N1 NO16004 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.2 ClCC1=NC=CC=C1 NO19289 [0,0,0,0,0,1|2,0,1]=4 253 B8R1.2 ClCC1=NC=CC=N1 NO20902 [0,0,0,0,0,1|2,0,1]=4 254 B8R1.2 ClSC1=CC=CC=C1 DY799077 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.2 ICC1=CC=CC=C1 NO11000 [0,0,0,0,0,1|2,0,1]=4 256 B8R1.2 N#CC1=CN=CC=C1 NO22263 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.2 N#CC1=NC=CC=C1 NO19642 [0,0,0,0,0,1|2,0,1]=4 258 B8R1.2 N#CC1=NC=CC=N1 NO17385 [0,0,0,0,0,1|2,0,1]=4 259 B8R1.2 N#CC1=NC=CN=C1 NO17380 [0,0,0,0,0,1|2,0,1]=4 260 B8R1.2 N#CC1=NC=NC=C1 NO12430 [0,0,0,0,0,1|2,0,1]=4 261 B8R1.2 N#Cc1ccccc1 NO13696 [0,0,0,0,0,1|2,0,1]=4 262 B8R1.2 NCC1=CC=CN=C1 NO14226 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.2 NCC1=CC=NC=C1 NO11906 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.2 NCC1=CC=NC=C1 NO19023 [0,0,0,0,0,1|2,0,1]=4 265 B8R1.2 NCC1=NC=CC=C1 DY663911 [0,0,0,0,0,1|2,0,1]=4 266 B8R1.2 NCC1=NC=CC=N1 NO21304 [0,0,0,0,0,1|2,0,1]=4 267 B8R1.2 NCC1=NC=CN=C1 DY710323 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.2 NCC1=NC=CN=C1 NO19691 [0,0,0,0,0,1|2,0,1]=4 269 B8R1.2 NCC1=NC=CN=C1 NO20245 [0,0,0,0,0,1|2,0,1]=4 270 B8R1.2 NNC1=CC=CC=C1 NO15210 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.2 NNC1=CC=CN=C1 NO15491 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.2 NNC1=CC=CN=C1 NO22308 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.2 NNC1=CC=NC=C1 DY20777 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.2 NNC1=NC=CC=C1 NO15589 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.2 NNC1=NC=CC=C1 NO21573 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.2 O=CC1=CC=NC=C1 DY458075 [0,0,0,0,0,1|1,0,0]=2 277 B8R1.2 O=CC1=CCCOC1 NO10171 [0,0,0,0,0,1|0,0,2]=3 278 B8R1.2 O=CC1=CN=CC=C1 NO19090 [0,0,0,0,0,1|1,0,0]=2 279 B8R1.2 O=CC1=CN=CN=C1 NO19643 [0,0,0,0,0,1|2,0,0]=3 280 B8R1.2 O=CC1=NC=CC=C1 NO18610 [0,0,0,0,0,1|1,0,0]=2 281 B8R1.2 O=CC1=NC=CN=C1 NO18375 [0,0,0,0,0,1|1,0,0]=2 282 B8R1.2 OCC1=CC=CN=C1 NO22409 [0,0,0,0,0,1|1,0,2]=4 283 B8R1.2 OCC1=CC=CN=N1 NO21870 [0,0,0,0,0,1|1,0,2]=4 284 B8R1.2 OCC1=CC=NC=C1 NO19163 [0,0,0,0,0,1|1,0,2]=4 285 B8R1.2 OCC1=NC=CC=C1 NO19164 [0,0,0,0,0,1|1,0,2]=4 286 B8R1.2 OCC1=NC=CC=N1 NO19924 [0,0,0,0,0,1|1,0,2]=4 287 B8R1.2 OCC1=NC=CN=C1 NO21749 [0,0,0,0,0,1|1,0,2]=4 288 B8R1.2 OCC1=NC=NC=C1 NO11915 [0,0,0,0,0,1|1,0,2]=4 289 B5R0.1 C\C=C\C(=O)O DY41882 [1,0,1,0,0,0|0,0,1]=3 290 B5R0.1 N\C=C\C(N)=O DY741355 [1,0,1,0,0,0|2,0,0]=4 291 B5R1.1 C1=CNC=C1 DY20798 [2,0,0,0,0,0|1,0,0]=3 292 B5R1.1 C1=CNC=N1 DY725677 [2,0,0,0,0,0|2,0,0]=4 293 B5R1.1 C1=CNC=N1 NO19767 [2,0,0,0,0,0|2,0,0]=4 294 B5R1.1 C1=CNN=C1 NO18933 [2,0,0,0,0,0|2,0,0]=4 295 B5R1.1 C1=COC=N1 DY546507 [2,0,0,0,0,0|1,0,0]=3 296 B5R1.1 C1=CON=C1 DY20462 [2,0,0,0,0,0|1,0,0]=3 297 B5R1.1 C1=CSN=C1 DY20995 [2,0,0,0,0,0|1,1,0]=4 298 B5R1.1 C1=C[CH-]C=C1 DY21078 [2,0,0,0,0,0|1,0,0]=3 299 B7R0.4 C\C=C\C=C\C(=O)[O-] NO11961 [0,1,1,0,0,0|1,0,0]=3 300 B7R1.2 BrC1=CC=C(Br)S1 