0 B6R1.2 BrC1=CC=CS1 NO21414 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=CC=C[Se]1 DY114898 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 BrC1=CC=NN1 NO17757 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 BrC1=CN=CS1 NO14114 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 BrC1=CNC=N1 NO14270 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 BrC1=CNN=C1 NO13922 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 BrC1=COC=C1 NO19877 [0,0,0,0,0,0|2,1,0]=3 7 B6R1.2 BrC1=CSC=C1 NO21415 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 BrC1=CSC=N1 DY20197 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.2 BrC1=NC=CN1 NO19858 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 BrC1=NC=CS1 NO14242 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 BrC1=NC=NS1 NO14599 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 BrC1=NN=CN1 NO18124 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 BrC1=NN=CS1 NO21329 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 BrC1=NNC=C1 NO19717 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 BrC1=NNC=N1 NO22126 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 BrC1=NOC=C1 DY113742 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 BrC1=NSC=C1 NO11529 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 BrC1=NSC=N1 DY586016 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 C=C1CCSC1 DY523665 [0,0,0,0,0,0|1,0,3]=4 20 B6R1.2 CC1=CC=CN1 NO21660 [0,0,0,0,0,0|1,0,1]=2 21 B6R1.2 CC1=CC=CS1 NO21701 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 CC1=CC=NN1 DY21108 [0,0,0,0,0,0|2,0,1]=3 23 B6R1.2 CC1=CN=CS1 NO10460 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 CC1=CNC=C1 DY20689 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.2 CC1=CNC=N1 DY20397 [0,0,0,0,0,0|1,0,0]=1 26 B6R1.2 CC1=CNN=C1 NO22982 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 CC1=CNN=N1 NO12910 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 CC1=CON=C1 DY822175 [0,0,0,0,0,0|2,1,0]=3 29 B6R1.2 CC1=CSC=N1 NO15621 [0,0,0,0,0,0|0,0,0]=0 30 B6R1.2 CC1=NC=CN1 DY562149 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 CC1=NC=CN1 DY567567 [0,0,0,0,0,0|2,0,0]=2 32 B6R1.2 CC1=NC=CS1 NO22598 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.2 CC1=NCCC1 NO21664 [0,0,0,0,0,0|1,0,2]=3 34 B6R1.2 CC1=NN=CO1 NO12863 [0,0,0,0,0,0|3,0,0]=3 35 B6R1.2 CC1=NNC=C1 NO13720 [0,0,0,0,0,0|2,0,0]=2 36 B6R1.2 CC1=NNC=N1 NO22353 [0,0,0,0,0,0|2,0,0]=2 37 B6R1.2 CC1=NOC=C1 NO11533 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 CN1C=CC=C1 NO20770 [0,0,0,0,0,0|3,0,0]=3 39 B6R1.2 CN1C=CC=N1 NO19419 [0,0,0,0,0,0|2,0,0]=2 40 B6R1.2 CN1C=CN=N1 NO20743 [0,0,0,0,0,0|3,0,0]=3 41 B6R1.2 CN1C=NC=N1 NO20744 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.2 CN1C=NN=C1 DY20987 [0,0,0,0,0,0|4,0,0]=4 43 B6R1.2 CN1C=NN=N1 DY445043 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 ClC1=CN=CN1 NO10347 [0,0,0,0,0,0|2,0,1]=3 45 B6R1.2 ClC1=CN=CS1 DY460404 [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 ClC1=CNN=C1 NO18764 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 ClC1=CSC=N1 NO14317 [0,0,0,0,0,0|1,0,0]=1 48 B6R1.2 ClC1=NC=NS1 NO13994 [0,0,0,0,0,0|3,0,0]=3 49 B6R1.2 ClC1=NN=CN1 NO18465 [0,0,0,0,0,0|3,0,1]=4 50 B6R1.2 ClC1=NN=CS1 DY558585 [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 ClC1=NNC=N1 NO13947 [0,0,0,0,0,0|3,0,0]=3 52 B6R1.2 FC1=CNN=C1 DY550557 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 IC1=CC=CS1 NO21616 [0,0,0,0,0,0|3,0,0]=3 54 B6R1.2 IC1=CNC=N1 NO14306 [0,0,0,0,0,0|2,0,0]=2 55 B6R1.2 IC1=CNN=C1 NO14308 [0,0,0,0,0,0|4,0,0]=4 56 B6R1.2 IC1=CSC=C1 NO22332 [0,0,0,0,0,0|2,0,0]=2 57 B6R1.2 IC1=NC=CN1 NO21881 [0,0,0,0,0,0|3,0,0]=3 58 B6R1.2 IC1=NNC=C1 NO13669 [0,0,0,0,0,0|3,0,0]=3 59 B6R1.2 NC1=CC=NO1 DY459948 [0,0,0,0,0,0|4,0,0]=4 60 B6R1.2 NC1=CC=NS1 DY20989 [0,0,0,0,0,0|4,0,0]=4 61 B6R1.2 NC1=CN=NS1 NO13955 [0,0,0,0,0,0|4,0,0]=4 62 B6R1.2 NC1=CNC=N1 DY506688 [0,0,0,0,0,0|2,0,0]=2 63 B6R1.2 NC1=CNC=N1 NO16117 [0,0,0,0,0,0|2,0,0]=2 64 B6R1.2 NC1=CNN=C1 NO18307 [0,0,0,0,0,0|4,0,0]=4 65 B6R1.2 NC1=COC=N1 DY121309 [0,0,0,0,0,0|1,1,0]=2 66 B6R1.2 NC1=CON=C1 NO15739 [0,0,0,0,0,0|3,1,0]=4 67 B6R1.2 NC1=CSC=C1 NO12280 [0,0,0,0,0,0|2,0,0]=2 68 B6R1.2 NC1=NC=CN1 NO13716 [0,0,0,0,0,0|3,0,0]=3 69 B6R1.2 NC1=NC=CO1 NO19070 [0,0,0,0,0,0|3,0,0]=3 70 B6R1.2 NC1=NC=CS1 NO16381 [0,0,0,0,0,0|3,0,0]=3 71 B6R1.2 NC1=NC=NN1 NO15608 [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 NC1=NC=NS1 NO13953 [0,0,0,0,0,0|3,0,0]=3 73 B6R1.2 NC1=NC=NS1 NO15183 [0,0,0,0,0,0|3,0,0]=3 74 B6R1.2 NC1=NCCC1 NO19310 [0,0,0,0,0,0|2,0,2]=4 75 B6R1.2 NC1=NN=CS1 NO22505 [0,0,0,0,0,0|4,0,0]=4 76 B6R1.2 NC1=NNC=C1 DY645486 [0,0,0,0,0,0|3,0,0]=3 77 B6R1.2 NC1=NNC=C1 NO22527 [0,0,0,0,0,0|3,0,0]=3 78 B6R1.2 NC1=NNC=N1 NO22032 [0,0,0,0,0,0|3,0,0]=3 79 B6R1.2 NC1=NOC=C1 NO14368 [0,0,0,0,0,0|3,0,0]=3 80 B6R1.2 NN1C=CC=C1 DY10332 [0,0,0,0,0,0|4,0,0]=4 81 B6R1.2 NN1C=CN=C1 DY725995 [0,0,0,0,0,0|4,0,0]=4 82 B6R1.2 O=C1CC=NN1 NO20496 [0,0,0,0,0,0|4,0,0]=4 83 B6R1.2 O=C1CCSC1 DY20305 [0,0,0,0,0,0|2,0,2]=4 84 B6R1.2 O=C1N=CCO1 DY565077 [0,0,0,0,0,0|3,0,0]=3 85 B6R1.2 OC1=NC=CS1 NO12100 [0,0,0,0,0,0|3,0,0]=3 86 B6R1.2 OC1=NN=CS1 DY607647 [0,0,0,0,0,0|4,0,0]=4 87 B6R1.2 ON1C=CC=N1 NO12818 [0,0,0,0,0,0|3,0,0]=3 88 B6R1.2 S=C1N=CNN1 DY548295 [0,0,0,0,0,0|3,0,0]=3 89 B6R1.2 SC1=NC=CS1 DY573237 [0,0,0,0,0,0|3,0,0]=3 90 B6R1.2 SC1=NN=CS1 DY20533 [0,0,0,0,0,0|4,0,0]=4 91 B5R1.1 C1=CCNC1 DY10278 [1,0,0,0,0,0|3,0,0]=4 92 B5R1.1 C1=CCNC1 DY798015 [1,0,0,0,0,0|3,0,0]=4 93 B5R1.1 C1=CNC=C1 DY20798 [1,0,0,0,0,0|1,0,1]=3 94 B5R1.1 C1=CNC=N1 DY725677 [1,0,0,0,0,0|1,0,0]=2 95 B5R1.1 C1=CNC=N1 NO19767 [1,0,0,0,0,0|1,0,0]=2 96 B5R1.1 C1=CNN=C1 NO18933 [1,0,0,0,0,0|2,0,0]=3 97 B5R1.1 C1=CNN=N1 DY793779 [1,0,0,0,0,0|2,0,0]=3 98 B5R1.1 C1=COC=N1 DY546507 [1,0,0,0,0,0|0,1,0]=2 99 B5R1.1 C1=CON=C1 DY20462 [1,0,0,0,0,0|2,0,0]=3 100 B5R1.1 C1=CSN=C1 DY20995 [1,0,0,0,0,0|2,0,0]=3 101 B5R1.1 C1=C[CH-]C=C1 DY21078 [1,0,0,0,0,0|2,0,0]=3 102 B5R1.1 C1=NC=NN1 NO19896 [1,0,0,0,0,0|2,0,0]=3 103 B5R1.1 C1=NCCO1 DY793809 [1,0,0,0,0,0|0,1,2]=4 104 B5R1.1 C1=NN=NN1 DY439133 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 BrCC1=CSC=N1 DY583383 [0,1,0,0,0,0|0,0,0]=1 106 B7R1.1 BrCC1=NC=CS1 NO12090 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 C#CC1=NC=CS1 DY506861 [0,1,0,0,0,0|2,0,1]=4 108 B7R1.1 CCC1=NC=CN1 NO21533 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.1 CCN1C=CC=N1 NO20681 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.1 CNC1=CC=CS1 DY786838 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.1 CNC1=NNC=C1 DY555147 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.1 COC1=CC=CO1 DY759896 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.1 COC1=CNC=N1 DY725797 [0,1,0,0,0,0|1,0,0]=2 114 B7R1.1 COC1=CSC=C1 NO22351 [0,1,0,0,0,0|1,0,0]=2 115 B7R1.1 COC1=NC=CS1 NO22597 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.1 COC1=NCCC1 NO10423 [0,1,0,0,0,0|1,0,2]=4 117 B7R1.1 CSC1=NC=CO1 NO17723 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.1 ClCC1=CC=CO1 NO13429 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.1 ClCC1=CN=CO1 DY114644 