0 B8R1.8 BrCCC1=CC=CS1 HR139597 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCC1=CSC=C1 HR111780 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CCCC1=NC=CN1 HR125523 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 CCCC1=NC=CS1 HR129777 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.8 CCCN1C=CC=N1 HR153199 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 CCCc1cccs1 HR132275 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 CCOC1=NC=CS1 HR132829 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.8 CCSC1=NN=NN1 HR135530 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.8 CNCC1=CC=CS1 HR110963 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.8 CNCC1=CC=CS1 HR117241 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 CNCC1=NC=CS1 HR111086 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 CNCC1=NOC=C1 HR104509 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 COCC1=CC=CS1 HR153359 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 CSCC1=CC=CO1 HR129428 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.8 ClCCC1=CC=CS1 HR118860 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 ClCCC1=NC=CN1 HR104772 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 N#CCC1=CC=CS1 HR134457 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.8 NCCC1=CC=CO1 HR118527 [0,0,0,0,0,0|3,1,0]=4 18 B8R1.8 NCCC1=CC=CS1 HR127239 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.8 NCCC1=CNC=N1 HR122599 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 NCCC1=CNC=N1 HR135573 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.8 NCCC1=CNC=N1 HR135577 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 NCCN1C=CC=N1 HR108678 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.8 O=C=NC1=CC=CS1 HR115610 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.8 O=CCC1=CC=CS1 HR104291 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.8 OCCC1=CC=CS1 HR126977 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.8 OCCC1=CNC=N1 HR138319 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.8 O\N=C\C1=CC=CS1 HR153327 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.1 BrCC1=CC=CS1 HR107794 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.1 BrCC1=CN=CS1 HR111858 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 BrCC1=CSC=N1 HR112334 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 BrCC1=NC=CN1 HR106504 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.1 BrCC1=NC=CS1 HR110806 [1,0,0,0,0,0|1,0,0]=2 33 B7R1.1 Br[Mg]c1cccs1 HR115567 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 C#CC1=CC=CS1 HR115815 [1,0,0,0,0,0|1,0,2]=4 35 B7R1.1 C=CC1=CC=CS1 HR127371 [1,0,0,0,0,0|1,0,2]=4 36 B7R1.1 CCC1=CC=CO1 HR125873 [1,0,0,0,0,0|1,1,0]=3 37 B7R1.1 CCC1=CC=CS1 HR111385 [1,0,0,0,0,0|1,0,0]=2 38 B7R1.1 CCC1=CSC=C1 HR124094 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 CCC1=NC=CN1 HR15972 [1,0,0,0,0,0|1,0,0]=2 40 B7R1.1 CCC1=NC=CS1 HR130841 [1,0,0,0,0,0|0,0,0]=1 41 B7R1.1 CCC1=NCCO1 HR131444 [1,0,0,0,0,0|0,1,2]=4 42 B7R1.1 CCN1C=CC=C1 HR125020 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CCN1C=CC=N1 HR102255 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.1 CCN1C=NC=N1 HR113069 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 CNC1=COC=N1 HR112378 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 CNC1=NC=CS1 HR148142 [1,0,0,0,0,0|1,0,0]=2 47 B7R1.1 COC1=CC=CS1 HR128854 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.1 COC1=CSC=C1 HR138278 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 COC1=NC=CS1 HR146614 [1,0,0,0,0,0|0,0,0]=1 50 B7R1.1 COC1=NCCN1 HR121684 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.1 CSC1=CC=CS1 HR119424 [1,0,0,0,0,0|1,1,0]=3 52 B7R1.1 CSC1=NCCS1 HR105452 [1,0,0,0,0,0|0,1,2]=4 53 B7R1.1 CSC1=NCCS1 HR124600 [1,0,0,0,0,0|0,1,2]=4 54 B7R1.1 ClCC1=CC=CS1 HR130983 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.1 