NO22553 [1,1,0,0,0,0|1,1,0]=4 301 B7R1.2 CC1=CC(=O)CC1 NO22356 [1,1,0,0,0,0|1,0,1]=4 302 B7R1.2 CC1=CC(=O)NN1 NO22601 [1,1,0,0,0,0|2,0,0]=4 303 B7R1.2 CC1=CC(Br)=CS1 NO22736 [1,1,0,0,0,0|0,1,1]=4 304 B7R1.2 CC1=CC(Br)=NO1 DY113406 [1,1,0,0,0,0|1,0,1]=4 305 B7R1.2 CC1=CC(C)=NO1 NO14107 [1,1,0,0,0,0|1,0,1]=4 306 B7R1.2 CC1=CC(N)=CS1 DY786994 [1,1,0,0,0,0|0,1,1]=4 307 B7R1.2 CC1=CC=C(Br)O1 DY513585 [1,1,0,0,0,0|0,0,1]=3 308 B7R1.2 CC1=CC=C(Br)S1 NO22735 [1,1,0,0,0,0|0,1,1]=4 309 B7R1.2 CC1=CC=C(C)N1 NO21153 [1,1,0,0,0,0|1,0,1]=4 310 B7R1.2 CC1=CC=C(Cl)S1 DY451354 [1,1,0,0,0,0|0,1,1]=4 311 B7R1.2 CC1=CC=C(I)S1 DY530097 [1,1,0,0,0,0|0,1,1]=4 312 B7R1.2 CC1=CC=C(N)S1 DY787300 [1,1,0,0,0,0|0,1,1]=4 313 B7R1.2 CC1=CC=C(N)S1 DY787384 [1,1,0,0,0,0|0,1,1]=4 314 B7R1.2 CC1=CCC(=O)O1 DY562161 [1,1,0,0,0,0|0,0,1]=3 315 B7R1.2 CC1=COC(C)=N1 DY568869 [1,1,0,0,0,0|1,0,1]=4 316 B7R1.2 CC1=NC(N)=CO1 DY773883 [1,1,0,0,0,0|1,0,1]=4 317 B7R1.2 CC1=NCC(=O)O1 DY774159 [1,1,0,0,0,0|1,0,1]=4 318 B7R1.2 CC1=NNC(=O)O1 NO10427 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.2 CC1=NOC(Br)=C1 DY773601 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.2 CC1=NOC(N)=C1 NO16239 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.2 C[N+]1=CC(=O)O[N-]1 DY567615 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.2 ClC1=CC=C(Cl)S1 DY548247 [1,1,0,0,0,0|1,1,0]=4 323 B7R1.2 IC1=COC(I)=N1 DY503553 [1,1,0,0,0,0|2,0,0]=4 324 B7R1.2 NC1=CC(=O)CS1 DY786970 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.2 NC1=CC(=O)NN1 NO13152 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.2 NC1=CC(Br)=CN1 DY717897 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.2 NC1=CSC(Cl)=C1 DY104600 [1,1,0,0,0,0|1,1,0]=4 328 B7R1.2 NC1=NC=C(Br)O1 DY522675 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.2 O=C1C=CC(=O)O1 DY743137 [1,1,0,0,0,0|0,0,0]=2 330 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [1,1,0,0,0,0|1,0,1]=4 331 B7R1.4 BrC1=C(Br)SC=C1 NO22551 [1,1,0,0,0,0|1,1,0]=4 332 B7R1.4 CC1=C(Br)SC=C1 NO13700 [1,1,0,0,0,0|1,1,0]=4 333 B7R1.4 CN1CC=CC1=O DY717447 [1,1,0,0,0,0|1,0,1]=4 334 B7R1.4 ClC1=C(Br)C=CS1 NO22555 [1,1,0,0,0,0|1,1,0]=4 335 B7R1.4 O=C1CCC=C1Br DY504081 [1,1,0,0,0,0|1,0,1]=4 336 B7R1.4 O=C1CCC=C1O NO14654 [1,1,0,0,0,0|1,0,1]=4 337 B7R1.4 O=C1O[Cu]OC1=O DY560313 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.14 O=S1(=O)C=CCO1 NO13255 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.1 C=CC1=CC=C(Cl)N=N1 DY736538 [0,1,0,0,0,1|2,0,0]=4 340 B9R1.1 CC1=CN=C(C=O)C=C1 NO19088 [0,1,0,0,0,1|1,0,0]=3 341 B9R1.1 CC1=CN=C(C=O)C=N1 NO12781 [0,1,0,0,0,1|1,0,0]=3 342 B9R1.1 CC1=NC=C(C=O)C=C1 NO19116 [0,1,0,0,0,1|1,0,0]=3 343 B9R1.1 NC1=CC=C(C=O)C=C1 DY20423 [0,1,0,0,0,1|1,0,0]=3 344 B9R1.1 NC1=NC=C(C=O)C=N1 NO16976 [0,1,0,0,0,1|2,0,0]=4 345 B9R1.1 NC1=NC=C(C=O)C=N1 NO19828 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.1 O=CC1=CC=C(Br)C=C1 NO18612 [0,1,0,0,0,1|1,0,0]=3 347 B9R1.1 O=CC1=CC=C(Cl)C=C1 NO14843 [0,1,0,0,0,1|1,0,0]=3 348 B9R1.1 O=CC1=CC=C(Cl)N=N1 DY444424 [0,1,0,0,0,1|1,0,0]=3 349 B9R1.1 O=CC1=CC=C(F)C=C1 NO19072 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.1 O=CC1=CC=C(I)C=C1 NO20133 [0,1,0,0,0,1|1,0,0]=3 351 B9R1.1 O=CC1=CC=C(O)C=C1 NO18686 [0,1,0,0,0,1|1,0,0]=3 352 B9R1.1 O=CC1=CN=C(Br)C=C1 NO13736 [0,1,0,0,0,1|1,0,0]=3 353 B9R1.1 O=CC1=CN=C(Cl)C=C1 NO13978 [0,1,0,0,0,1|1,0,0]=3 354 B9R1.1 O=CC1=CN=C(Cl)N=C1 NO12216 [0,1,0,0,0,1|2,0,0]=4 355 B9R1.1 O=CC1=CN=C(F)C=C1 NO19261 [0,1,0,0,0,1|1,0,0]=3 356 B9R1.1 O=CC1=CN=C(O)C=C1 NO13494 [0,1,0,0,0,1|1,0,0]=3 357 B9R1.1 O=CC1=CNC(=O)N=C1 DY530349 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.1 O=CC1=NC=C(Cl)C=C1 NO18956 [0,1,0,0,0,1|1,0,0]=3 359 B9R1.1 O=CC1=NC=C(F)C=C1 NO20057 [0,1,0,0,0,1|1,0,0]=3 360 B9R1.1 O=CC1=NC=C(I)C=C1 DY585661 [0,1,0,0,0,1|1,0,0]=3 361 B9R1.1 O=CC1=NC=C(O)C=C1 NO12167 [0,1,0,0,0,1|1,0,0]=3 362 B9R1.2 C=CC1=CN=CC(Br)=C1 DY712159 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.2 CC1=CC(C=O)=NC=C1 NO19123 [0,1,0,0,0,1|1,0,0]=3 364 B9R1.2 CC1=CC=CC(C=O)=C1 DY41127 [0,1,0,0,0,1|1,0,0]=3 365 B9R1.2 CC1=NC=CC(C=O)=C1 NO15441 [0,1,0,0,0,1|1,0,0]=3 366 B9R1.2 CC1=NC=CC(C=O)=N1 NO19715 [0,1,0,0,0,1|1,0,0]=3 367 B9R1.2 NC1=CC(C=O)=CN=C1 DY659426 [0,1,0,0,0,1|1,0,0]=3 368 B9R1.2 NC1=NC=CC(C=O)=C1 NO18505 [0,1,0,0,0,1|1,0,0]=3 369 B9R1.2 O=CC1=CC(Br)=CC=C1 NO18958 [0,1,0,0,0,1|1,0,0]=3 370 B9R1.2 O=CC1=CC(Br)=NC=C1 NO18783 [0,1,0,0,0,1|1,0,0]=3 371 B9R1.2 O=CC1=CC(Cl)=CC=C1 DY20579 [0,1,0,0,0,1|1,0,0]=3 372 B9R1.2 O=CC1=CC(F)=CC=C1 NO22298 [0,1,0,0,0,1|1,0,0]=3 373 B9R1.2 O=CC1=CC(I)=CC=C1 NO20132 [0,1,0,0,0,1|1,0,0]=3 374 B9R1.2 O=CC1=CC(O)=CC=C1 DY20422 [0,1,0,0,0,1|1,0,0]=3 375 B9R1.2 O=CC1=CC=C[N+]([O-])=C1 NO17137 [0,1,0,0,0,1|1,0,0]=3 376 B9R1.2 O=CC1=CN=CC(Br)=C1 DY20791 [0,1,0,0,0,1|1,0,0]=3 377 B9R1.2 O=CC1=CN=CC(F)=C1 NO19040 [0,1,0,0,0,1|1,0,0]=3 378 B9R1.2 O=CC1=CN=CC(O)=C1 NO15599 [0,1,0,0,0,1|1,0,0]=3 379 B9R1.2 O=CC1=NC(=O)NC=C1 DY693592 [0,1,0,0,0,1|1,0,0]=3 380 B9R1.2 O=CC1=NC(Br)=CC=C1 NO22094 [0,1,0,0,0,1|1,0,0]=3 381 B9R1.2 O=CC1=NC(Cl)=CC=C1 NO19944 [0,1,0,0,0,1|1,0,0]=3 382 B9R1.2 O=CC1=NC(F)=CC=C1 NO13928 [0,1,0,0,0,1|1,0,0]=3 383 B9R1.2 O=CC1=NC=CC(Br)=C1 NO12092 [0,1,0,0,0,1|1,0,0]=3 384 B9R1.2 O=CC1=NC=CC(Cl)=C1 NO22794 [0,1,0,0,0,1|1,0,0]=3 385 B9R1.6 CC(=O)C1=CC=CN=C1 NO18256 [0,1,0,0,0,1|1,0,0]=3 386 B9R1.6 CC(=O)C1=CC=NC=C1 NO22535 [0,1,0,0,0,1|1,0,0]=3 387 B9R1.6 CC(=O)C1=NC=CC=C1 NO18611 [0,1,0,0,0,1|1,0,0]=3 388 B9R1.6 CC(=O)C1=NC=CN=C1 NO19346 [0,1,0,0,0,1|1,0,0]=3 389 B9R1.6 CS(=O)C1=CC=CC=C1 DY510356 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.6 CS(=O)C1=NC=CC=N1 DY693106 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.6 C[PH](=O)C1=CC=CC=C1 NO16386 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.6 C[S@@](=O)C1=CC=CC=C1 DY621380 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.6 N=C(N)C1=CC=CC=C1 NO14830 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.6 