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.1 ClCC1=CN=CS1 NO16156 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.1 ClCC1=CSC=N1 DY571191 [0,1,0,0,0,0|0,0,0]=1 122 B7R1.1 ClCC1=CSC=N1 DY586637 [0,1,0,0,0,0|0,0,0]=1 123 B7R1.1 ClCC1=NC=CN1 NO20896 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.1 ClCN1C=CC=N1 DY644922 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.1 N#CC1=CC=CS1 NO22701 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.1 N#CC1=CN=CS1 NO12489 [0,1,0,0,0,0|2,0,1]=4 127 B7R1.1 N#CC1=CNC=C1 DY568533 [0,1,0,0,0,0|2,0,1]=4 128 B7R1.1 N#CC1=CNC=N1 NO20707 [0,1,0,0,0,0|1,0,1]=3 129 B7R1.1 N#CC1=COC=N1 NO18363 [0,1,0,0,0,0|0,1,1]=3 130 B7R1.1 N#CC1=CSC=C1 NO17418 [0,1,0,0,0,0|1,0,1]=3 131 B7R1.1 N#CC1=NC=CS1 NO12219 [0,1,0,0,0,0|2,0,1]=4 132 B7R1.1 N#CC1=NC=NN1 NO22522 [0,1,0,0,0,0|2,0,1]=4 133 B7R1.1 N#CC1=NNC=C1 NO20722 [0,1,0,0,0,0|2,0,1]=4 134 B7R1.1 NCC1=CC=CN1 NO14874 [0,1,0,0,0,0|1,0,1]=3 135 B7R1.1 NCC1=CC=CS1 NO22783 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.1 NCC1=CN=CO1 NO17502 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.1 NCC1=CN=CO1 NO18508 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.1 NCC1=CN=CS1 DY517137 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.1 NCC1=CN=NN1 DY501302 [0,1,0,0,0,0|2,0,1]=4 140 B7R1.1 NCC1=CNC=N1 NO15263 [0,1,0,0,0,0|1,0,0]=2 141 B7R1.1 NCC1=CNC=N1 NO16828 [0,1,0,0,0,0|1,0,0]=2 142 B7R1.1 NCC1=CON=C1 DY531627 [0,1,0,0,0,0|2,1,0]=4 143 B7R1.1 NCC1=CSC=C1 NO22417 [0,1,0,0,0,0|1,0,0]=2 144 B7R1.1 NCC1=CSC=N1 DY116268 [0,1,0,0,0,0|0,0,0]=1 145 B7R1.1 NCC1=NC=CO1 DY773829 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.1 NCC1=NC=CS1 DY560307 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.1 NCC1=NN=CO1 DY103312 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.1 NCC1=NNC=C1 NO15493 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.1 NNC1=NC=CS1 DY785464 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.1 O=CC1=CC=CN1 NO17764 [0,1,0,0,0,0|1,0,2]=4 151 B7R1.1 O=CC1=CC=CS1 NO16400 [0,1,0,0,0,0|2,0,1]=4 152 B7R1.1 O=CC1=CN=CS1 NO15582 [0,1,0,0,0,0|2,0,1]=4 153 B7R1.1 O=CC1=CNC=C1 NO20728 [0,1,0,0,0,0|2,0,1]=4 154 B7R1.1 O=CC1=CNC=N1 NO14113 [0,1,0,0,0,0|1,0,1]=3 155 B7R1.1 O=CC1=CSC=C1 NO14553 [0,1,0,0,0,0|1,0,1]=3 156 B7R1.1 O=CC1=NC=CN1 NO15723 [0,1,0,0,0,0|2,0,1]=4 157 B7R1.1 O=CC1=NC=CO1 DY565689 [0,1,0,0,0,0|2,0,1]=4 158 B7R1.1 O=CC1=NNC=C1 NO18284 [0,1,0,0,0,0|2,0,1]=4 159 B7R1.1 OCC1=CC=NO1 NO15343 [0,1,0,0,0,0|3,0,0]=4 160 B7R1.1 OCC1=CN=CS1 NO16191 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.1 OCC1=CNN=C1 NO20094 [0,1,0,0,0,0|3,0,0]=4 162 B7R1.1 OCC1=COC=C1 NO22303 [0,1,0,0,0,0|1,1,0]=3 163 B7R1.1 OCC1=CSC=C1 NO18039 [0,1,0,0,0,0|1,0,0]=2 164 B7R1.1 OCC1=CSC=N1 NO22892 [0,1,0,0,0,0|0,0,0]=1 165 B7R1.1 OCC1=NC=NN1 DY116570 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.1 OCN1C=CC=N1 NO11902 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.1 OCN1C=CN=C1 DY726289 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.2 BrC1=CC=C(Br)S1 NO22553 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.2 BrC1=CN=C(Br)S1 NO19923 [0,1,0,0,0,0|3,0,0]=4 170 B7R1.2 BrC1=CSC(Br)=N1 NO13368 [0,1,0,0,0,0|1,0,0]=2 171 B7R1.2 BrC1=NC=C(I)S1 DY452794 [0,1,0,0,0,0|3,0,0]=4 172 B7R1.2 BrC1=NNC(Br)=N1 NO21961 [0,1,0,0,0,0|3,0,0]=4 173 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,1,0,0,0,0|2,0,1]=4 174 B7R1.2 CC1=CC(=O)NN1 NO22601 [0,1,0,0,0,0|2,0,1]=4 175 B7R1.2 CC1=CC(Br)=CS1 NO22736 [0,1,0,0,0,0|2,0,0]=3 176 B7R1.2 CC1=CC(Br)=NN1 NO12832 [0,1,0,0,0,0|2,0,1]=4 177 B7R1.2 CC1=CC(Br)=NO1 DY113406 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.2 CC1=CC(C)=NN1 NO19982 [0,1,0,0,0,0|2,0,0]=3 179 B7R1.2 CC1=CC(C)=NO1 NO14107 [0,1,0,0,0,0|2,0,0]=3 180 B7R1.2 CC1=CC(I)=NN1 NO16887 [0,1,0,0,0,0|2,0,1]=4 181 B7R1.2 CC1=CC(N)=CS1 DY786994 [0,1,0,0,0,0|2,0,0]=3 182 B7R1.2 CC1=CC=C(Br)O1 DY513585 [0,1,0,0,0,0|2,0,0]=3 183 B7R1.2 CC1=CC=C(Br)S1 NO22735 [0,1,0,0,0,0|2,0,0]=3 184 B7R1.2 CC1=CC=C(C)N1 NO21153 [0,1,0,0,0,0|1,0,1]=3 185 B7R1.2 CC1=CC=C(Cl)S1 DY451354 [0,1,0,0,0,0|2,0,0]=3 186 B7R1.2 CC1=CC=C(I)S1 DY530097 [0,1,0,0,0,0|2,0,0]=3 187 B7R1.2 CC1=CC=C(N)S1 DY787300 [0,1,0,0,0,0|2,0,0]=3 188 B7R1.2 CC1=CC=C(N)S1 DY787384 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.2 CC1=CCC(=O)O1 DY562161 [0,1,0,0,0,0|2,0,0]=3 190 B7R1.2 CC1=CN(C)N=C1 NO20542 [0,1,0,0,0,0|2,0,0]=3 191 B7R1.2 CC1=CN(C)N=N1 DY103246 [0,1,0,0,0,0|2,0,0]=3 192 B7R1.2 CC1=CN=C(Br)S1 NO12301 [0,1,0,0,0,0|2,0,0]=3 193 B7R1.2 CC1=CN=C(C)S1 NO22782 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.2 CC1=CN=C(N)S1 NO21821 [0,1,0,0,0,0|2,0,0]=3 195 B7R1.2 CC1=CNC(C)=N1 NO21117 [0,1,0,0,0,0|1,0,0]=2 196 B7R1.2 CC1=COC(C)=N1 DY568869 [0,1,0,0,0,0|0,1,0]=2 197 B7R1.2 CC1=CSC(Br)=N1 NO18300 [0,1,0,0,0,0|0,0,0]=1 198 B7R1.2 CC1=CSC(C)=N1 NO22781 [0,1,0,0,0,0|0,0,0]=1 199 B7R1.2 CC1=CSC(I)=N1 DY549783 [0,1,0,0,0,0|0,0,0]=1 200 B7R1.2 CC1=CSC(N)=N1 DY785716 [0,1,0,0,0,0|0,0,0]=1 201 B7R1.2 CC1=NC(Br)=CS1 DY547065 [0,1,0,0,0,0|1,0,0]=2 202 B7R1.2 CC1=NC(N)=CO1 DY773883 [0,1,0,0,0,0|1,1,0]=3 203 B7R1.2 CC1=NC=C(I)N1 NO19295 [0,1,0,0,0,0|2,0,0]=3 204 B7R1.2 CC1=NC=C(N)N1 DY445566 [0,1,0,0,0,0|2,0,0]=3 205 B7R1.2 CC1=NC=C(N)S1 NO15937 [0,1,0,0,0,0|2,0,0]=3 206 B7R1.2 CC1=NCC(=O)O1 DY774159 [0,1,0,0,0,0|2,0,1]=4 207 B7R1.2 CC1=NN=C(Br)S1 NO22523 [0,1,0,0,0,0|3,0,0]=4 208 B7R1.2 CC1=NN=C(C)O1 NO15161 [0,1,0,0,0,0|3,0,0]=4 209 B7R1.2 CC1=NN=C(N)N1 NO22083 [0,1,0,0,0,0|2,0,1]=4 210 B7R1.2 CC1=NN=C(N)S1 DY460812 [0,1,0,0,0,0|3,0,0]=4 211 B7R1.2 CC1=NNC(=O)C1 NO16242 [0,1,0,0,0,0|2,0,1]=4 212 B7R1.2 CC1=NNC(=O)O1 NO10427 [0,1,0,0,0,0|3,0,0]=4 213 B7R1.2 CC1=NNC(=S)S1 DY546891 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.2 CC1=NOC(Br)=C1 DY773601 [0,1,0,0,0,0|2,0,0]=3 215 B7R1.2 CC1=NOC(Br)=N1 DY582975 [0,1,0,0,0,0|1,1,0]=3 216 B7R1.2 CC1=NOC(N)=C1 NO16239 [0,1,0,0,0,0|2,0,0]=3 217 B7R1.2 CC1=NSC(N)=C1 DY459756 [0,1,0,0,0,0|2,0,0]=3 218 B7R1.2 CC1=NSC(N)=C1 NO16387 [0,1,0,0,0,0|2,0,0]=3 219 B7R1.2 CN1C=C(Br)C=N1 NO19794 [0,1,0,0,0,0|2,0,0]=3 220 B7R1.2 CN1C=C(Cl)C=N1 NO12276 [0,1,0,0,0,0|2,0,0]=3 221 B7R1.2 CN1C=C(I)C=N1 NO20765 [0,1,0,0,0,0|2,0,0]=3 222 B7R1.2 CN1C=C(N)C=N1 NO12134 [0,1,0,0,0,0|2,0,0]=3 223 B7R1.2 CN1C=C(N)C=N1 NO15973 [0,1,0,0,0,0|2,0,0]=3 224 B7R1.2 CN1C=CC(Br)=N1 NO20720 [0,1,0,0,0,0|2,0,0]=3 225 B7R1.2 CN1C=CC(N)=C1 NO17699 [0,1,0,0,0,0|3,0,0]=4 226 B7R1.2 CN1C=NC(Br)=C1 DY544755 [0,1,0,0,0,0|2,0,0]=3 227 B7R1.2 CN1C=NC(Br)=N1 NO22130 [0,1,0,0,0,0|2,0,0]=3 228 B7R1.2 CN1C=NC(I)=C1 NO16068 [0,1,0,0,0,0|2,0,0]=3 229 B7R1.2 CN1C=NC(N)=C1 NO15605 [0,1,0,0,0,0|2,0,0]=3 230 B7R1.2 CN1N=CC(Br)=N1 NO17389 [0,1,0,0,0,0|3,0,0]=4 231 B7R1.2 C[N+]1=CN(N)C=N1 DY822854 [0,1,0,0,0,0|2,0,0]=3 232 B7R1.2 ClC1=CC=C(Cl)S1 DY548247 [0,1,0,0,0,0|3,0,0]=4 233 B7R1.2 ClC1=CSC(Br)=N1 NO17180 [0,1,0,0,0,0|1,0,0]=2 234 B7R1.2 ClC1=CSC(Cl)=N1 NO14318 [0,1,0,0,0,0|1,0,0]=2 235 B7R1.2 ClC1=NSC(Cl)=N1 DY542481 [0,1,0,0,0,0|2,0,0]=3 236 B7R1.2 IC1=COC(I)=N1 DY503553 [0,1,0,0,0,0|1,1,0]=3 237 B7R1.2 NC1=CC(=O)CS1 DY786970 [0,1,0,0,0,0|2,0,1]=4 238 B7R1.2 NC1=CC(Br)=CN1 DY717897 [0,1,0,0,0,0|2,0,1]=4 239 B7R1.2 NC1=CC(N)=NN1 