0 B8R1.2 NCC1=NC=CN=C1 B050555 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [0,1,0,0,0,0|2,0,0]=3 2 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [0,1,0,0,0,0|2,0,0]=3 3 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [0,1,0,0,0,0|3,0,0]=4 4 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,1,0,0,0,0|1,0,1]=3 6 B9R1.8 BrCCC1=NC=CC=C1 B050856 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.8 CNCC1=CC=CC=N1 B059678 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.8 CNCC1=NC=CN=C1 B050431 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.8 ClCCC1=NC=CC=C1 B050813 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.8 NOCC1=CC=CC=C1 B022277 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.15 COC1=CC=CN=C1O B039509 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [0,1,0,0,0,0|1,0,1]=3 15 B9R1.15 NC1=NC=CC=C1C=O B049085 [0,1,0,0,0,0|1,0,1]=3 16 B7R1.1 C(=O)C1=CC=NN1 B039168 [0,0,0,0,1,0|2,0,1]=4 17 B7R1.1 CCN1C=CC=N1 B006762 [0,0,0,0,1,0|1,0,0]=2 18 B7R1.1 CCN1C=CN=C1 B039755 [0,0,0,0,1,0|1,0,0]=2 19 B7R1.1 CCN1C=NC=N1 B051895 [0,0,0,0,1,0|2,0,0]=3 20 B7R1.1 ClCC1=CC=NO1 B049837 [0,0,0,0,1,0|2,0,0]=3 21 B7R1.1 ClCC1=CN=CS1 B059804 [0,0,0,0,1,0|2,0,0]=3 22 B7R1.1 ClCC1=CSC=N1 B039433 [0,0,0,0,1,0|2,0,0]=3 23 B7R1.1 ClCC1=NOC=C1 B049730 [0,0,0,0,1,0|2,0,0]=3 24 B7R1.1 N#CC1=CNN=C1 B046379 [0,0,0,0,1,0|2,0,1]=4 25 B7R1.1 N#CC1=NNC=C1 B047221 [0,0,0,0,1,0|2,0,1]=4 26 B7R1.1 NCC1=CN=CS1 B059797 [0,0,0,0,1,0|2,0,0]=3 27 B7R1.1 NCC1=CNN=C1 B037991 [0,0,0,0,1,0|2,0,0]=3 28 B7R1.1 NCC1=CNN=C1 B046389 [0,0,0,0,1,0|2,0,0]=3 29 B7R1.1 NCC1=NC=CS1 B059667 [0,0,0,0,1,0|2,0,0]=3 30 B7R1.1 NCC1=NNC=C1 B014395 [0,0,0,0,1,0|2,0,0]=3 31 B7R1.1 O=CC1=CNN=C1 B015969 [0,0,0,0,1,0|2,0,1]=4 32 B7R1.1 O=CC1=CNN=C1 B039241 [0,0,0,0,1,0|2,0,1]=4 33 B7R1.1 O=CC1=NC=CS1 B046187 [0,0,0,0,1,0|2,0,1]=4 34 B7R1.1 OCC1=CN=NN1 B049677 [0,0,0,0,1,0|3,0,0]=4 35 B7R1.1 OCC1=CNN=C1 B047363 [0,0,0,0,1,0|2,0,0]=3 