ClCC1=CN=CS1 HR112175 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 ClCC1=CNC=N1 HR105878 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 ClCC1=CSC=N1 HR108408 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 ClCC1=CSC=N1 HR113899 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 ClCC1=NC=CN1 HR106818 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 ClCC1=NC=CO1 HR106973 [1,0,0,0,0,0|1,1,0]=3 61 B7R1.1 ClCC1=NC=CS1 HR111125 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.1 ClCC1=NNC=C1 HR31924 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 ClCC1=NOC=N1 HR112797 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 N#CC1=CC=CS1 HR127173 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 N#CC1=NC=CS1 HR147828 [1,0,0,0,0,0|1,0,1]=3 66 B7R1.1 NCC1=CC=CN1 HR148675 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.1 NCC1=CC=CS1 HR128270 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.1 NCC1=CN=CS1 HR109298 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 NCC1=COC=N1 HR106091 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 NCC1=NC=CN1 HR115302 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 NCC1=NC=CN1 HR117949 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 NCC1=NC=CO1 HR121937 [1,0,0,0,0,0|1,1,0]=3 73 B7R1.1 NCC1=NC=CS1 HR117910 [1,0,0,0,0,0|1,0,0]=2 74 B7R1.1 NCC1=NC=CS1 HR118256 [1,0,0,0,0,0|1,0,0]=2 75 B7R1.1 NCC1=NN=CO1 HR32217 [1,0,0,0,0,0|2,1,0]=4 76 B7R1.1 NCC1=NNC=C1 HR110853 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 NCC1=NOC=N1 HR116324 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 NCC1=NOC=N1 HR120542 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 NCC1=NSC=C1 HR102659 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 NCc1cncs1 HR117632 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.1 O=CC1=NC=CN1 HR137026 [1,0,0,0,0,0|2,0,1]=4 82 B7R1.1 O=CC1=NC=CO1 HR119983 [1,0,0,0,0,0|1,1,1]=4 83 B7R1.1 O=CC1=NC=CS1 HR136906 [1,0,0,0,0,0|1,0,1]=3 84 B7R1.1 O=Cc1cccs1 HR125923 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.1 OCC1=CC=CO1 HR147620 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.1 OCC1=CC=CS1 HR136423 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.1 OCC1=CC=NS1 HR114846 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 OCC1=CN=CS1 HR126084 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 OCC1=CNC=N1 HR138057 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 OCC1=COC=N1 HR121921 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 OCC1=CSC=N1 HR121654 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.1 OCC1=NC=CN1 HR146395 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.1 OCC1=NC=CO1 HR105529 [1,0,0,0,0,0|1,1,0]=3 94 B7R1.1 OCC1=NC=CS1 HR123878 [1,0,0,0,0,0|1,0,0]=2 95 B7R1.1 OCN1C=CC=N1 HR112118 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.1 SCC1=CC=CS1 HR139099 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.7 CCCC1=CSC(N)=N1 HR120059 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.7 CCCN1C=C(Br)C=N1 HR156684 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.7 CCOC1=NC(Br)=CS1 HR120039 [0,1,0,0,0,0|0,0,0]=1 100 B9R1.7 CNCC1=NC(C)=CS1 HR102831 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.7 COCC1=CC=C(Br)S1 HR153353 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.7 COCC1=NN=C(N)S1 HR148451 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.7 NCCC1=CC=C(Br)S1 HR104636 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.7 NCCc1ccc(Cl)s1 HR120576 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.11 CCC(=O)C1=CC=CN1 HR132813 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.11 CCC(=O)C1=CC=CS1 HR133080 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.11 CCC(=O)C1=NC=CS1 HR114779 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.11 COC(=O)C1=CC=CS1 HR136865 