N=C(N)C1=CN=CC=C1 NO19487 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.6 N=C(N)C1=NC=CC=C1 NO19100 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.6 N=C(N)C1=NC=CC=N1 DY737510 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.6 N=C(N)C1=NC=CC=N1 NO21214 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.6 NC(=O)C1=CC=NC=C1 NO13721 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.6 NC(=O)C1=CN=CC=C1 DY583359 [0,1,0,0,0,1|1,0,0]=3 400 B9R1.6 NC(=O)C1=CN=CN=C1 DY696178 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.6 NC(=O)C1=NC=CC=C1 NO11910 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.6 NC(=O)C1=NC=CN=C1 NO13379 [0,1,0,0,0,1|1,0,0]=3 403 B9R1.6 NC(=S)C1=CC=CN=N1 NO16975 [0,1,0,0,0,1|1,1,0]=4 404 B9R1.6 NC(=S)C1=CC=NC=C1 DY541407 [0,1,0,0,0,1|1,1,0]=4 405 B9R1.6 O=C(Br)C1=CC=CC=C1 DY585100 [0,1,0,0,0,1|1,0,0]=3 406 B9R1.6 O=C(Cl)C1=CC=CC=C1 DY40435 [0,1,0,0,0,1|1,0,0]=3 407 B9R1.6 O=C(Cl)C1=NC=CC=C1 NO11857 [0,1,0,0,0,1|1,0,0]=3 408 B9R1.6 O=C(O)C1=CC=CN=C1 DY41633 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.6 O=C(O)C1=CC=CN=N1 NO19741 [0,1,0,0,0,1|1,0,0]=3 410 B9R1.6 O=C(O)C1=CN=CN=C1 NO17525 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.6 O=C(O)C1=NC=CC=C1 NO13384 [0,1,0,0,0,1|1,0,0]=3 412 B9R1.6 O=C(O)C1=NC=CN=C1 NO17531 [0,1,0,0,0,1|1,0,0]=3 413 B9R1.6 O=C([O-])C1=CC=CC=C1 DY558819 [0,1,0,0,0,1|1,0,0]=3 414 B9R1.6 O=C([O-])C1=NC=CC=C1 DY712843 [0,1,0,0,0,1|1,0,0]=3 415 B9R1.6 O=C([O-])C1=NC=CC=C1 DY714470 [0,1,0,0,0,1|1,0,0]=3 416 B9R1.6 O=S([O-])C1=NC=CC=C1 DY711577 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.6 O=S([O-])C1=NC=CC=N1 DY696185 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 NO22384 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.6 O=[N+]([O-])C1=CC=NC=C1 DY715232 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.6 O=[N+]([O-])C1=NC=CC=C1 DY525843 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.6 O=[N+]([O-])C1=NC=CN=C1 DY710017 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.6 O=[PH](O)C1=CC=CC=C1 DY532299 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.15 C=CC1=C(Br)C=CC=C1 NO18853 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.15 C=CC1=C(Cl)C=CC=C1 NO19873 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.15 CC1=CC=CC=C1C=O NO19114 [0,1,0,0,0,1|1,0,0]=3 426 B9R1.15 CC1=CC=CN=C1C=O NO14987 [0,1,0,0,0,1|1,0,0]=3 427 B9R1.15 NC1=C(C=O)C=CC=C1 DY20756 [0,1,0,0,0,1|1,0,0]=3 428 B9R1.15 NC1=C(C=O)C=CC=N1 NO19340 [0,1,0,0,0,1|1,0,0]=3 429 B9R1.15 NC1=C(C=O)C=CN=C1 NO14976 [0,1,0,0,0,1|1,0,0]=3 430 B9R1.15 NC1=CC=NC=C1C=O DY509936 [0,1,0,0,0,1|1,0,0]=3 431 B9R1.15 NC1=CC=NC=C1C=O NO19349 [0,1,0,0,0,1|1,0,0]=3 432 B9R1.15 NC1=NC=CN=C1C=O NO13122 [0,1,0,0,0,1|1,0,0]=3 433 B9R1.15 O=CC1=C(Br)N=CC=C1 NO17915 [0,1,0,0,0,1|1,0,0]=3 434 B9R1.15 O=CC1=C(Cl)C=NC=C1 DY657198 [0,1,0,0,0,1|1,0,0]=3 435 B9R1.15 O=CC1=C(Cl)C=NC=C1 NO15780 [0,1,0,0,0,1|1,0,0]=3 436 B9R1.15 O=CC1=C(Cl)N=CC=C1 NO14208 [0,1,0,0,0,1|1,0,0]=3 437 B9R1.15 O=CC1=C(F)C=CC=C1 DY794301 [0,1,0,0,0,1|1,0,0]=3 438 B9R1.15 O=CC1=C(F)C=CC=C1 NO21560 [0,1,0,0,0,1|1,0,0]=3 439 B9R1.15 O=CC1=C(F)C=CN=C1 DY577299 [0,1,0,0,0,1|1,0,0]=3 440 B9R1.15 O=CC1=C(F)N=CC=C1 NO18263 [0,1,0,0,0,1|1,0,0]=3 441 B9R1.15 O=CC1=C(I)C=CC=C1 NO20131 [0,1,0,0,0,1|1,0,0]=3 442 B9R1.15 O=CC1=C(O)C=CC=C1 DY41121 [0,1,0,0,0,1|1,0,0]=3 443 B9R1.15 O=CC1=C(O)C=NC=C1 NO13859 [0,1,0,0,0,1|1,0,0]=3 444 B9R1.15 O=CC1=C(O)N=CC=C1 NO19011 [0,1,0,0,0,1|1,0,0]=3 445 B9R1.15 O=CC1=CNC=CC1=O NO17898 [0,1,0,0,0,1|1,0,0]=3 446 B9R1.7 C=CCC1=CC=C(Cl)S1 DY787408 [0,2,0,0,0,0|1,1,0]=4 447 B9R1.21 CCC1=CC(C=O)=NO1 DY105910 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.21 CCC1=CSC(C=O)=N1 DY540045 [0,2,0,0,0,0|1,1,0]=4 449 B9R1.21 CCC1=NC=C(C=O)S1 NO15904 [0,2,0,0,0,0|1,1,0]=4 450 B9R1.21 CCN1C=NC(C=O)=C1 DY611602 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.21 COC1=CC(C=O)=CS1 DY571833 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.21 N#CC1=CC=C(C=O)S1 NO10362 [0,2,0,0,0,0|0,1,0]=3 453 B9R1.21 NCC1=CC=C(CO)O1 DY577929 [0,2,0,0,0,0|0,0,2]=4 454 B9R1.21 O=CC1=CC=C(C=O)O1 DY20959 [0,2,0,0,0,0|0,0,0]=2 455 B9R1.21 O=CC1=CC=C(CO)N1 NO16660 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.21 O=CC1=CC=C(CO)O1 NO15585 [0,2,0,0,0,0|0,0,0]=2 457 B9R1.21 O=CC1=CSC(C=O)=C1 NO17580 [0,2,0,0,0,0|0,1,0]=3 458 B9R1.21 OCC1=CC=C(CO)O1 NO10151 [0,2,0,0,0,0|0,0,2]=4 459 B9R1.22 CC1=C(C=O)N=C(Br)O1 DY773553 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.22 CC1=C(C=O)N=C(Cl)S1 DY785620 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.22 CC1=NC(C=O)=C(Br)S1 DY785440 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.22 CC1=NN(C)C(C=O)=C1 DY21034 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 NO16290 [0,2,0,0,0,0|1,1,0]=4 464 B9R1.23 CC1=CC(C=O)=NN1C DY544245 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.35 CC(=O)C1=CC(Br)=CS1 NO20414 [0,2,0,0,0,0|0,1,0]=3 466 B9R1.35 CC(=O)C1=CC(C)=NS1 DY106270 [0,2,0,0,0,0|1,1,0]=4 467 B9R1.35 CC(=O)C1=CC(Cl)=CS1 NO21207 [0,2,0,0,0,0|0,1,0]=3 468 B9R1.35 CC(=O)C1=CC=C(Br)O1 NO20429 [0,2,0,0,0,0|0,0,0]=2 469 B9R1.35 CC(=O)C1=CC=C(C)S1 NO20396 [0,2,0,0,0,0|0,1,0]=3 470 B9R1.35 CC(=O)C1=CC=C(Cl)S1 NO21209 [0,2,0,0,0,0|0,1,0]=3 471 B9R1.35 CC(=O)C1=CN=C(Br)S1 NO17877 [0,2,0,0,0,0|1,1,0]=4 472 B9R1.35 CC(=O)C1=CN=C(N)S1 DY558789 [0,2,0,0,0,0|1,1,0]=4 473 B9R1.35 CC(=O)C1=CSC(C)=N1 DY542865 [0,2,0,0,0,0|2,0,0]=4 474 B9R1.35 CC(=O)C1=CSC(N)=N1 NO20386 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.35 CC(=O)C1=NC(C)=CO1 NO16603 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.35 CC(=O)C1=NC=C(Cl)S1 DY571377 [0,2,0,0,0,0|1,1,0]=4 477 B9R1.35 CC(=O)C1=NOC(C)=C1 NO20434 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.35 CC1=CC(C(=O)O)=CN1 NO15830 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.35 CC1=CC(C(=O)O)=NN1 NO10435 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.35 CC1=CC(C(N)=O)=NO1 