DY645492 [0,1,0,0,0,0|3,0,0]=4 240 B7R1.2 NC1=CN=C(Br)S1 DY786196 [0,1,0,0,0,0|3,0,0]=4 241 B7R1.2 NC1=CSC(Cl)=C1 DY104600 [0,1,0,0,0,0|2,0,0]=3 242 B7R1.2 NC1=CSC(N)=N1 NO14359 [0,1,0,0,0,0|1,0,0]=2 243 B7R1.2 NC1=NC(=S)SS1 DY677477 [0,1,0,0,0,0|2,0,0]=3 244 B7R1.2 NC1=NC(Br)=CS1 NO18333 [0,1,0,0,0,0|1,0,0]=2 245 B7R1.2 NC1=NC=C(Br)O1 DY522675 [0,1,0,0,0,0|3,0,0]=4 246 B7R1.2 NC1=NC=C(Cl)S1 NO21276 [0,1,0,0,0,0|3,0,0]=4 247 B7R1.2 NC1=NC=C(F)S1 NO10393 [0,1,0,0,0,0|3,0,0]=4 248 B7R1.2 NC1=NNC(Br)=C1 NO15854 [0,1,0,0,0,0|3,0,0]=4 249 B7R1.2 O=C1C=CC(=O)O1 DY743137 [0,1,0,0,0,0|3,0,0]=4 250 B7R1.2 O=C1CSC(=O)N1 NO22526 [0,1,0,0,0,0|1,0,2]=4 251 B7R1.2 O=C1CSC(=S)N1 DY522063 [0,1,0,0,0,0|1,0,2]=4 252 B7R1.4 BrC1=C(Br)NN=N1 NO22492 [0,1,0,0,0,0|3,0,0]=4 253 B7R1.4 BrC1=C(Br)SC=C1 NO22551 [0,1,0,0,0,0|2,0,0]=3 254 B7R1.4 BrC1=CSC=C1Br NO22554 [0,1,0,0,0,0|2,0,0]=3 255 B7R1.4 BrC1=NNN=C1Br NO17218 [0,1,0,0,0,0|3,0,0]=4 256 B7R1.4 CC1=C(Br)C=NN1 NO16927 [0,1,0,0,0,0|2,0,1]=4 257 B7R1.4 CC1=C(Br)SC=C1 NO13700 [0,1,0,0,0,0|1,0,0]=2 258 B7R1.4 CC1=C(C)NC=N1 DY20435 [0,1,0,0,0,0|1,0,0]=2 259 B7R1.4 CC1=C(C)NC=N1 DY575295 [0,1,0,0,0,0|1,0,0]=2 260 B7R1.4 CC1=C(C)SC=N1 NO22784 [0,1,0,0,0,0|0,0,0]=1 261 B7R1.4 CC1=C(N)C=NN1 DY605875 [0,1,0,0,0,0|2,0,1]=4 262 B7R1.4 CC1=C(N)C=NN1 DY609385 [0,1,0,0,0,0|2,0,1]=4 263 B7R1.4 CC1=CC=NN1C NO19266 [0,1,0,0,0,0|2,0,0]=3 264 B7R1.4 CC1=CNN=C1C NO13346 [0,1,0,0,0,0|2,0,0]=3 265 B7R1.4 CC1=NNC=C1Br NO15947 [0,1,0,0,0,0|2,0,0]=3 266 B7R1.4 CC1=NNC=C1I NO22358 [0,1,0,0,0,0|2,0,0]=3 267 B7R1.4 CC1=NOC=C1N NO17073 [0,1,0,0,0,0|2,0,0]=3 268 B7R1.4 CN1C=CN=C1I NO21609 [0,1,0,0,0,0|3,0,0]=4 269 B7R1.4 CN1C=NC=C1Br NO17783 [0,1,0,0,0,0|2,0,1]=4 270 B7R1.4 CN1C=NC=C1I NO16077 [0,1,0,0,0,0|2,0,1]=4 271 B7R1.4 CN1C=NC=C1N NO17122 [0,1,0,0,0,0|2,0,1]=4 272 B7R1.4 CN1CC=CC1=O DY717447 [0,1,0,0,0,0|3,0,0]=4 273 B7R1.4 CN1N=CC=C1Br NO12124 [0,1,0,0,0,0|2,0,0]=3 274 B7R1.4 CN1N=CC=C1N NO22609 [0,1,0,0,0,0|2,0,0]=3 275 B7R1.4 CN1N=CC=C1O NO10399 [0,1,0,0,0,0|2,0,0]=3 276 B7R1.4 CN1N=CCC1=O NO15601 [0,1,0,0,0,0|2,0,0]=3 277 B7R1.4 ClC1=C(Br)C=CS1 NO22555 [0,1,0,0,0,0|2,0,0]=3 278 B7R1.4 NC1=CC=NN1Br DY645088 [0,1,0,0,0,0|3,0,0]=4 279 B7R1.4 NC1=CNN=C1N DY529047 [0,1,0,0,0,0|3,0,0]=4 280 B7R1.4 NC1=NNC=C1Cl DY648163 [0,1,0,0,0,0|3,0,0]=4 281 B7R1.4 NC1=NON=C1N NO21924 [0,1,0,0,0,0|3,0,0]=4 282 B5R0.1 C=C(C)CCBr NO14513 [0,0,1,0,0,0|2,0,1]=4 283 B5R0.1 CC(=O)\C=N\O NO11520 [0,0,1,0,0,0|3,0,0]=4 284 B5R0.1 CC(=O)\C=N\O NO18968 [0,0,1,0,0,0|3,0,0]=4 285 B5R0.1 CC(C)=CCBr DY41900 [0,0,1,0,0,0|3,0,0]=4 286 B5R0.1 CC(C)=CCCl DY460578 [0,0,1,0,0,0|3,0,0]=4 287 B5R0.1 CC(C)=C[SiH2]Cl DY822351 [0,0,1,0,0,0|3,0,0]=4 288 B5R0.1 CCOC(C)=N DY500026 [0,0,1,0,0,0|2,0,1]=4 289 B5R0.1 CSCC(=N)N DY504363 [0,0,1,0,0,0|1,0,2]=4 290 B5R0.1 C\C(N)=C/C#N DY506903 [0,0,1,0,0,0|2,0,1]=4 291 B5R0.2 C\C=C\CCO DY799773 [0,0,1,0,0,0|2,0,1]=4 292 B5R1.2 O=C1CSC1 NO13345 [0,0,0,0,1,0|1,0,2]=4 293 B7R1.3 BrC1=CC=CN=C1 NO19218 [0,0,0,0,0,1|2,0,0]=3 294 B7R1.3 BrC1=CC=NC=C1 NO13376 [0,0,0,0,0,1|3,0,0]=4 295 B7R1.3 BrC1=CN=CN=C1 NO22560 [0,0,0,0,0,1|2,0,0]=3 296 B7R1.3 BrC1=NC=CC=C1 NO17815 [0,0,0,0,0,1|2,0,0]=3 297 B7R1.3 BrC1=NC=CC=N1 NO13369 [0,0,0,0,0,1|2,0,0]=3 298 B7R1.3 BrC1=NC=CN=C1 NO15000 [0,0,0,0,0,1|2,0,0]=3 299 B7R1.3 CC1=CC=CN=N1 NO22374 [0,0,0,0,0,1|1,0,0]=2 300 B7R1.3 CC1=CN=CN=C1 NO18851 [0,0,0,0,0,1|1,0,0]=2 301 B7R1.3 CC1=CN=NC=C1 NO22983 [0,0,0,0,0,1|2,0,0]=3 302 B7R1.3 CC1=NC=NC=C1 NO19795 [0,0,0,0,0,1|1,0,0]=2 303 B7R1.3 C[N+]1=CC=CC=C1 NO17683 [0,0,0,0,0,1|3,0,0]=4 304 B7R1.3 ClC1=CC=NC=C1 DY715154 [0,0,0,0,0,1|3,0,0]=4 305 B7R1.3 ClC1=CC=NC=C1 NO13378 [0,0,0,0,0,1|3,0,0]=4 306 B7R1.3 ClC1=CN=CN=C1 NO15471 [0,0,0,0,0,1|2,0,0]=3 307 B7R1.3 ClC1=CN=NC=C1 DY427202 [0,0,0,0,0,1|3,0,0]=4 308 B7R1.3 ClC1=NC=CC=C1 DY20672 [0,0,0,0,0,1|2,0,0]=3 309 B7R1.3 ClC1=NC=CC=N1 DY10446 [0,0,0,0,0,1|2,0,0]=3 310 B7R1.3 ClC1=NC=CC=N1 DY693436 [0,0,0,0,0,1|2,0,0]=3 311 B7R1.3 ClC1=NC=CN=C1 NO15454 [0,0,0,0,0,1|2,0,0]=3 312 B7R1.3 FC1=CC=CC=C1 DY41489 [0,0,0,0,0,1|3,0,0]=4 313 B7R1.3 FC1=CC=CN=C1 DY20006 [0,0,0,0,0,1|2,0,0]=3 314 B7R1.3 FC1=CC=CN=N1 DY736850 [0,0,0,0,0,1|2,0,0]=3 315 B7R1.3 FC1=NC=CC=C1 DY20005 [0,0,0,0,0,1|2,0,0]=3 316 B7R1.3 FC1=NC=CC=N1 DY429402 [0,0,0,0,0,1|2,0,0]=3 317 B7R1.3 IC1=CC=CC=C1 NO19958 [0,0,0,0,0,1|3,0,0]=4 318 B7R1.3 IC1=CN=CN=C1 NO12325 [0,0,0,0,0,1|2,0,0]=3 319 B7R1.3 IC1=NC=CC=C1 NO14565 [0,0,0,0,0,1|2,0,0]=3 320 B7R1.3 IC1=NC=CC=N1 NO14968 [0,0,0,0,0,1|2,0,0]=3 321 B7R1.3 IC1=NC=CN=C1 DY425096 [0,0,0,0,0,1|2,0,0]=3 322 B7R1.3 NC1=CC=CN=C1 NO19073 [0,0,0,0,0,1|2,0,0]=3 323 B7R1.3 NC1=CC=CN=N1 NO18539 [0,0,0,0,0,1|2,0,0]=3 324 B7R1.3 NC1=CC=CN=N1 NO19775 [0,0,0,0,0,1|2,0,0]=3 325 B7R1.3 NC1=CC=NC=C1 DY20017 [0,0,0,0,0,1|3,0,0]=4 326 B7R1.3 NC1=CN=CN=C1 NO18383 [0,0,0,0,0,1|2,0,0]=3 327 B7R1.3 NC1=CN=NC=C1 NO18154 [0,0,0,0,0,1|3,0,0]=4 328 B7R1.3 NC1=NC=CC=N1 NO13370 [0,0,0,0,0,1|2,0,0]=3 329 B7R1.3 NC1=NC=CN=C1 NO16102 [0,0,0,0,0,1|2,0,0]=3 330 B7R1.3 NC1=NC=CN=N1 DY459438 [0,0,0,0,0,1|3,0,0]=4 331 B7R1.3 NC1=NC=NC=C1 DY696160 [0,0,0,0,0,1|2,0,0]=3 332 B7R1.3 NC1=NC=NC=C1 NO19707 [0,0,0,0,0,1|2,0,0]=3 333 B7R1.3 O=C1C=CC=CN1 NO18724 [0,0,0,0,0,1|2,0,1]=4 334 B7R1.3 O=C1C=CC=NN1 NO19793 [0,0,0,0,0,1|2,0,0]=3 335 B7R1.3 O=C1C=CN=CN1 NO19105 [0,0,0,0,0,1|2,0,1]=4 336 B7R1.3 O=c1ccocc1 DY460890 [0,0,0,0,0,1|2,1,0]=4 337 B7R1.3 OC1=CC=CN=C1 NO17813 [0,0,0,0,0,1|2,0,0]=3 338 B7R1.3 OC1=CC=NC=C1 NO19216 [0,0,0,0,0,1|3,0,0]=4 339 B7R1.3 OC1=CN=CN=C1 NO10407 [0,0,0,0,0,1|2,0,0]=3 340 B7R1.3 OC1=CN=NC=C1 DY538881 [0,0,0,0,0,1|3,0,0]=4 341 B7R1.3 OC1=CN=NC=C1 NO17666 [0,0,0,0,0,1|3,0,0]=4 342 B7R1.3 OC1=NC=CC=C1 NO21602 [0,0,0,0,0,1|2,0,0]=3 343 B7R1.3 OC1=NC=CC=N1 NO14246 [0,0,0,0,0,1|2,0,0]=3 344 B7R1.3 OC1=NC=CC=N1 NO16090 [0,0,0,0,0,1|2,0,0]=3 345 B7R1.3 OC1=NC=CN=C1 NO21601 [0,0,0,0,0,1|2,0,0]=3 346 B7R1.3 OC1=NC=NC=C1 DY737960 [0,0,0,0,0,1|2,0,0]=3 347 B7R1.3 OC1=NC=NC=C1 NO15728 [0,0,0,0,0,1|2,0,0]=3 348 B7R1.3 SC1=CC=CN=N1 DY546327 [0,0,0,0,0,1|2,0,0]=3 349 B7R1.3 [15NH2]C1=CC=CC=C1 DY454761 [0,0,0,0,0,1|3,0,0]=4 350 B7R1.3 [Hg+]C1=CC=CC=C1 DY822438 [0,0,0,0,0,1|3,0,0]=4 351 B4R0.1 C=CC(N)=O DY822472 [1,0,1,0,0,0|1,0,1]=4 352 B4R0.1 CC(C)=NO NO10884 [1,0,1,0,0,0|0,1,1]=4 353 B4R0.1 C\C(N)=N\O NO10879 [1,0,1,0,0,0|1,1,0]=4 354 B4R0.1 C\C=C(/C)Br DY10255 [1,0,1,0,0,0|1,0,1]=4 355 B4R0.2 C#C\C=C\C DY822380 [1,0,1,0,0,0|1,0,1]=4 356 B8R1.2 BrCC1=CC=CN=N1 NO15758 [0,1,0,0,0,1|1,0,0]=3 357 B8R1.2 BrCC1=CC=NC=C1 NO22459 [0,1,0,0,0,1|2,0,0]=4 358 B8R1.2 BrCC1=CN=CN=C1 NO17938 [0,1,0,0,0,1|1,0,0]=3 359 B8R1.2 BrCC1=NC=CN=C1 DY710893 [0,1,0,0,0,1|1,0,0]=3 360 B8R1.2 C#CC1=CC=CN=N1 DY102367 [0,1,0,0,0,1|1,0,1]=4 361 B8R1.2 C#CC1=CN=CN=C1 NO12636 [0,1,0,0,0,1|1,0,1]=4 362 B8R1.2 C#CC1=NC=CC=C1 NO21539 [0,1,0,0,0,1|1,0,1]=4 363 B8R1.2 C#CC1=NC=CC=N1 NO12611 [0,1,0,0,0,1|1,0,1]=4 364 B8R1.2 C=CC1=CC=CN=C1 DY507011 [0,1,0,0,0,1|1,0,1]=4 365 B8R1.2 CCC1=CC=CN=C1 NO22277 [0,1,0,0,0,1|1,0,0]=3 366 B8R1.2 CCC1=NC=CN=C1 NO21534 [0,1,0,0,0,1|1,0,0]=3 367 B8R1.2 CNC1=CC=CC=C1 NO11792 [0,1,0,0,0,1|2,0,0]=4 368 B8R1.2 CNC1=CC=CN=C1 NO13856 [0,1,0,0,0,1|1,0,0]=3 369 B8R1.2 CNC1=CN=CN=C1 DY553401 [0,1,0,0,0,1|1,0,0]=3 370 B8R1.2 