36 B7R1.1 OCC1=NNC=C1 B047364 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.3 BrC1=CC=C(I)C=N1 B050029 [1,1,0,0,0,0|1,0,0]=3 38 B8R1.3 CC1=CN=C(O)N=C1 B038992 [1,1,0,0,0,0|1,0,0]=3 39 B8R1.3 CC1=CN=C(S)N=C1 B016326 [1,1,0,0,0,0|1,0,0]=3 40 B8R1.3 CC1=CN=C(S)N=C1 B029371 [1,1,0,0,0,0|1,0,0]=3 41 B8R1.3 ClC1=CC=C(Br)C=N1 B050028 [1,1,0,0,0,0|1,0,0]=3 42 B8R1.3 ClC1=CC=C(I)C=N1 B050030 [1,1,0,0,0,0|1,0,0]=3 43 B8R1.5 ClC1=C(I)C=CC=N1 B050034 [1,1,0,0,0,0|1,0,0]=3 44 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [1,1,0,0,0,0|1,0,0]=3 45 B8R1.1 CC1=CC(CCl)=NO1 B037983 [0,1,0,0,1,0|2,0,0]=4 46 B8R1.1 CC1=CC(CO)=NO1 B037451 [0,1,0,0,1,0|2,0,0]=4 47 B8R1.1 CC1=CC=C(CN)S1 B030516 [0,1,0,0,1,0|2,0,0]=4 48 B8R1.1 CC1=CN(CCl)N=C1 B017585 [0,1,0,0,1,0|2,0,0]=4 49 B8R1.1 CC1=CN(CCl)N=C1 B046414 [0,1,0,0,1,0|2,0,0]=4 50 B8R1.1 CC1=CN(CO)N=C1 B028555 [0,1,0,0,1,0|2,0,0]=4 51 B8R1.1 CC1=CSC(CCl)=N1 B059707 [0,1,0,0,1,0|2,0,0]=4 52 B8R1.1 CC1=CSC(CN)=N1 B030505 [0,1,0,0,1,0|2,0,0]=4 53 B8R1.1 CC1=NNC(CN)=C1 B040410 [0,1,0,0,1,0|2,0,0]=4 54 B8R1.1 CC1=NOC(CN)=C1 B038372 [0,1,0,0,1,0|2,0,0]=4 55 B8R1.1 CC1=NOC(CN)=C1 B039279 [0,1,0,0,1,0|2,0,0]=4 56 B8R1.1 CC1=NOC(CO)=C1 B037452 [0,1,0,0,1,0|2,0,0]=4 57 B8R1.1 CCC1=CC(Br)=CS1 B046186 [0,1,0,0,1,0|1,0,0]=3 58 B8R1.1 CCC1=NN=C(S)N1 B035918 [0,1,0,0,1,0|2,0,0]=4 59 B8R1.1 CCN1C=C(Br)C=N1 B039770 [0,1,0,0,1,0|1,0,0]=3 60 B8R1.1 CCN1C=C(C)C=N1 B052000 [0,1,0,0,1,0|1,0,0]=3 61 B8R1.1 CCN1C=C(Cl)C=N1 B039696 [0,1,0,0,1,0|1,0,0]=3 62 B8R1.1 CCN1C=C(I)C=N1 B047731 [0,1,0,0,1,0|1,0,0]=3 63 B8R1.1 CCN1C=C(N)C=N1 B038633 [0,1,0,0,1,0|1,0,0]=3 64 B8R1.1 CCN1C=CC(Br)=N1 B050957 [0,1,0,0,1,0|1,0,0]=3 65 B8R1.1 CCN1C=CC(C)=N1 B006751 [0,1,0,0,1,0|1,0,0]=3 66 B8R1.1 CCN1C=CC(I)=N1 B050972 [0,1,0,0,1,0|1,0,0]=3 67 B8R1.1 CCN1C=CC(N)=N1 B014445 [0,1,0,0,1,0|1,0,0]=3 68 B8R1.1 CCN1C=CC(N)=N1 B051587 [0,1,0,0,1,0|1,0,0]=3 69 B8R1.1 CCN1C=NC(Br)=N1 B052021 [0,1,0,0,1,0|2,0,0]=4 70 