NO10575 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.35 CC1=CC=C(C(=O)O)O1 NO19440 [0,2,0,0,0,0|0,0,0]=2 482 B9R1.35 CC1=CC=C(C(=O)O)S1 NO23027 [0,2,0,0,0,0|0,1,0]=3 483 B9R1.35 CC1=COC(C(=O)O)=C1 DY104342 [0,2,0,0,0,0|0,0,0]=2 484 B9R1.35 CC1=NC=C(C(=O)O)S1 NO21657 [0,2,0,0,0,0|1,1,0]=4 485 B9R1.35 CC1=NN=C(C(=O)[O-])O1 DY772839 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.35 CC1=NN=C(C(=O)[O-])O1 NO10429 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.35 CC1=NOC(C(=O)O)=C1 NO22370 [0,2,0,0,0,0|1,0,0]=3 488 B9R1.35 CN1C=CC(C(=O)O)=N1 NO18190 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.35 CN1C=NC(C(=O)O)=C1 NO20746 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.35 CN1C=NC(C(N)=O)=C1 NO12656 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.35 NC(=O)C1=CSC(N)=N1 NO19529 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.35 NC(=O)C1=NC(Br)=CN1 DY725245 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.35 NC1=NC(C(=O)O)=CN1 NO12779 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.35 NC1=NC=C(C(=O)O)S1 NO18292 [0,2,0,0,0,0|1,1,0]=4 495 B9R1.35 O=C(O)C1=CC(Br)=CN1 NO22700 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.35 O=C(O)C1=CC(Br)=CO1 NO10558 [0,2,0,0,0,0|0,0,0]=2 497 B9R1.35 O=C(O)C1=CC(Br)=CS1 NO22681 [0,2,0,0,0,0|0,1,0]=3 498 B9R1.35 O=C(O)C1=CC(Br)=NO1 NO22178 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.35 O=C(O)C1=CC=C(Br)N1 NO16375 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.35 O=C(O)C1=CC=C(Br)O1 NO22685 [0,2,0,0,0,0|0,0,0]=2 501 B9R1.35 O=C(O)C1=CC=C(Br)S1 NO17287 [0,2,0,0,0,0|0,1,0]=3 502 B9R1.35 O=C(O)C1=CC=C(Cl)O1 NO10327 [0,2,0,0,0,0|0,0,0]=2 503 B9R1.35 O=C(O)C1=CC=C(Cl)S1 NO17350 [0,2,0,0,0,0|0,1,0]=3 504 B9R1.35 O=C(O)C1=CC=C(F)S1 DY456724 [0,2,0,0,0,0|0,1,0]=3 505 B9R1.35 O=C(O)C1=CN=C(Br)O1 NO17421 [0,2,0,0,0,0|1,0,0]=3 506 B9R1.35 O=C(O)C1=COC(Br)=N1 NO15537 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.35 O=C(O)C1=CSC(Br)=C1 DY441053 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.35 O=C(O)C1=CSC(Br)=N1 NO15291 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.35 O=C(O)C1=CSC(Cl)=C1 NO10357 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.35 O=C(O)C1=CSC(Cl)=N1 NO21424 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.35 O=C(O)C1=NC=C(Br)S1 DY428239 [0,2,0,0,0,0|1,1,0]=4 512 B9R1.35 O=C(O)C1=NNC(Cl)=C1 NO10316 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.35 O=C(O)C1=NSC(Br)=C1 DY459822 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.35 O=C(O)c1cc(F)cs1 DY430853 [0,2,0,0,0,0|0,1,0]=3 515 B9R1.35 O=C1C=C(C(=O)O)CO1 DY531771 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.132 CC1=CC=C(C=O)N1C DY510350 [0,2,0,0,0,0|1,0,0]=3 517 B9R1.132 CN1C(Br)=CN=C1C=O DY572193 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.11 COC(=O)C1=CC=CN1 NO17868 [0,2,0,0,0,0|1,0,0]=3 519 B9R1.11 COC(=O)C1=CC=CO1 NO11606 [0,2,0,0,0,0|0,0,0]=2 520 B9R1.11 COC(=O)C1=CNC=C1 NO20729 