COC1=CC=CN=C1 NO22348 [0,1,0,0,0,1|1,0,0]=3 371 B8R1.2 COC1=CC=CN=N1 NO22347 [0,1,0,0,0,1|1,0,0]=3 372 B8R1.2 COC1=CC=NC=C1 NO19206 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.2 COC1=CC=[C-]C=C1 DY747109 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.2 COC1=NC=CC=C1 NO18780 [0,1,0,0,0,1|1,0,0]=3 375 B8R1.2 COC1=NC=CN=C1 NO17887 [0,1,0,0,0,1|1,0,0]=3 376 B8R1.2 CSC1=NC=CC=N1 DY573207 [0,1,0,0,0,1|1,0,0]=3 377 B8R1.2 CSC1=NC=CN=C1 DY541389 [0,1,0,0,0,1|1,0,0]=3 378 B8R1.2 ClCC1=CC=CN=C1 NO19291 [0,1,0,0,0,1|1,0,0]=3 379 B8R1.2 ClCC1=CC=CN=N1 NO16004 [0,1,0,0,0,1|1,0,0]=3 380 B8R1.2 ClCC1=NC=CC=C1 NO19289 [0,1,0,0,0,1|1,0,0]=3 381 B8R1.2 ClCC1=NC=CC=N1 NO20902 [0,1,0,0,0,1|1,0,0]=3 382 B8R1.2 ICC1=CC=CC=C1 NO11000 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.2 N#CC1=CN=CC=C1 NO22263 [0,1,0,0,0,1|1,0,1]=4 384 B8R1.2 N#CC1=CN=CN=C1 NO14309 [0,1,0,0,0,1|1,0,1]=4 385 B8R1.2 N#CC1=NC=CC=C1 NO19642 [0,1,0,0,0,1|1,0,1]=4 386 B8R1.2 N#CC1=NC=CC=N1 NO17385 [0,1,0,0,0,1|1,0,1]=4 387 B8R1.2 N#CC1=NC=CN=C1 NO17380 [0,1,0,0,0,1|1,0,1]=4 388 B8R1.2 N#CC1=NC=NC=C1 NO12430 [0,1,0,0,0,1|1,0,1]=4 389 B8R1.2 NCC1=CC=CN=C1 NO14226 [0,1,0,0,0,1|1,0,0]=3 390 B8R1.2 NCC1=CC=NC=C1 NO11906 [0,1,0,0,0,1|2,0,0]=4 391 B8R1.2 NCC1=CC=NC=C1 NO19023 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.2 NCC1=CN=NC=C1 NO15014 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.2 NCC1=CN=NC=C1 NO15515 [0,1,0,0,0,1|2,0,0]=4 394 B8R1.2 NCC1=NC=CC=C1 DY663911 [0,1,0,0,0,1|1,0,0]=3 395 B8R1.2 NCC1=NC=CC=N1 NO21304 [0,1,0,0,0,1|1,0,0]=3 396 B8R1.2 NCC1=NC=CN=C1 DY710323 [0,1,0,0,0,1|1,0,0]=3 397 B8R1.2 NCC1=NC=CN=C1 NO19691 [0,1,0,0,0,1|1,0,0]=3 398 B8R1.2 NCC1=NC=CN=C1 NO20245 [0,1,0,0,0,1|1,0,0]=3 399 B8R1.2 NNC1=CC=CN=C1 NO15491 [0,1,0,0,0,1|2,0,0]=4 400 B8R1.2 NNC1=CC=CN=C1 NO22308 [0,1,0,0,0,1|2,0,0]=4 401 B8R1.2 NNC1=NC=CC=C1 NO15589 [0,1,0,0,0,1|2,0,0]=4 402 B8R1.2 NNC1=NC=CC=C1 NO21573 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.2 O=CC1=CN=CC=C1 NO19090 [0,1,0,0,0,1|1,0,1]=4 404 B8R1.2 O=CC1=CN=CN=C1 NO19643 [0,1,0,0,0,1|1,0,1]=4 405 B8R1.2 O=CC1=NC=CC=C1 NO18610 [0,1,0,0,0,1|1,0,1]=4 406 B8R1.2 O=CC1=NC=CN=C1 NO18375 [0,1,0,0,0,1|1,0,1]=4 407 B8R1.2 OCC1=CC=CN=C1 NO22409 [0,1,0,0,0,1|1,0,0]=3 408 B8R1.2 OCC1=CC=CN=N1 NO21870 [0,1,0,0,0,1|1,0,0]=3 409 B8R1.2 OCC1=CC=NC=C1 NO19163 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.2 OCC1=CN=CN=C1 DY444370 [0,1,0,0,0,1|1,0,0]=3 411 B8R1.2 OCC1=NC=CC=C1 NO19164 [0,1,0,0,0,1|1,0,0]=3 412 B8R1.2 OCC1=NC=CC=N1 NO19924 [0,1,0,0,0,1|1,0,0]=3 413 B8R1.2 OCC1=NC=CN=C1 NO21749 [0,1,0,0,0,1|1,0,0]=3 414 B8R1.2 OCC1=NC=NC=C1 NO11915 [0,1,0,0,0,1|1,0,0]=3 415 B8R1.3 BrC1=CC=C(Br)N=N1 NO19665 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.3 BrC1=CN=C(Br)C=C1 NO21792 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.3 BrC1=CN=C(Br)C=N1 NO18888 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.3 BrC1=CN=C(Br)N=C1 NO14147 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.3 BrC1=CN=C(I)C=C1 NO22029 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.3 BrC1=CN=C(I)N=C1 NO15284 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.3 BrC1=NC=C(I)C=C1 NO15803 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.3 BrC1=NC=C(I)C=N1 DY432399 [0,1,0,0,0,1|2,0,0]=4 423 B8R1.3 CC1=CC=C(Br)C=C1 DY20922 [0,1,0,0,0,1|2,0,0]=4 424 B8R1.3 CC1=CC=C(Br)N=N1 NO12937 [0,1,0,0,0,1|1,0,0]=3 425 B8R1.3 CC1=CC=C(Cl)N=N1 NO17682 [0,1,0,0,0,1|1,0,0]=3 426 B8R1.3 CC1=CC=C(N)C=C1 NO11898 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.3 CC1=CC=C(N)C=N1 NO19519 [0,1,0,0,0,1|1,0,0]=3 428 B8R1.3 CC1=CN=C(Br)C=C1 NO21837 [0,1,0,0,0,1|1,0,0]=3 429 B8R1.3 CC1=CN=C(Br)N=C1 NO12207 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.3 CC1=CN=C(C)C=C1 NO21154 [0,1,0,0,0,1|1,0,0]=3 431 B8R1.3 CC1=CN=C(Cl)C=C1 NO19287 [0,1,0,0,0,1|1,0,0]=3 432 B8R1.3 CC1=CN=C(Cl)C=N1 NO21471 [0,1,0,0,0,1|1,0,0]=3 433 B8R1.3 CC1=CN=C(Cl)N=C1 NO19723 [0,1,0,0,0,1|1,0,0]=3 434 B8R1.3 CC1=CN=C(F)C=C1 NO21872 [0,1,0,0,0,1|1,0,0]=3 435 B8R1.3 CC1=CN=C(N)C=C1 NO21820 [0,1,0,0,0,1|1,0,0]=3 436 B8R1.3 CC1=CN=C(N)C=N1 NO18361 [0,1,0,0,0,1|1,0,0]=3 437 B8R1.3 CC1=CN=C(N)N=C1 NO21761 [0,1,0,0,0,1|1,0,0]=3 438 B8R1.3 CC1=CN=C(O)C=C1 NO16275 [0,1,0,0,0,1|1,0,0]=3 439 B8R1.3 CC1=CN=C(O)C=N1 NO12289 [0,1,0,0,0,1|1,0,0]=3 440 B8R1.3 CC1=CN=C(S)N=C1 DY584327 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.3 CC1=CNC(=O)C=C1 NO21591 [0,1,0,0,0,1|1,0,1]=4 442 B8R1.3 CC1=CNC(=S)N=C1 DY554409 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.3 CC1=NC=C(Br)C=C1 NO22031 [0,1,0,0,0,1|1,0,0]=3 444 B8R1.3 CC1=NC=C(Cl)C=C1 DY568875 [0,1,0,0,0,1|1,0,0]=3 445 B8R1.3 CC1=NC=C(Cl)C=N1 NO10333 [0,1,0,0,0,1|1,0,0]=3 446 B8R1.3 CC1=NC=C(N)C=N1 NO14284 [0,1,0,0,0,1|1,0,0]=3 447 B8R1.3 CC1=NC=C(O)C=N1 NO10401 [0,1,0,0,0,1|1,0,0]=3 448 B8R1.3 CC1=NNC(=O)C=C1 DY736970 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.3 CC1=NNC(=O)C=C1 NO19836 [0,1,0,0,0,1|1,0,0]=3 450 B8R1.3 ClC1=CC=C(Cl)N=N1 NO13684 [0,1,0,0,0,1|2,0,0]=4 451 B8R1.3 ClC1=CC=C(I)N=N1 NO22233 [0,1,0,0,0,1|2,0,0]=4 452 B8R1.3 ClC1=CN=C(Br)C=C1 NO17275 [0,1,0,0,0,1|2,0,0]=4 453 B8R1.3 ClC1=CN=C(Cl)C=C1 NO13779 [0,1,0,0,0,1|2,0,0]=4 454 B8R1.3 ClC1=CN=C(Cl)C=N1 NO18838 [0,1,0,0,0,1|2,0,0]=4 455 B8R1.3 ClC1=CN=C(Cl)N=C1 NO19746 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.3 ClC1=CN=C(I)C=C1 NO18901 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.3 ClC1=NC=C(Br)C=C1 NO14919 [0,1,0,0,0,1|2,0,0]=4 458 B8R1.3 ClC1=NC=C(Br)C=N1 NO15254 [0,1,0,0,0,1|2,0,0]=4 459 B8R1.3 ClC1=NC=C(I)C=C1 NO17315 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.3 ClC1=NC=C(I)C=N1 NO14950 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.3 ClC1=NC=C(I)N=C1 NO12211 [0,1,0,0,0,1|2,0,0]=4 462 B8R1.3 FC1=CC=C(Cl)N=N1 NO17436 [0,1,0,0,0,1|2,0,0]=4 463 B8R1.3 FC1=CC=C(F)N=N1 NO12455 [0,1,0,0,0,1|2,0,0]=4 464 B8R1.3 FC1=CN=C(Br)C=C1 NO21836 [0,1,0,0,0,1|2,0,0]=4 465 B8R1.3 FC1=CN=C(Cl)C=C1 NO21851 [0,1,0,0,0,1|2,0,0]=4 466 B8R1.3 FC1=CN=C(Cl)N=C1 NO15365 [0,1,0,0,0,1|2,0,0]=4 467 B8R1.3 FC1=CN=C(I)C=C1 NO10383 [0,1,0,0,0,1|2,0,0]=4 468 B8R1.3 FC1=NC=C(Br)C=C1 NO22028 [0,1,0,0,0,1|2,0,0]=4 469 B8R1.3 FC1=NC=C(Br)C=N1 DY10154 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.3 FC1=NC=C(Cl)C=C1 NO17313 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.3 FC1=NC=C(I)C=C1 NO17371 [0,1,0,0,0,1|2,0,0]=4 472 B8R1.3 NC1=CC=C(Br)N=C1 NO21910 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.3 NC1=CC=C(Br)N=N1 NO10641 [0,1,0,0,0,1|2,0,0]=4 474 B8R1.3 NC1=CC=C(Cl)N=C1 NO21849 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.3 NC1=CC=C(Cl)N=N1 NO15607 [0,1,0,0,0,1|2,0,0]=4 476 B8R1.3 NC1=CC=C(F)N=C1 NO22740 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.3 NC1=CC=C(F)N=N1 NO17801 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.3 NC1=CC=C(O)C=N1 NO13087 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.3 NC1=CC=C(O)C=N1 NO18367 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.3 NC1=CN=C(Br)N=C1 NO21412 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.3 NC1=CN=C(N)C=C1 NO15186 [0,1,0,0,0,1|2,0,0]=4 482 B8R1.3 NC1=CN=C(N)C=N1 DY528117 