B8R1.1 CCN1C=NC(C)=C1 B051963 [0,1,0,0,1,0|1,0,0]=3 71 B8R1.1 CCN1C=NC(N)=N1 B046260 [0,1,0,0,1,0|2,0,0]=4 72 B8R1.1 CCN1C=NC(N)=N1 B047055 [0,1,0,0,1,0|2,0,0]=4 73 B8R1.1 CN1C=C(CCl)C=N1 B039771 [0,1,0,0,1,0|2,0,0]=4 74 B8R1.1 CN1C=C(CN)C=N1 B000529 [0,1,0,0,1,0|2,0,0]=4 75 B8R1.1 CN1C=C(CO)C=N1 B020730 [0,1,0,0,1,0|2,0,0]=4 76 B8R1.1 CN1C=CC(CCl)=N1 B047328 [0,1,0,0,1,0|2,0,0]=4 77 B8R1.1 CN1C=CC(CN)=N1 B007402 [0,1,0,0,1,0|2,0,0]=4 78 B8R1.1 CN1C=CC(CN)=N1 B016053 [0,1,0,0,1,0|2,0,0]=4 79 B8R1.1 CN1C=CC(CO)=N1 B047329 [0,1,0,0,1,0|2,0,0]=4 80 B8R1.1 ClCN1C=C(Br)C=N1 B015677 [0,1,0,0,1,0|2,0,0]=4 81 B8R1.1 ClCN1C=C(Cl)C=N1 B022715 [0,1,0,0,1,0|2,0,0]=4 82 B8R1.1 FC1=CC=C(CBr)S1 B058943 [0,1,0,0,1,0|2,0,0]=4 83 B8R1.1 FC1=CC=C(CCl)S1 B052448 [0,1,0,0,1,0|2,0,0]=4 84 B8R1.1 NC1=NC(CO)=CS1 B050737 [0,1,0,0,1,0|2,0,0]=4 85 B8R1.1 NC1=NNC(CO)=C1 B047583 [0,1,0,0,1,0|2,0,0]=4 86 B8R1.1 NCC1=CC=C(F)S1 B052432 [0,1,0,0,1,0|2,0,0]=4 87 B8R1.1 OCC1=CC=C(F)S1 B046290 [0,1,0,0,1,0|2,0,0]=4 88 B8R1.1 OCN1C=C(Br)C=N1 B030041 [0,1,0,0,1,0|2,0,0]=4 89 B8R1.1 OCN1C=C(Cl)C=N1 B022132 [0,1,0,0,1,0|2,0,0]=4 90 B8R1.1 OCN1C=CC(Br)=N1 B062416 [0,1,0,0,1,0|2,0,0]=4 91 B8R1.1 OCN1C=CC(I)=N1 B062417 [0,1,0,0,1,0|2,0,0]=4 92 B8R1.7 C(F)(F)C1=NNC=C1 B039247 [0,1,0,0,1,0|2,0,0]=4 93 B8R1.7 CC(C)C1=NNC=C1 B037623 [0,1,0,0,1,0|1,0,0]=3 94 B8R1.7 CC(C)N1C=CC=N1 B036490 [0,1,0,0,1,0|1,0,0]=3 95 B8R1.7 CC(C)N1C=CN=C1 B039769 [0,1,0,0,1,0|1,0,0]=3 96 B8R1.7 CC(C)N1C=NC=N1 B051927 [0,1,0,0,1,0|2,0,0]=4 97 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,1,0,0,1,0|1,0,0]=3 98 B8R1.7 CC(N)C1=CSC=N1 B059754 [0,1,0,0,1,0|1,0,0]=3 99 B8R1.7 CC(N)C1=NC=CS1 B059669 [0,1,0,0,1,0|1,0,0]=3 100 B8R1.7 FC(F)N1C=CC=N1 B022205 [0,1,0,0,1,0|2,0,0]=4 101 B8R1.8 CCCC1=CC=CS1 B046363 [0,1,0,0,1,0|1,0,0]=3 102 B8R1.8 CCCN1C=CC=N1 B030577 [0,1,0,0,1,0|1,0,0]=3 103 B8R1.8 CCCN1C=CN=C1 B046400 [0,1,0,0,1,0|1,0,0]=3 104 B8R1.8 CNCC1=CC=NN1 B029937 [0,1,0,0,1,0|1,0,0]=3 