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.11 COC(=O)C1=CNC=N1 NO18794 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.11 COC(=O)C1=NC=CN1 NO15200 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.11 COC(=O)C1=NNC=C1 NO11588 [0,2,0,0,0,0|2,0,0]=4 524 B9R1.11 NCC(=O)C1=CC=CO1 DY447227 [0,2,0,0,0,0|0,0,0]=2 525 B9R1.11 NNC(=O)C1=COC=N1 DY773157 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.11 O=C(CBr)C1=CC=CN1 DY718347 [0,2,0,0,0,0|1,0,0]=3 527 B9R1.11 O=C(CBr)C1=CSC=N1 DY785116 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.11 O=C(CBr)C1=NC=CS1 NO21325 [0,2,0,0,0,0|1,1,0]=4 529 B9R1.11 O=CC(=O)C1=CC=CO1 DY759530 [0,2,0,0,0,0|0,0,0]=2 530 B9R1.11 O=CC(=O)C1=CC=CS1 DY447491 [0,2,0,0,0,0|0,1,0]=3 531 B9R1.19 NS(=O)(=O)C1=CC=CS1 NO22596 [0,2,0,0,0,0|1,1,0]=4 532 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 DY20419 [0,2,0,0,0,0|1,1,0]=4 533 B9R1.41 CC(=O)C1=CSC=C1Cl DY579531 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.41 CC(=O)C1=NC=CN1C DY575049 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.41 CC1=C(C(=O)O)C=CO1 NO21668 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.41 CC1=C(C(=O)O)C=CS1 NO21702 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.41 CC1=C(C(=O)O)N=CO1 NO10431 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.41 CC1=C(C(=O)O)N=CS1 NO17596 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.41 CC1=C(C(=O)O)NC=C1 DY106666 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.41 CC1=C(C(=O)O)OC=N1 NO18905 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.41 CC1=C(C(=O)O)SC=C1 NO23026 [0,2,0,0,0,0|0,1,0]=3 542 B9R1.41 CC1=C(C(=O)O)SC=N1 NO22753 [0,2,0,0,0,0|1,1,0]=4 543 B9R1.41 CC1=C(C(N)=O)C=CS1 DY535449 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.41 CC1=C([N+](=O)[O-])SC=C1 DY787516 [0,2,0,0,0,0|1,1,0]=4 545 B9R1.41 CC1=CNC=C1C(=O)O DY718335 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.41 CC1=CSC=C1C(=O)O NO14827 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.41 CN1C=CN=C1C(=O)O NO20745 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.41 CN1C=NC=C1C(=O)Cl DY725917 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.41 CN1C=NC=C1C(=O)O NO20748 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.41 CN1N=CC=C1C(=O)O NO17278 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.41 NC(=O)C1=C(N)C=CS1 DY525033 [0,2,0,0,0,0|0,1,0]=3 552 B9R1.41 NC(=O)C1=C(N)C=NN1 DY566523 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.41 NC(=O)C1=C(N)NC=N1 NO21952 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.41 NC(=O)C1=C(N)NC=N1 NO21953 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.41 NC(=O)C1=C(N)SC=C1 NO21314 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.41 NC(=O)C1=C(N)SC=N1 DY21008 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.41 NC(=O)C1=CC=CN1N NO20727 [0,2,0,0,0,0|1,0,0]=3 558 B9R1.41 NC(=O)C1=NNC=C1Br NO14484 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.41 