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.3 NC1=CN=C(N)C=N1 DY710881 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.3 NC1=CN=C(N)N=C1 NO19880 [0,1,0,0,0,1|2,0,0]=4 485 B8R1.3 NC1=CN=C(O)C=C1 NO10211 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.3 NC1=CN=C(O)C=C1 NO18129 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.3 NC1=NC=C(Br)N=C1 NO15187 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.3 NC1=NC=C(Cl)C=C1 NO21816 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.3 NC1=NC=C(Cl)C=N1 NO15629 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.3 NC1=NC=C(Cl)N=C1 NO18243 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.3 NC1=NC=C(F)C=C1 NO21818 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.3 NC1=NC=C(F)C=N1 NO21760 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.3 NC1=NC=C(I)C=C1 NO17736 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.3 NC1=NC=C(O)C=N1 NO17222 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.3 O=C1C=CC(Br)=NN1 NO18174 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.3 O=C1C=CC(Cl)=NN1 NO19694 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.3 O=C1C=NC(F)=CN1 DY822212 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.3 O=C1N=CC(Br)=CN1 NO10266 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.3 O=C1N=CC(I)=CN1 NO10410 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.3 OC1=CC=C(Br)N=C1 NO14988 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.3 OC1=CC=C(Cl)N=C1 NO21853 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.3 OC1=CC=C(F)N=C1 NO14991 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.3 OC1=CC=C(O)N=N1 NO13566 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.3 OC1=CN=C(Cl)N=C1 NO14550 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.3 OC1=CN=C(O)C=C1 NO21147 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.3 OC1=NC=C(Br)C=C1 NO22706 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.3 OC1=NC=C(Br)C=N1 NO15434 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.3 OC1=NC=C(Br)N=C1 NO19024 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.3 OC1=NC=C(Cl)N=C1 NO19402 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.3 OC1=NC=C(I)C=C1 NO13623 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.3 SC1=NC=C(Cl)C=C1 DY659984 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.4 BrC1=CC(Br)=NC=C1 NO15110 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.4 BrC1=CC(Br)=NC=N1 NO22500 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.4 BrC1=CC(I)=CN=C1 NO13981 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.4 BrC1=CC=CC(Br)=N1 NO21793 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.4 BrC1=CN=CC(Br)=C1 NO21896 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.4 BrC1=CN=CC(Br)=N1 NO12199 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.4 BrC1=NC(Br)=NC=C1 NO10554 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.4 BrC1=NC=CC(I)=C1 NO17279 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.4 CC1=CC(=O)NN=C1 NO10446 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.4 CC1=CC(Br)=NC=N1 NO13070 [0,1,0,0,0,1|1,0,0]=3 522 B8R1.4 CC1=CC(C)=NC=N1 NO19849 [0,1,0,0,0,1|1,0,0]=3 523 B8R1.4 CC1=CC(Cl)=NC=C1 NO23009 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.4 CC1=CC(Cl)=NC=N1 NO22963 [0,1,0,0,0,1|1,0,0]=3 525 B8R1.4 CC1=CC(F)=NC=C1 NO21868 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.4 CC1=CC(N)=NC=C1 NO15630 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.4 CC1=CC(N)=NC=N1 NO12473 [0,1,0,0,0,1|1,0,0]=3 528 B8R1.4 CC1=CC(O)=NC=C1 NO23034 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.4 CC1=CC(O)=NC=N1 NO19796 [0,1,0,0,0,1|1,0,0]=3 530 B8R1.4 CC1=CC=CC(Br)=C1 NO19957 [0,1,0,0,0,1|2,0,0]=4 531 B8R1.4 CC1=CC=CC(Br)=N1 NO21841 [0,1,0,0,0,1|1,0,0]=3 532 B8R1.4 CC1=CC=CC(C)=N1 NO18597 [0,1,0,0,0,1|1,0,0]=3 533 B8R1.4 CC1=CC=CC(Cl)=N1 NO23010 [0,1,0,0,0,1|1,0,0]=3 534 B8R1.4 CC1=CC=CC(F)=C1 NO19910 [0,1,0,0,0,1|2,0,0]=4 535 B8R1.4 CC1=CC=CC(F)=N1 NO19330 [0,1,0,0,0,1|1,0,0]=3 536 B8R1.4 CC1=CC=CC(I)=C1 NO19968 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.4 CC1=CC=CC(N)=C1 NO11698 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.4 CC1=CC=CC(N)=N1 NO18078 [0,1,0,0,0,1|1,0,0]=3 539 B8R1.4 CC1=CN=CC(C)=C1 DY714404 [0,1,0,0,0,1|1,0,0]=3 540 B8R1.4 CC1=CN=CC(Cl)=C1 NO13884 [0,1,0,0,0,1|1,0,0]=3 541 B8R1.4 CC1=CN=CC(Cl)=N1 NO21486 [0,1,0,0,0,1|1,0,0]=3 542 B8R1.4 CC1=CN=CC(F)=C1 NO19335 [0,1,0,0,0,1|1,0,0]=3 543 B8R1.4 CC1=CN=CC(N)=C1 NO14172 [0,1,0,0,0,1|1,0,0]=3 544 B8R1.4 CC1=CN=CC(O)=C1 NO14332 [0,1,0,0,0,1|1,0,0]=3 545 B8R1.4 CC1=CN=CC(O)=N1 NO21596 [0,1,0,0,0,1|1,0,0]=3 546 B8R1.4 CC1=NC(Br)=NC=C1 NO17649 [0,1,0,0,0,1|1,0,0]=3 547 B8R1.4 CC1=NC(Cl)=NC=C1 NO13591 [0,1,0,0,0,1|1,0,0]=3 548 B8R1.4 CC1=NC(O)=NC=C1 NO21586 [0,1,0,0,0,1|1,0,0]=3 549 B8R1.4 CC1=NC=CC(=O)N1 NO22425 [0,1,0,0,0,1|1,0,0]=3 550 B8R1.4 CC1=NC=CC(Br)=C1 DY658195 [0,1,0,0,0,1|1,0,0]=3 551 B8R1.4 CC1=NC=CC(Br)=C1 NO13967 [0,1,0,0,0,1|1,0,0]=3 552 B8R1.4 CC1=NC=CC(Cl)=C1 NO14214 [0,1,0,0,0,1|1,0,0]=3 553 B8R1.4 CC1=NC=CC(Cl)=N1 DY694223 [0,1,0,0,0,1|1,0,0]=3 554 B8R1.4 CC1=NC=CC(Cl)=N1 NO22751 [0,1,0,0,0,1|1,0,0]=3 555 B8R1.4 CC1=NC=CC(F)=C1 NO15882 [0,1,0,0,0,1|1,0,0]=3 556 B8R1.4 CC1=NC=CC(I)=C1 NO22899 [0,1,0,0,0,1|1,0,0]=3 557 B8R1.4 CC1=NC=CC(N)=C1 NO19520 [0,1,0,0,0,1|1,0,0]=3 558 B8R1.4 CC1=NC=CC(N)=N1 DY693586 [0,1,0,0,0,1|1,0,0]=3 559 B8R1.4 CC1=NC=CC(N)=N1 NO13322 [0,1,0,0,0,1|1,0,0]=3 560 B8R1.4 CC1=NC=CC(O)=C1 NO22867 [0,1,0,0,0,1|1,0,0]=3 561 B8R1.4 CC1=NC=CC(O)=N1 NO15583 [0,1,0,0,0,1|1,0,0]=3 562 B8R1.4 ClC1=CC(Br)=NC=C1 NO13973 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.4 ClC1=CC(Cl)=NC=C1 NO17291 [0,1,0,0,0,1|2,0,0]=4 564 B8R1.4 ClC1=CC(Cl)=NC=N1 NO21954 [0,1,0,0,0,1|2,0,0]=4 565 B8R1.4 ClC1=CC=CC(Br)=N1 NO14668 [0,1,0,0,0,1|2,0,0]=4 566 B8R1.4 ClC1=CC=CC(Cl)=N1 NO18899 [0,1,0,0,0,1|2,0,0]=4 567 B8R1.4 ClC1=CN=CC(Br)=C1 NO15808 [0,1,0,0,0,1|2,0,0]=4 568 B8R1.4 ClC1=CN=CC(Cl)=C1 NO14008 [0,1,0,0,0,1|2,0,0]=4 569 B8R1.4 ClC1=CN=CC(Cl)=N1 NO22559 [0,1,0,0,0,1|2,0,0]=4 570 B8R1.4 ClC1=CN=NC(Cl)=C1 NO21984 [0,1,0,0,0,1|2,0,0]=4 571 B8R1.4 ClC1=NC(Cl)=NC=C1 NO22557 [0,1,0,0,0,1|2,0,0]=4 572 B8R1.4 ClC1=NC(I)=NC=C1 DY694211 [0,1,0,0,0,1|2,0,0]=4 573 B8R1.4 ClC1=NC=CC(Br)=C1 NO21986 [0,1,0,0,0,1|2,0,0]=4 574 B8R1.4 ClC1=NC=CC(Br)=N1 DY21047 [0,1,0,0,0,1|2,0,0]=4 575 B8R1.4 ClC1=NC=CC(I)=C1 NO22695 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.4 ClC1=NC=NC(Cl)=N1 NO18930 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.4 FC1=CC(Br)=CN=C1 NO22034 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.4 FC1=CC(Br)=NC=C1 NO14190 [0,1,0,0,0,1|2,0,0]=4 579 B8R1.4 FC1=CC(Cl)=NC=C1 NO17300 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.4 FC1=CC(F)=NC=C1 NO19909 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.4 FC1=CC(I)=CN=C1 NO18467 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.4 FC1=CC=CC(Br)=N1 NO13708 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.4 FC1=CC=CC(Cl)=N1 NO18859 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.4 FC1=CC=CC(F)=N1 NO18752 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.4 