105 B8R1.8 CNCC1=CN=CS1 B059805 [0,1,0,0,1,0|1,0,0]=3 106 B8R1.8 CNCC1=NC=CN1 B059758 [0,1,0,0,1,0|1,0,0]=3 107 B8R1.8 CNCC1=NC=CS1 B059668 [0,1,0,0,1,0|1,0,0]=3 108 B8R1.8 ClCCC1=CNN=C1 B047502 [0,1,0,0,1,0|1,0,0]=3 109 B8R1.8 ClCCN1C=CC=N1 B021982 [0,1,0,0,1,0|1,0,0]=3 110 B8R1.8 FCCN1C=CC=N1 B051599 [0,1,0,0,1,0|1,0,0]=3 111 B8R1.8 N#CCN1C=CC=N1 B022149 [0,1,0,0,1,0|1,0,1]=4 112 B8R1.8 NCCC1=CC=CO1 B029933 [0,1,0,0,1,0|1,0,0]=3 113 B8R1.8 NCCC1=CC=CO1 B049455 [0,1,0,0,1,0|1,0,0]=3 114 B8R1.8 NCCC1=CNC=N1 B048931 [0,1,0,0,1,0|1,0,0]=3 115 B8R1.8 NCCC1=CNN=C1 B037041 [0,1,0,0,1,0|1,0,0]=3 116 B8R1.8 NCCC1=CNN=C1 B046264 [0,1,0,0,1,0|1,0,0]=3 117 B8R1.8 NCCC1=NC=CS1 B059753 [0,1,0,0,1,0|1,0,0]=3 118 B8R1.8 NCCN1C=CC=N1 B016657 [0,1,0,0,1,0|1,0,0]=3 119 B8R1.8 NCCN1C=CN=C1 B037992 [0,1,0,0,1,0|1,0,0]=3 120 B8R1.8 NCCN1C=CN=C1 B046367 [0,1,0,0,1,0|1,0,0]=3 121 B8R1.8 OCCC1=CNN=C1 B006537 [0,1,0,0,1,0|1,0,0]=3 122 B8R1.8 OCCC1=CNN=C1 B018513 [0,1,0,0,1,0|1,0,0]=3 123 B8R1.8 OCCN1C=CC=N1 B021981 [0,1,0,0,1,0|1,0,0]=3 124 B8R1.11 CC1=C(CBr)SC=N1 B059808 [0,1,0,0,1,0|2,0,0]=4 125 B8R1.11 CC1=C(CO)N=CN1 B037486 [0,1,0,0,1,0|2,0,0]=4 126 B8R1.11 CC1=C(CO)SC=N1 B059809 [0,1,0,0,1,0|2,0,0]=4 127 B8R1.11 CC1=CNN=C1CO B058953 [0,1,0,0,1,0|2,0,0]=4 128 B8R1.11 CC1=NNC=C1CN B049608 [0,1,0,0,1,0|2,0,0]=4 129 B8R1.11 CCC1=CC=NN1C B037958 [0,1,0,0,1,0|1,0,0]=3 130 B8R1.11 CCN1C=NC=C1C B051962 [0,1,0,0,1,0|1,0,0]=3 131 B8R1.11 CCN1N=CC=C1Br B060135 [0,1,0,0,1,0|1,0,0]=3 132 B8R1.11 CCN1N=CC=C1C B006759 [0,1,0,0,1,0|1,0,0]=3 133 B8R1.11 CCN1N=CC=C1F B051209 [0,1,0,0,1,0|1,0,0]=3 134 B8R1.11 CCN1N=CC=C1I B051207 [0,1,0,0,1,0|1,0,0]=3 135 B8R1.11 CCN1N=CC=C1N B024267 [0,1,0,0,1,0|1,0,0]=3 136 B8R1.11 CCN1N=CN=C1Br B052020 [0,1,0,0,1,0|2,0,0]=4 137 B8R1.11 CN1C=CN=C1CCl B049898 [0,1,0,0,1,0|2,0,0]=4 138 B8R1.11 CN1N=CC=C1CBr B052534 [0,1,0,0,1,0|2,0,0]=4 139 B8R1.11 CN1N=CC=C1CCl B036160 [0,1,0,0,1,0|2,0,0]=4 140 B8R1.11 