NC1=C(C(=O)O)C=CO1 DY460308 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.41 NC1=C(C(=O)O)SC=C1 DY787204 [0,2,0,0,0,0|0,1,0]=3 561 B9R1.41 NC1=C([N+](=O)[O-])SC=C1 DY787186 [0,2,0,0,0,0|1,1,0]=4 562 B9R1.41 NC1=CNN=C1C(=O)O NO15323 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.41 O=C(O)C1=C(Br)C=CS1 NO17286 [0,2,0,0,0,0|0,1,0]=3 564 B9R1.41 O=C(O)C1=C(Br)C=NN1 NO13587 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.41 O=C(O)C1=C(Br)SC=C1 NO21343 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.41 O=C(O)C1=C(Br)SC=N1 DY456162 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.41 O=C(O)C1=C(Cl)C=NS1 DY785896 [0,2,0,0,0,0|1,1,0]=4 568 B9R1.41 O=C(O)C1=C(Cl)SC=C1 NO12218 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.41 O=C(O)C1=C(F)C=CS1 NO21775 [0,2,0,0,0,0|0,1,0]=3 570 B9R1.41 O=C(O)C1=C(I)C=NN1 NO13410 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.41 O=C(O)C1=CSC=C1Br DY442191 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.41 O=C(O)C1=NNC=C1Br NO22625 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.41 O=C(O)C1=NNC=C1Cl NO15482 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.12 CCOCC1=CC=CO1 NO17009 [0,2,0,0,0,0|0,0,2]=4 575 B9R1.12 CSSCC1=CC=CO1 DY759446 [0,2,0,0,0,0|0,1,1]=4 576 B9R1.13 CC(=O)CC1=CSC=C1 DY787564 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.13 O=C(O)CC1=CC=CS1 NO23025 [0,2,0,0,0,0|0,1,0]=3 578 B9R1.13 O=C(O)CC1=CN=CN1 NO22764 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.13 O=C(O)CN1C=CC=C1 DY793113 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.13 OB(O)CC1=CC=CO1 DY706285 [0,2,0,0,0,0|0,0,2]=4 581 B9R1.33 CN1C=CC=C1\C=N\O DY717729 [0,2,0,0,0,0|1,0,1]=4 582 B9R1.14 CCN1C=CN=C1C=O NO13816 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.14 CCN1N=CC=C1C=O DY578787 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.27 O=CC1=C(Br)SC=C1Br DY787114 [0,2,0,0,0,0|2,0,0]=4 585 B7R1.3 BrC1=CC=CN=C1 NO19218 [0,0,1,1,0,0|2,0,0]=4 586 B7R1.3 FC1=CC=CC=C1 DY41489 [0,0,1,1,0,0|2,0,0]=4 587 B7R1.3 FC1=CC=CN=C1 DY20006 [0,0,1,1,0,0|2,0,0]=4 588 B7R1.3 IC1=CC=CC=C1 NO19958 [0,0,1,1,0,0|2,0,0]=4 589 B7R1.3 NC1=CC=CN=C1 NO19073 [0,0,1,1,0,0|2,0,0]=4 590 B7R1.3 OC1=CC=CN=C1 NO17813 [0,0,1,1,0,0|1,0,0]=3 591 B7R1.3 OC1=CC=NC=C1 NO19216 [0,0,1,1,0,0|2,0,0]=4 592 B7R1.3 OC1=CN=CN=C1 NO10407 [0,0,1,1,0,0|2,0,0]=4 593 B7R1.3 OC1=CN=NC=C1 DY538881 [0,0,1,1,0,0|2,0,0]=4 594 B7R1.3 OC1=CN=NC=C1 NO17666 [0,0,1,1,0,0|2,0,0]=4 595 B7R1.3 OC1=NC=CC=C1 NO21602 [0,0,1,1,0,0|2,0,0]=4 596 B7R1.3 OC1=NC=CN=C1 NO21601 [0,0,1,1,0,0|2,0,0]=4 597 B7R1.3 [15NH2]C1=CC=CC=C1 DY454761 [0,0,1,1,0,0|2,0,0]=4 598 B7R1.3 [Hg+]C1=CC=CC=C1 DY822438 [0,0,1,1,0,0|2,0,0]=4 599 B9R2.3 C1=CC2=C(C=CS2)S1 NO19885 [0,1,0,1,0,0|0,2,0]=4 600 B9R2.3 C1=CC2=C(C=NN2)S1 DY447849 [0,1,0,1,0,0|1,1,0]=4 601 B9R2.3 C1=CC2=C(N=CS2)O1 DY544809 [0,1,0,1,0,0|0,1,0]=3 602 B5R1.2 O=C1CCO1 DY561045 [1,0,0,0,1,0|0,0,2]=4 603 B5R1.2 O=C1O[Mg]O1 DY566343 [1,0,0,0,1,0|2,0,0]=4