FC1=CN=CC(Cl)=C1 NO19936 [0,1,0,0,0,1|2,0,0]=4 586 B8R1.4 FC1=CN=CC(F)=C1 NO13374 [0,1,0,0,0,1|2,0,0]=4 587 B8R1.4 FC1=NC(Cl)=NC=C1 DY429933 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.4 FC1=NC=CC(Br)=C1 NO17277 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.4 FC1=NC=CC(Cl)=C1 NO14178 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.4 FC1=NC=CC(I)=C1 NO13375 [0,1,0,0,0,1|2,0,0]=4 591 B8R1.4 IC1=CC(I)=NC=C1 DY451054 [0,1,0,0,0,1|2,0,0]=4 592 B8R1.4 IC1=CC=CC(I)=N1 NO18354 [0,1,0,0,0,1|2,0,0]=4 593 B8R1.4 NC1=CC(Br)=CN=C1 NO22730 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.4 NC1=CC(Br)=NC=C1 NO21962 [0,1,0,0,0,1|2,0,0]=4 595 B8R1.4 NC1=CC(Cl)=CN=C1 DY31090 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.4 NC1=CC(Cl)=NC=C1 NO21964 [0,1,0,0,0,1|2,0,0]=4 597 B8R1.4 NC1=CC(F)=CN=C1 NO13934 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.4 NC1=CC(N)=NC=C1 NO11909 [0,1,0,0,0,1|2,0,0]=4 599 B8R1.4 NC1=CC(O)=NC=C1 NO18280 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.4 NC1=CC=CC(N)=N1 NO13686 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.4 NC1=CN=CC(N)=C1 NO21958 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.4 NC1=CN=CC(N)=N1 NO15121 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.4 NC1=CN=CC(O)=C1 NO12372 [0,1,0,0,0,1|2,0,0]=4 604 B8R1.4 NC1=CN=CC(O)=C1 NO22080 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.4 NC1=CN=NC(Cl)=C1 NO13017 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.4 NC1=NC(=O)NC=C1 NO22211 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.4 NC1=NC(=O)NC=N1 NO22023 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.4 NC1=NC(Br)=CC=C1 NO17641 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.4 NC1=NC(Cl)=CC=C1 NO17675 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.4 NC1=NC(Cl)=CN=C1 DY20457 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.4 NC1=NC(F)=CC=C1 NO17727 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.4 NC1=NC(N)=NC=C1 NO22603 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.4 NC1=NC=CC(Br)=C1 NO16114 [0,1,0,0,0,1|2,0,0]=4 614 B8R1.4 NC1=NC=CC(Cl)=C1 NO17669 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.4 NC1=NC=CC(Cl)=N1 NO15619 [0,1,0,0,0,1|2,0,0]=4 616 B8R1.4 NC1=NC=CC(F)=C1 NO21251 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.4 NC1=NC=CC(I)=N1 NO12109 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.4 NC1=NC=CC(O)=C1 NO14161 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.4 NC1=NC=NC(Br)=C1 NO12354 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.4 NC1=NC=NC(Cl)=C1 NO15652 [0,1,0,0,0,1|2,0,0]=4 621 B8R1.4 NC1=NC=NC(I)=C1 NO12484 [0,1,0,0,0,1|2,0,0]=4 622 B8R1.4 NC1=NC=NC(O)=C1 NO22588 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.4 O=C1C=C(Cl)C=NN1 NO12688 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.4 O=C1C=C(I)C=NN1 NO12955 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.4 OC1=CC(Br)=NC=C1 NO14221 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.4 OC1=CC(Cl)=NC=C1 NO22712 [0,1,0,0,0,1|2,0,0]=4 627 B8R1.4 OC1=CC(F)=CN=C1 NO13932 [0,1,0,0,0,1|2,0,0]=4 628 B8R1.4 OC1=CC(F)=NC=C1 DY452176 [0,1,0,0,0,1|2,0,0]=4 629 B8R1.4 OC1=CC(O)=NC=N1 NO15744 [0,1,0,0,0,1|2,0,0]=4 630 B8R1.4 OC1=CN=CC(O)=C1 NO21992 [0,1,0,0,0,1|2,0,0]=4 631 B8R1.4 OC1=NC(Br)=CC=C1 NO14076 [0,1,0,0,0,1|2,0,0]=4 632 B8R1.4 OC1=NC(Cl)=CN=C1 NO12934 [0,1,0,0,0,1|2,0,0]=4 633 B8R1.4 OC1=NC=CC(Br)=C1 NO14220 [0,1,0,0,0,1|2,0,0]=4 634 B8R1.4 OC1=NC=CC(Cl)=C1 NO18294 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.4 OC1=NC=CC(F)=C1 NO21583 [0,1,0,0,0,1|2,0,0]=4 636 B8R1.4 OC1=NC=NC(Br)=C1 NO14406 [0,1,0,0,0,1|2,0,0]=4 637 B8R1.4 SC1=CC(Cl)=NC=C1 DY712051 [0,1,0,0,0,1|2,0,0]=4 638 B8R1.5 BrC1=C(Br)C=NC=C1 NO13628 [0,1,0,0,0,1|2,0,0]=4 639 B8R1.5 BrC1=CC=CN=C1Br NO22670 [0,1,0,0,0,1|2,0,0]=4 640 B8R1.5 BrC1=NC=CC=C1I DY110926 [0,1,0,0,0,1|2,0,0]=4 641 B8R1.5 BrC1=NC=CN=C1Br NO12573 [0,1,0,0,0,1|2,0,0]=4 642 B8R1.5 CC1=C(Br)C=CC=C1 DY20187 [0,1,0,0,0,1|2,0,0]=4 643 B8R1.5 CC1=C(Br)C=CN=C1 NO13416 [0,1,0,0,0,1|1,0,0]=3 644 B8R1.5 CC1=C(Br)C=NC=C1 NO21916 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.5 CC1=C(Cl)C=CN=C1 DY460902 [0,1,0,0,0,1|1,0,0]=3 646 B8R1.5 CC1=C(Cl)C=CN=C1 NO18038 [0,1,0,0,0,1|1,0,0]=3 647 B8R1.5 CC1=C(Cl)C=NC=C1 NO15751 [0,1,0,0,0,1|2,0,0]=4 648 B8R1.5 CC1=C(F)C=CC=C1 DY41519 [0,1,0,0,0,1|2,0,0]=4 649 B8R1.5 CC1=C(F)C=NC=C1 NO19332 [0,1,0,0,0,1|2,0,0]=4 650 B8R1.5 CC1=C(I)C=CC=C1 NO19198 [0,1,0,0,0,1|2,0,0]=4 651 B8R1.5 CC1=C(N)C=CN=C1 NO19521 [0,1,0,0,0,1|1,0,0]=3 652 B8R1.5 CC1=C(N)C=NC=C1 NO21907 [0,1,0,0,0,1|2,0,0]=4 653 B8R1.5 CC1=C(O)C=CN=C1 NO13965 [0,1,0,0,0,1|1,0,0]=3 654 B8R1.5 CC1=CC=CC=C1C DY41549 [0,1,0,0,0,1|2,0,0]=4 655 B8R1.5 CC1=CC=CC=C1N NO20592 [0,1,0,0,0,1|2,0,0]=4 656 B8R1.5 CC1=CC=CC=C1O NO11813 [0,1,0,0,0,1|2,0,0]=4 657 B8R1.5 CC1=CC=CN=C1Br NO23002 [0,1,0,0,0,1|1,0,0]=3 658 B8R1.5 CC1=CC=CN=C1C NO21050 [0,1,0,0,0,1|1,0,0]=3 659 B8R1.5 CC1=CC=CN=C1Cl NO13857 [0,1,0,0,0,1|1,0,0]=3 660 B8R1.5 CC1=CC=CN=C1F NO19328 [0,1,0,0,0,1|1,0,0]=3 661 B8R1.5 CC1=CC=CN=C1N NO13775 [0,1,0,0,0,1|1,0,0]=3 662 B8R1.5 CC1=CN=CN=C1Br NO12572 [0,1,0,0,0,1|1,0,0]=3 663 B8R1.5 CC1=CN=CN=C1Cl NO19938 [0,1,0,0,0,1|1,0,0]=3 664 B8R1.5 CC1=CN=CN=C1N NO12501 [0,1,0,0,0,1|1,0,0]=3 665 B8R1.5 CC1=CN=CN=C1O NO10459 [0,1,0,0,0,1|1,0,0]=3 666 B8R1.5 CC1=CNC=CC1=O DY502725 [0,1,0,0,0,1|1,0,1]=4 667 B8R1.5 CC1=NC=CC=C1Br DY20012 [0,1,0,0,0,1|1,0,0]=3 668 B8R1.5 CC1=NC=CC=C1F NO19850 [0,1,0,0,0,1|1,0,0]=3 669 B8R1.5 CC1=NC=CC=C1N NO19518 [0,1,0,0,0,1|1,0,0]=3 670 B8R1.5 CC1=NC=CN=C1Br NO12416 [0,1,0,0,0,1|1,0,0]=3 671 B8R1.5 CC1=NC=CN=C1C NO10108 [0,1,0,0,0,1|1,0,0]=3 672 B8R1.5 CC1=NC=CN=C1Cl NO17680 [0,1,0,0,0,1|1,0,0]=3 673 B8R1.5 CC1=NC=CN=C1N NO21232 [0,1,0,0,0,1|1,0,0]=3 674 B8R1.5 CC1=NC=CN=C1O NO21577 [0,1,0,0,0,1|1,0,0]=3 675 B8R1.5 CC1=NC=NC=C1Br NO11920 [0,1,0,0,0,1|1,0,0]=3 676 B8R1.5 CC1=NC=NC=C1I NO12766 [0,1,0,0,0,1|1,0,0]=3 677 B8R1.5 CC1=NC=NC=C1N NO19908 [0,1,0,0,0,1|1,0,0]=3 678 B8R1.5 CN1N=CC=CC1=O DY736910 [0,1,0,0,0,1|2,0,0]=4 679 B8R1.5 ClC1=C(Br)C=CN=C1 NO15809 [0,1,0,0,0,1|2,0,0]=4 680 B8R1.5 ClC1=C(Cl)C=NC=C1 NO14992 [0,1,0,0,0,1|2,0,0]=4 681 B8R1.5 ClC1=C(Cl)N=NC=C1 DY102217 [0,1,0,0,0,1|2,0,0]=4 682 B8R1.5 ClC1=C(I)C=CN=C1 NO17639 [0,1,0,0,0,1|2,0,0]=4 683 B8R1.5 ClC1=C(I)C=CN=C1 NO19993 [0,1,0,0,0,1|2,0,0]=4 684 B8R1.5 ClC1=C(I)C=NC=C1 NO17640 [0,1,0,0,0,1|2,0,0]=4 685 B8R1.5 ClC1=CC=CN=C1Br NO17272 [0,1,0,0,0,1|2,0,0]=4 686 B8R1.5 ClC1=CC=CN=C1Cl NO13373 [0,1,0,0,0,1|2,0,0]=4 687 B8R1.5 ClC1=CN=CN=C1Cl DY565761 [0,1,0,0,0,1|2,0,0]=4 688 B8R1.5 ClC1=NC=CC=C1Br NO22671 [0,1,0,0,0,1|2,0,0]=4 689 B8R1.5 ClC1=NC=CC=C1I NO22694 [0,1,0,0,0,1|2,0,0]=4 690 B8R1.5 ClC1=NC=NC=C1Br NO22769 [0,1,0,0,0,1|2,0,0]=4 691 B8R1.5 ClC1=NC=NC=C1I NO19722 [0,1,0,0,0,1|2,0,0]=4 692 B8R1.5 Clc1ncncc1Br DY512511 [0,1,0,0,0,1|2,0,0]=4 693 B8R1.5 FC1=C(Br)C=NC=C1 NO13534 [0,1,0,0,0,1|2,0,0]=4 694 B8R1.5 FC1=C(Cl)C=CN=C1 DY658401 [0,1,0,0,0,1|2,0,0]=4 695 B8R1.5 FC1=C(I)C=CN=C1 NO18172 [0,1,0,0,0,1|2,0,0]=4 696 B8R1.5 FC1=CC=CN=C1Br NO14296 [0,1,0,0,0,1|2,0,0]=4 697 B8R1.5 FC1=CC=CN=C1Cl NO17308 [0,1,0,0,0,1|2,0,0]=4 698 