CN1N=CC=C1CCl B062237 [0,1,0,0,1,0|2,0,0]=4 141 B8R1.11 CN1N=CC=C1CN B007404 [0,1,0,0,1,0|2,0,0]=4 142 B8R1.11 CN1N=CC=C1CN B016043 [0,1,0,0,1,0|2,0,0]=4 143 B8R1.11 CN1N=CC=C1CO B030040 [0,1,0,0,1,0|2,0,0]=4 144 B8R1.11 NCC1=NNC=C1I B047726 [0,1,0,0,1,0|2,0,0]=4 145 B8R1.11 OCC1=NNC=C1I B047727 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.3 N#CC1=CC=C(CCl)C=C1 B030136 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,2,0,0,0,0|1,0,1]=4 151 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [0,2,0,0,0,0|1,0,0]=3 152 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.15 N\C(=N/O)C1=CN=CC=C1 B030080 [0,2,0,0,0,0|1,0,1]=4 155 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 B050310 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O B050312 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [0,2,0,0,0,0|0,0,0]=2 158 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,2,0,0,0,0|0,0,0]=2 159 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,2,0,0,0,0|1,0,1]=4 162 B10R2.7 C1=CC2=C(N=C1)NN=C2 B039109 [0,1,0,1,0,0|1,0,1]=4 163 B6R1.2 BrC1=CNN=C1 B001462 [1,0,0,0,1,0|2,0,0]=4 164 B6R1.2 BrC1=CSN=C1 B049126 [1,0,0,0,1,0|2,0,0]=4 165 B6R1.2 BrC1=NNC=C1 B050964 [1,0,0,0,1,0|2,0,0]=4 166 B6R1.2 CC1=CNN=C1 B014452 [1,0,0,0,1,0|1,0,0]=3 167 B6R1.2 CC1=NN=CN1 B037419 [1,0,0,0,1,0|2,0,0]=4 168 B6R1.2 CC1=NNC=C1 B022230 [1,0,0,0,1,0|1,0,0]=3 169 B6R1.2 CN1C=CC=N1 B006761 [1,0,0,0,1,0|1,0,0]=3 170 B6R1.2 CN1C=CN=C1 B039756 [1,0,0,0,1,0|1,0,0]=3 171 B6R1.2 CN1C=NC=N1 B051876 [1,0,0,0,1,0|2,0,0]=4 172 B6R1.2 ClC1=CNN=C1 B001464 [1,0,0,0,1,0|2,0,0]=4 173 B6R1.2 FC1=CC=CS1 B039753 [1,0,0,0,1,0|2,0,0]=4 174 B6R1.2 IC1=CNN=C1 B037442 [1,0,0,0,1,0|2,0,0]=4 175 B6R1.2 IC1=NNC=C1 B050979 [1,0,0,0,1,0|2,0,0]=4 176 B6R1.2 NC1=CNN=C1 B035785 [1,0,0,0,1,0|2,0,0]=4 177 B6R1.2 NC1=CNN=C1 B035956 [1,0,0,0,1,0|2,0,0]=4 178 B6R1.2 NC1=NNC=C1 B007331 [1,0,0,0,1,0|2,0,0]=4 179 B6R1.2 NC1=NNC=C1 B037276 [1,0,0,0,1,0|2,0,0]=4