B8R1.5 FC1=CC=CN=C1F NO18753 [0,1,0,0,0,1|2,0,0]=4 699 B8R1.5 FC1=CN=CN=C1Cl NO11918 [0,1,0,0,0,1|2,0,0]=4 700 B8R1.5 FC1=NC=CC=C1Br NO14198 [0,1,0,0,0,1|2,0,0]=4 701 B8R1.5 FC1=NC=CC=C1Cl NO18743 [0,1,0,0,0,1|2,0,0]=4 702 B8R1.5 FC1=NC=CC=C1I NO21866 [0,1,0,0,0,1|2,0,0]=4 703 B8R1.5 IC1=NC=CN=C1I DY709897 [0,1,0,0,0,1|2,0,0]=4 704 B8R1.5 NC1=C(Br)C=CN=C1 NO13987 [0,1,0,0,0,1|2,0,0]=4 705 B8R1.5 NC1=C(Br)C=NC=C1 NO21968 [0,1,0,0,0,1|2,0,0]=4 706 B8R1.5 NC1=C(Cl)C=CN=C1 NO22737 [0,1,0,0,0,1|2,0,0]=4 707 B8R1.5 NC1=C(Cl)C=NC=C1 NO13897 [0,1,0,0,0,1|2,0,0]=4 708 B8R1.5 NC1=C(F)C=NC=C1 NO13971 [0,1,0,0,0,1|2,0,0]=4 709 B8R1.5 NC1=C(I)C=CN=C1 NO17808 [0,1,0,0,0,1|2,0,0]=4 710 B8R1.5 NC1=C(I)C=NC=C1 NO18532 [0,1,0,0,0,1|2,0,0]=4 711 B8R1.5 NC1=C(N)C=NC=C1 NO22778 [0,1,0,0,0,1|2,0,0]=4 712 B8R1.5 NC1=C(O)C=NC=C1 NO14741 [0,1,0,0,0,1|2,0,0]=4 713 B8R1.5 NC1=CC=CN=C1Br NO22729 [0,1,0,0,0,1|2,0,0]=4 714 B8R1.5 NC1=CC=CN=C1Cl NO17686 [0,1,0,0,0,1|2,0,0]=4 715 B8R1.5 NC1=CC=CN=C1F NO22742 [0,1,0,0,0,1|2,0,0]=4 716 B8R1.5 NC1=CC=CN=C1I NO18159 [0,1,0,0,0,1|2,0,0]=4 717 B8R1.5 NC1=CC=CN=C1N NO21785 [0,1,0,0,0,1|2,0,0]=4 718 B8R1.5 NC1=CC=NNC1=O NO15772 [0,1,0,0,0,1|2,0,0]=4 719 B8R1.5 NC1=CN=CN=C1Br NO12371 [0,1,0,0,0,1|2,0,0]=4 720 B8R1.5 NC1=CN=CN=C1Cl NO10217 [0,1,0,0,0,1|2,0,0]=4 721 B8R1.5 NC1=CN=CN=C1N DY10418 [0,1,0,0,0,1|2,0,0]=4 722 B8R1.5 NC1=NC=CC=C1Br NO17634 [0,1,0,0,0,1|2,0,0]=4 723 B8R1.5 NC1=NC=CC=C1Cl NO17664 [0,1,0,0,0,1|2,0,0]=4 724 B8R1.5 NC1=NC=CC=C1F NO13951 [0,1,0,0,0,1|2,0,0]=4 725 B8R1.5 NC1=NC=CC=C1I NO13464 [0,1,0,0,0,1|2,0,0]=4 726 B8R1.5 NC1=NC=CC=C1O NO22765 [0,1,0,0,0,1|2,0,0]=4 727 B8R1.5 NC1=NC=CN=C1Br NO21229 [0,1,0,0,0,1|2,0,0]=4 728 B8R1.5 NC1=NC=CN=C1Cl NO18423 [0,1,0,0,0,1|2,0,0]=4 729 B8R1.5 NC1=NC=CN=C1F DY710113 [0,1,0,0,0,1|2,0,0]=4 730 B8R1.5 NC1=NC=CN=C1I NO12456 [0,1,0,0,0,1|2,0,0]=4 731 B8R1.5 NC1=NC=CN=C1N DY517323 [0,1,0,0,0,1|2,0,0]=4 732 B8R1.5 NC1=NC=CN=C1O NO21231 [0,1,0,0,0,1|2,0,0]=4 733 B8R1.5 NC1=NC=NC=C1Br NO18005 [0,1,0,0,0,1|2,0,0]=4 734 B8R1.5 NC1=NC=NC=C1Cl NO12255 [0,1,0,0,0,1|2,0,0]=4 735 B8R1.5 NC1=NC=NC=C1F NO12828 [0,1,0,0,0,1|2,0,0]=4 736 B8R1.5 NC1=NC=NC=C1O NO16658 [0,1,0,0,0,1|2,0,0]=4 737 B8R1.5 O=C1N=CNC=C1Br NO10567 [0,1,0,0,0,1|2,0,0]=4 738 B8R1.5 O=C1N=CNC=C1Br NO12515 [0,1,0,0,0,1|2,0,0]=4 739 B8R1.5 O=C1NC=NC=C1O NO15721 [0,1,0,0,0,1|2,0,0]=4 740 B8R1.5 O=C1NN=CC=C1Cl NO15942 [0,1,0,0,0,1|2,0,0]=4 741 B8R1.5 OC1=C(Br)C=CN=C1 NO13781 [0,1,0,0,0,1|2,0,0]=4 742 B8R1.5 OC1=C(Br)C=NC=C1 NO14222 [0,1,0,0,0,1|2,0,0]=4 743 B8R1.5 OC1=C(Cl)C=CN=C1 NO16383 [0,1,0,0,0,1|2,0,0]=4 744 B8R1.5 OC1=C(Cl)C=NC=C1 NO16225 [0,1,0,0,0,1|2,0,0]=4 745 B8R1.5 OC1=C(Cl)N=NC=C1 DY737048 [0,1,0,0,0,1|2,0,0]=4 746 B8R1.5 OC1=C(F)C=NC=C1 NO22284 [0,1,0,0,0,1|2,0,0]=4 747 B8R1.5 OC1=C(I)C=CN=C1 NO12130 [0,1,0,0,0,1|2,0,0]=4 748 B8R1.5 OC1=CC=CN=C1Cl NO17508 [0,1,0,0,0,1|2,0,0]=4 749 B8R1.5 OC1=CC=CN=C1F NO13836 [0,1,0,0,0,1|2,0,0]=4 750 B8R1.5 OC1=CC=CN=C1I NO14294 [0,1,0,0,0,1|2,0,0]=4 751 B8R1.5 OC1=NC=CC=C1Br NO18703 [0,1,0,0,0,1|2,0,0]=4 752 B8R1.5 OC1=NC=NC=C1I NO12263 [0,1,0,0,0,1|2,0,0]=4 753 B8R1.1 C=CC1=NC(Br)=CS1 DY785674 [0,2,0,0,0,0|1,0,0]=3 754 B8R1.1 CC1=CC(C=O)=CS1 DY443650 [0,2,0,0,0,0|1,0,1]=4 755 B8R1.1 CC1=CC(CBr)=NO1 DY516921 [0,2,0,0,0,0|2,0,0]=4 756 B8R1.1 CC1=CC(CCl)=NN1 DY586450 [0,2,0,0,0,0|2,0,0]=4 757 B8R1.1 CC1=CC(CN)=NO1 DY504243 [0,2,0,0,0,0|2,0,0]=4 758 B8R1.1 CC1=CC(CO)=NN1 NO17779 [0,2,0,0,0,0|2,0,0]=4 759 B8R1.1 CC1=CC=C(C#N)N1 NO16878 [0,2,0,0,0,0|1,0,1]=4 760 B8R1.1 CC1=CC=C(C=O)N1 NO10436 [0,2,0,0,0,0|1,0,1]=4 761 B8R1.1 CC1=CC=C(C=O)S1 DY20284 [0,2,0,0,0,0|2,0,0]=4 762 B8R1.1 CC1=CNC(C#N)=N1 NO17142 [0,2,0,0,0,0|1,0,0]=3 763 B8R1.1 CC1=CNC(CO)=C1 DY717969 [0,2,0,0,0,0|1,0,1]=4 764 B8R1.1 CC1=CSC(CO)=N1 DY520509 [0,2,0,0,0,0|0,0,0]=2 765 B8R1.1 CC1=NC(C=O)=CN1 DY584489 [0,2,0,0,0,0|1,0,1]=4 766 B8R1.1 CC1=NC(C=O)=NO1 DY505473 [0,2,0,0,0,0|2,0,0]=4 767 B8R1.1 CC1=NC(CBr)=NO1 DY582897 [0,2,0,0,0,0|1,1,0]=4 768 B8R1.1 CC1=NC=C(C=O)O1 DY773127 [0,2,0,0,0,0|2,0,0]=4 769 B8R1.1 CC1=NC=C(C=O)S1 DY21171 [0,2,0,0,0,0|2,0,0]=4 770 B8R1.1 CC1=NC=C(CN)S1 DY564495 [0,2,0,0,0,0|2,0,0]=4 771 B8R1.1 CC1=NOC(CN)=N1 DY544515 [0,2,0,0,0,0|1,1,0]=4 772 B8R1.1 CC1=NSC(C=O)=C1 DY116147 [0,2,0,0,0,0|2,0,0]=4 773 B8R1.1 CCC1=CC(C)=CS1 DY447443 [0,2,0,0,0,0|1,0,0]=3 774 B8R1.1 CCC1=CN=C(Br)S1 DY786274 [0,2,0,0,0,0|2,0,0]=4 775 B8R1.1 CCC1=CN=C(N)S1 DY518967 [0,2,0,0,0,0|2,0,0]=4 776 B8R1.1 CCC1=CSC(N)=N1 DY544221 [0,2,0,0,0,0|0,0,0]=2 777 B8R1.1 CCC1=NC=C(C)N1 DY580743 [0,2,0,0,0,0|1,0,1]=4 778 B8R1.1 CCC1=NNC(N)=C1 DY647282 [0,2,0,0,0,0|2,0,0]=4 779 B8R1.1 CCC1=NNC(N)=C1 NO18101 [0,2,0,0,0,0|2,0,0]=4 780 B8R1.1 CCC1=NNC(N)=N1 DY604472 [0,2,0,0,0,0|2,0,0]=4 781 B8R1.1 CCC1=NOC(N)=C1 DY773151 [0,2,0,0,0,0|2,0,0]=4 782 B8R1.1 CCC1=NOC(O)=N1 DY607371 [0,2,0,0,0,0|1,1,0]=4 783 B8R1.1 CCN1C=C(Br)C=N1 DY453340 [0,2,0,0,0,0|2,0,0]=4 784 B8R1.1 CCN1C=C(N)C=N1 DY605243 [0,2,0,0,0,0|2,0,0]=4 785 B8R1.1 CCN1C=CC(I)=N1 DY645182 [0,2,0,0,0,0|2,0,0]=4 786 B8R1.1 CN1C=C(C=O)C=N1 NO18189 [0,2,0,0,0,0|2,0,0]=4 787 B8R1.1 CN1C=C(CN)C=N1 DY553167 [0,2,0,0,0,0|2,0,0]=4 788 B8R1.1 CN1C=C(CO)C=N1 NO19818 [0,2,0,0,0,0|2,0,0]=4 789 B8R1.1 CN1C=CC(C#N)=N1 NO20751 [0,2,0,0,0,0|2,0,0]=4 790 B8R1.1 CN1C=CC(C=O)=N1 NO18204 [0,2,0,0,0,0|2,0,0]=4 791 B8R1.1 CN1C=CC(CCl)=N1 DY646990 [0,2,0,0,0,0|2,0,0]=4 792 B8R1.1 CN1C=NC(C=O)=N1 DY769773 [0,2,0,0,0,0|2,0,0]=4 793 B8R1.1 CN1C=NC(CO)=C1 NO18049 [0,2,0,0,0,0|1,0,0]=3 794 B8R1.1 CN1C=NC(CO)=N1 NO14509 [0,2,0,0,0,0|2,0,0]=4 795 B8R1.1 COC1=NC(N)=NS1 DY794733 [0,2,0,0,0,0|2,0,0]=4 796 B8R1.1 CSC1=NC(N)=NS1 DY796761 [0,2,0,0,0,0|2,0,0]=4 797 B8R1.1 CSC1=NNC(N)=C1 NO16036 [0,2,0,0,0,0|2,0,0]=4 798 B8R1.1 ClCC1=CC=C(Cl)S1 NO17500 [0,2,0,0,0,0|2,0,0]=4 799 B8R1.1 ClCC1=CSC(Cl)=N1 DY785104 [0,2,0,0,0,0|0,0,0]=2 800 B8R1.1 N#CC1=COC(Br)=N1 NO17607 [0,2,0,0,0,0|0,1,1]=4 801 B8R1.1 N#CC1=COC(Cl)=N1 NO17604 [0,2,0,0,0,0|0,1,1]=4 802 B8R1.1 N#CC1=CSC(Br)=N1 NO12271 [0,2,0,0,0,0|0,0,1]=3 803 B8R1.1 N#CC1=CSC(Cl)=N1 NO16417 [0,2,0,0,0,0|0,0,1]=3 804 B8R1.1 NC1=NC(CCl)=CS1 NO18388 [0,2,0,0,0,0|0,0,0]=2 805 B8R1.1 NC1=NC=C(CO)S1 DY517203 [0,2,0,0,0,0|2,0,0]=4 806 B8R1.1 NCC1=CC=C(Br)O1 DY432586 [0,2,0,0,0,0|2,0,0]=4 807 B8R1.1 NCC1=CC=C(Br)O1 DY759704 [0,2,0,0,0,0|2,0,0]=4 808 B8R1.1 NCC1=CN=C(Br)S1 DY517569 [0,2,0,0,0,0|2,0,0]=4 809 B8R1.1 NCC1=CN=C(Cl)S1 NO12616 [0,2,0,0,0,0|2,0,0]=4 810 B8R1.1 NCC1=CN=C(Cl)S1 NO19827 [0,2,0,0,0,0|2,0,0]=4 811 B8R1.1 NCC1=CSC(Br)=N1 DY460992 [0,2,0,0,0,0|0,0,0]=2 812 B8R1.1 NCC1=NC(Br)=CS1 DY567777 [0,2,0,0,0,0|1,0,0]=3 813 B8R1.1 O=CC1=CC(Br)=CS1 NO22689 [0,2,0,0,0,0|2,0,0]=4 814 B8R1.1 O=CC1=CC(I)=CS1 NO16582 [0,2,0,0,0,0|2,0,0]=4 815 B8R1.1 O=CC1=CSC(Br)=N1 NO15326 [0,2,0,0,0,0|0,0,1]=3 816 B8R1.1 O=CC1=NC(Br)=CS1 NO13190 [0,2,0,0,0,0|1,0,0]=3 817 B8R1.1 OCC1=CC=C(Br)O1 NO15423 [0,2,0,0,0,0|2,0,0]=4 818 B8R1.1 OCC1=CN=C(Br)O1 DY772959 [0,2,0,0,0,0|2,0,0]=4 819 B8R1.1 OCC1=CN=C(Br)S1 NO18424 [0,2,0,0,0,0|2,0,0]=4 820 B8R1.1 OCC1=CSC(Br)=N1 NO15600 [0,2,0,0,0,0|0,0,0]=2 821 B8R1.1 OCC1=CSC(Cl)=N1 DY785710 [0,2,0,0,0,0|0,0,0]=2 822 B8R1.1 OCC1=NC(=S)NN1 DY541851 [0,2,0,0,0,0|2,0,0]=4 823 B8R1.7 CC(=O)C1=CC=CO1 NO18634 [0,2,0,0,0,0|2,0,0]=4 824 B8R1.7 CC(=O)C1=CC=CS1 NO19387 [0,2,0,0,0,0|2,0,0]=4 825 B8R1.7 CC(=O)C1=CNC=N1 NO20378 [0,2,0,0,0,0|1,0,0]=3 826 B8R1.7 CC(=O)C1=CSC=N1 NO13244 [0,2,0,0,0,0|0,0,0]=2 827 B8R1.7 CC(=O)C1=NC=CO1 NO20443 [0,2,0,0,0,0|2,0,0]=4 828 B8R1.7 CC(=O)C1=NC=CS1 NO22755 [0,2,0,0,0,0|2,0,0]=4 829 B8R1.7 CC(=O)C1=NNC=C1 NO13441 [0,2,0,0,0,0|2,0,0]=4 830 B8R1.7 CC(=O)C1=NOC=C1 DY116141 [0,2,0,0,0,0|2,0,0]=4 831 B8R1.7 CC(C)C1=CN=CS1 DY785650 [0,2,0,0,0,0|2,0,0]=4 832 B8R1.7 CC(C)C1=CNC=C1 DY447203 [0,2,0,0,0,0|2,0,0]=4 833 B8R1.7 CC(C)C1=NC=CN1 NO21624 [0,2,0,0,0,0|2,0,0]=4 834 B8R1.7 CC(N)C1=CC=CN1 DY717705 [0,2,0,0,0,0|1,0,1]=4 835 B8R1.7 CC(N)C1=CC=CS1 DY585951 [0,2,0,0,0,0|2,0,0]=4 836 B8R1.7 CC(N)C1=NC=CS1 DY446644 [0,2,0,0,0,0|2,0,0]=4 837 B8R1.7 CC(N)C1=NC=CS1 DY608600 [0,2,0,0,0,0|2,0,0]=4 838 B8R1.7 CC(O)C1=CN=CS1 DY116219 [0,2,0,0,0,0|2,0,0]=4 839 B8R1.7 CC(O)C1=CNC=N1 DY563913 [0,2,0,0,0,0|1,0,0]=3 840 B8R1.7 CC(O)C1=CSC=C1 DY786664 [0,2,0,0,0,0|1,0,0]=3 841 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [0,2,0,0,0,0|2,0,0]=4 842 B8R1.7 C[C@@H](O)C1=CC=CS1 DY621687 [0,2,0,0,0,0|2,0,0]=4 843 B8R1.7 O=C(Cl)C1=CSC=C1 DY786748 [0,2,0,0,0,0|1,0,1]=4 844 B8R1.7 O=C(O)C1=CNC=N1 NO19657 [0,2,0,0,0,0|1,0,1]=4 845 B8R1.7 O=C(O)C1=CSC=C1 NO22727 [0,2,0,0,0,0|1,0,1]=4 846 B8R1.7 O=C(O)C1=CSC=N1 NO10126 [0,2,0,0,0,0|0,0,1]=3 847 B8R1.7 OB(O)C1=CSC=C1 NO22585 [0,2,0,0,0,0|2,0,0]=4 848 B8R1.8 CCCC1=NC=CN1 NO14621 [0,2,0,0,0,0|2,0,0]=4 849 B8R1.8 CSCC1=CC=CO1 DY523785 [0,2,0,0,0,0|2,0,0]=4 850 B8R1.8 N#CCC1=CC=CS1 NO22998 [0,2,0,0,0,0|2,0,0]=4 851 B8R1.8 N#CCC1=CSC=C1 NO13644 [0,2,0,0,0,0|1,0,0]=3 852 B8R1.8 N#CCN1C=CC=N1 DY645739 [0,2,0,0,0,0|2,0,0]=4 853 B8R1.8 NCCC1=CC=CN1 DY717219 [0,2,0,0,0,0|1,0,1]=4 854 B8R1.8 NCCC1=CN=CS1 DY785962 [0,2,0,0,0,0|2,0,0]=4 855 B8R1.8 NCCC1=CNC=N1 DY557493 [0,2,0,0,0,0|1,0,0]=3 856 B8R1.8 NCCC1=CNC=N1 NO18264 [0,2,0,0,0,0|1,0,0]=3 857 B8R1.8 NCCC1=CSC=C1 NO22098 [0,2,0,0,0,0|1,0,0]=3 858 B8R1.8 NCCC1=NC=CN1 DY725263 [0,2,0,0,0,0|2,0,0]=4 859 B8R1.8 NCCN1C=CC=N1 DY501807 [0,2,0,0,0,0|2,0,0]=4 860 B8R1.8 NNCC1=CC=CS1 DY607641 [0,2,0,0,0,0|2,0,0]=4 861 B8R1.8 O=CCC1=CC=CS1 NO17423 [0,2,0,0,0,0|2,0,0]=4 862 B8R1.8 OCCC1=CC=CS1 NO14939 [0,2,0,0,0,0|2,0,0]=4 863 B8R1.8 OCCC1=CN=CN1 DY726169 [0,2,0,0,0,0|1,0,1]=4 864 B8R1.8 OCCC1=CNC=N1 NO18186 [0,2,0,0,0,0|1,0,0]=3 865 B8R1.8 OCCC1=CSC=C1 NO20858 [0,2,0,0,0,0|1,0,0]=3 866 B8R1.8 OCCC1=NC=CS1 DY578205 [0,2,0,0,0,0|2,0,0]=4 867 B8R1.8 O\N=C\C1=CSC=C1 DY554289 [0,2,0,0,0,0|1,0,1]=4 868 B8R1.11 C#CC1=C(C)N=CS1 DY785770 [0,2,0,0,0,0|0,0,0]=2 869 B8R1.11 C=CC1=C(C)N=CS1 DY531999 [0,2,0,0,0,0|0,0,0]=2 870 B8R1.11 CC1=C(C=O)C=CO1 DY759980 [0,2,0,0,0,0|2,0,0]=4 871 B8R1.11 CC1=C(CN)SC=C1 DY609391 [0,2,0,0,0,0|1,0,0]=3 872 B8R1.11 CC1=C(CO)N=CN1 DY546951 [0,2,0,0,0,0|1,0,0]=3 873 B8R1.11 CC1=C(CO)NC=N1 NO14250 [0,2,0,0,0,0|1,0,0]=3 874 B8R1.11 CC1=C(CO)SC=N1 DY537087 [0,2,0,0,0,0|0,0,0]=2 875 B8R1.11 CC1=CSC=C1C=O DY570849 [0,2,0,0,0,0|1,0,0]=3 876 B8R1.11 CC1=NNC=C1C=O NO22355 [0,2,0,0,0,0|2,0,0]=4 877 B8R1.11 CC1=NOC=C1CN DY773325 [0,2,0,0,0,0|2,0,0]=4 878 B8R1.11 CC1=NOC=C1CO DY773595 [0,2,0,0,0,0|2,0,0]=4 879 B8R1.11 CC1=NON=C1CN DY508484 [0,2,0,0,0,0|2,0,0]=4 880 B8R1.11 CCC1=NNC=C1Br DY607581 [0,2,0,0,0,0|2,0,0]=4 881 B8R1.11 CCC1=NNC=C1C DY647288 [0,2,0,0,0,0|2,0,0]=4 882 B8R1.11 CCN1C=CN=C1C DY540057 [0,2,0,0,0,0|2,0,0]=4 883 B8R1.11 CCN1N=CC=C1I DY645242 [0,2,0,0,0,0|2,0,0]=4 884 B8R1.11 CN1C=CC=C1CN DY717975 [0,2,0,0,0,0|1,0,1]=4 885 B8R1.11 CN1C=CN=C1CBr DY725449 [0,2,0,0,0,0|2,0,0]=4 886 B8R1.11 CN1C=CN=C1CCl DY726283 [0,2,0,0,0,0|2,0,0]=4 887 B8R1.11 CN1C=CN=C1CO NO13833 [0,2,0,0,0,0|2,0,0]=4 888 B8R1.11 CN1C=NC=C1CN DY725329 [0,2,0,0,0,0|1,0,1]=4 889 B8R1.11 CN1N=CC=C1C=O NO18205 [0,2,0,0,0,0|2,0,0]=4 890 B8R1.11 CN1N=CC=C1CCl DY607925 [0,2,0,0,0,0|2,0,0]=4 891 B8R1.11 CN1N=CN=C1CN DY769947 [0,2,0,0,0,0|2,0,0]=4 892 B8R1.11 CN1N=CN=C1NN DY611632 [0,2,0,0,0,0|2,0,0]=4 893 B8R1.11 CNC1=NC=CN1C DY725947 [0,2,0,0,0,0|2,0,0]=4 894 B8R1.11 CSC1=C(Br)C=CS1 DY452122 [0,2,0,0,0,0|2,0,0]=4 895 B8R1.11 ClC1=C(CBr)C=CS1 NO14290 [0,2,0,0,0,0|1,0,0]=3 896 B8R1.11 N#CC1=C(Br)C=CS1 NO22192 [0,2,0,0,0,0|2,0,0]=4 897 B8R1.11 N#CC1=C(N)C=CS1 DY786832 [0,2,0,0,0,0|2,0,0]=4 898 B8R1.11 N#CC1=C(N)N=CN1 NO22450 [0,2,0,0,0,0|2,0,0]=4 899 B8R1.11 NC1=C(C=O)SC=C1 NO14842 [0,2,0,0,0,0|2,0,0]=4 900 B8R1.11 O=CC1=C(Br)C=CS1 NO17288 [0,2,0,0,0,0|2,0,0]=4 901 B8R1.11 O=CC1=C(Br)N=CS1 NO15329 [0,2,0,0,0,0|1,0,0]=3 902 B8R1.11 O=CC1=C(Cl)N=CS1 NO22797 [0,2,0,0,0,0|1,0,0]=3 903 B8R1.11 O=CC1=C(F)C=CS1 DY429390 [0,2,0,0,0,0|2,0,0]=4 904 B8R1.11 O=CC1=CSC=C1Br DY441264 [0,2,0,0,0,0|1,0,1]=4 905 B8R1.11 OCC1=C(Br)N=CS1 NO12138 [0,2,0,0,0,0|1,0,0]=3 906 B8R1.11 OCC1=C(Cl)C=CS1 DY536271 [0,2,0,0,0,0|2,0,0]=4 907 B8R1.18 BrC1=NC(Br)=C(Br)N1 NO22531 [0,2,0,0,0,0|2,0,0]=4 908 B8R1.18 CC1=C(Br)NC(Br)=N1 NO19876 [0,2,0,0,0,0|1,0,0]=3 909 B8R1.18 CC1=C(Br)SC(N)=N1 NO15953 [0,2,0,0,0,0|0,0,0]=2 910 B8R1.18 CC1=C(Br)SC(N)=N1 NO21269 [0,2,0,0,0,0|0,0,0]=2 911 B8R1.18 CC1=C(C)OC(=O)O1 NO18029 [0,2,0,0,0,0|1,1,0]=4 912 B8R1.18 CC1=C(C)SC(Br)=N1 NO13229 [0,2,0,0,0,0|0,0,0]=2 913 B8R1.18 CC1=C(C)SC(N)=N1 NO21234 [0,2,0,0,0,0|0,0,0]=2 914 B8R1.18 CC1=C(Cl)N=C(Cl)S1 NO16846 [0,2,0,0,0,0|1,0,0]=3 915 B8R1.18 CC1=C(Cl)SC(Cl)=C1 NO17499 [0,2,0,0,0,0|1,0,0]=3 916 B8R1.18 CC1=C(F)SC(N)=N1 DY582105 [0,2,0,0,0,0|0,0,0]=2 917 B8R1.18 CC1=C(I)NC(I)=N1 NO19843 [0,2,0,0,0,0|1,0,0]=3 918 B8R1.18 CC1=CC(C)=NN1C NO19810 [0,2,0,0,0,0|2,0,0]=4 919 B8R1.18 CC1=CC(N)=NN1C NO13792 [0,2,0,0,0,0|2,0,0]=4 920 B8R1.18 CC1=NC(Br)=C(C)N1 DY606020 [0,2,0,0,0,0|1,0,1]=4 921 B8R1.18 CC1=NC(Br)=CN1C DY107044 [0,2,0,0,0,0|2,0,0]=4 922 B8R1.18 CC1=NC(C)=C(C)O1 DY773169 [0,2,0,0,0,0|0,1,0]=3 923 B8R1.18 CC1=NC(N)=CN1C DY741679 [0,2,0,0,0,0|2,0,0]=4 924 B8R1.18 CC1=NN(C)C=C1I DY431130 [0,2,0,0,0,0|2,0,0]=4 925 B8R1.18 CC1=NN(C)C=C1N DY608740 [0,2,0,0,0,0|2,0,0]=4 926 B8R1.18 CN1C=C(Cl)C(N)=N1 DY648151 [0,2,0,0,0,0|2,0,0]=4 927 B8R1.18 CN1C=C(I)N=C1I DY726295 [0,2,0,0,0,0|2,0,0]=4 928 B8R1.18 CN1N=C(Br)C=C1Cl DY608233 [0,2,0,0,0,0|2,0,0]=4 929 B8R1.18 CN1N=C(Br)C=C1N NO14912 [0,2,0,0,0,0|2,0,0]=4 930 B8R1.18 CN1N=C(Br)N=C1Br NO16395 [0,2,0,0,0,0|2,0,0]=4 931 B8R1.18 ClC1=C(Cl)SC(Br)=C1 NO16855 [0,2,0,0,0,0|2,0,0]=4 932 B8R1.50 CC1=C(Br)C=NN1C DY561441 [0,2,0,0,0,0|2,0,0]=4 933 B8R1.50 CC1=C(Br)N(C)N=C1 DY521421 [0,2,0,0,0,0|2,0,0]=4 934 B8R1.50 CC1=C(C)C(=O)N=N1 DY566079 [0,2,0,0,0,0|2,0,0]=4 935 B8R1.50 CC1=C(N)N(C)C=N1 DY585968 [0,2,0,0,0,0|1,0,0]=3 936 B8R1.50 CC1=CNC(=O)C1C DY799551 [0,2,0,0,0,0|2,0,0]=4 937 B8R1.50 CC1=CNC(C)=C1C NO16478 [0,2,0,0,0,0|1,0,1]=4 938 B8R1.50 CC1=CSC(C)=C1Br NO16729 [0,2,0,0,0,0|1,0,0]=3 939 B8R1.50 CC1=NNC(C)=C1Br NO18052 [0,2,0,0,0,0|2,0,0]=4 940 B8R1.50 CC1=NNC(C)=C1I NO18086 [0,2,0,0,0,0|2,0,0]=4 941 B8R1.50 CC1=NOC(C)=C1I NO17867 [0,2,0,0,0,0|2,0,0]=4 942 B8R1.50 CN1N=CC(Br)=C1N NO16215 [0,2,0,0,0,0|2,0,0]=4 943 B8R1.50 CN1N=CC(F)=C1N DY536217 [0,2,0,0,0,0|2,0,0]=4 944 B6R1.1 C1=CC=NC=C1 DY21088 [0,0,1,1,0,0|1,0,1]=4 945 B6R1.1 C1=CC=NC=C1 DY663929 [0,0,1,1,0,0|1,0,1]=4 946 B6R1.1 C1=CN=NC=C1 NO11905 [0,0,1,1,0,0|2,0,0]=4 947 B6R1.1 C1=NC=NC=N1 NO20497 [0,0,1,1,0,0|2,0,0]=4