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.11 COC(=O)C1=NC=CS1 HR101832 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.11 NCC(=O)c1cccs1 HR114373 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.11 O=C(CBr)C1=CC=CS1 HR135660 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.11 O=C(CBr)C1=NC=CS1 HR120873 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.12 C=NCCC1=CC=CS1 HR118796 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.12 CCCCC1=CC=CS1 HR153368 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.12 CCCCN1C=CC=N1 HR153200 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.12 CCNCC1=CC=CS1 HR115954 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.12 OCCCC1=CC=CS1 HR103357 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.13 CC(=O)NC1=NC=CS1 HR141492 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.13 CC(C)CC1=NC=CS1 HR134446 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.13 CC(C)CN1C=CC=N1 HR153288 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.13 CC(N)CC1=CC=CS1 HR106138 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.13 O=C(O)Cc1nccs1 HR148328 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.33 CCOC1=C(C)N=CO1 HR8651 [0,1,0,0,0,0|2,1,0]=4 124 B7R0.1 CC\C=C\C=C\C=O HR130022 [0,0,1,0,0,0|2,1,0]=4 125 B7R0.7 C=C=CC(=O)OCC HR108306 [0,0,1,0,0,0|1,1,1]=4 126 B7R0.7 CCOC(=O)N=C=S FISA07802 [0,0,1,0,0,0|1,1,1]=4 127 B7R0.7 CCOC(=O)\C=C\I HR11670 [0,0,1,0,0,0|2,1,0]=4 128 B7R0.7 CCO\C(C)=N/C#N HR139602 [0,0,1,0,0,0|2,0,1]=4 129 B9R2.2 C1=CC(C2CC2)=NN1 HR110540 [0,0,0,1,0,0|3,0,0]=4 130 B9R2.2 C1=CNC(C2CC2)=N1 HR104592 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.8 BrCCC1=CC=CN=C1 HR145991 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.8 BrCCC1=NC=CC=C1 HR108401 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.8 BrCCC1=NC=CC=C1 HR140265 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.8 CCCC1=CC=NC=C1 HR126194 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.8 CCCC1=NC=CC=C1 HR129514 [0,0,0,0,0,1|2,0,0]=3 136 B9R1.8 CCOC1=CC=CC=C1 SOSA06013 [0,0,0,0,0,1|2,0,0]=3 137 B9R1.8 CCOC1=CC=CN=N1 HR148630 [0,0,0,0,0,1|1,0,0]=2 138 B9R1.8 CCOC1=NC=CC=C1 HR1126 [0,0,0,0,0,1|1,0,0]=2 139 B9R1.8 CCOC1=NC=CN=C1 HR132551 [0,0,0,0,0,1|1,0,0]=2 140 B9R1.8 CCOC1CCC=CO1 HR113159 [0,0,0,0,0,1|1,1,1]=4 141 B9R1.8 CNCC1=CC=CN=C1 HR115545 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.8 CNCC1=NC=CC=N1 HR148114 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.8 CNCC1=NC=CN=C1 HR146839 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.8 CNCC1=NC=NC=C1 HR120571 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.8 COCC1=NC=CC=C1 HR139025 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.8 ClCCC1=NC=CC=C1 HR142690 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.8 NCCC1=CC=CN=C1 HR134041 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.8 NCCC1=NC=CC=C1 HR141302 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.8 OCCC1=CC=CN=C1 HR117461 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.8 OCCC1=NC=CC=C1 HR132012 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.8 OCCC1=NC=CN=C1 HR109193 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.8 OCCC1=NC=NC=C1 HR112757 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.8 SCCC1=NC=CN=C1 HR126064 [0,0,0,0,0,1|3,0,0]=4 154 B6R0.6 CCC\C=C\C=O HR127670 [1,0,1,0,0,0|1,1,0]=4 155 B6R0.6 CCO\C=C\C#N HR109030 [1,0,1,0,0,0|0,0,2]=4 156 B6R0.1 C=CC(=O)CCC HR100488 [1,0,1,0,0,0|1,1,0]=4 157 B6R0.1 C=COC(=O)CC HR145643 [1,0,1,0,0,0|1,1,0]=4 158 B6R0.1 CCOC(=N)CCl HR112327 [1,0,1,0,0,0|1,0,1]=4 159 B6R0.1 CCOC(=O)C=O HR130872 [1,0,1,0,0,0|1,1,0]=4 160 B6R0.1 CCOC(=S)S[Na] HR127866 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.1 CCO\C(C)=N/O SIJL01004 [1,0,1,0,0,0|1,0,1]=4 162 B6R1.2 BrC1=CC=CS1 HR34180 [2,0,0,0,0,0|2,0,0]=4 163 B6R1.2 BrC1=NC=CN1 HR126116 [2,0,0,0,0,0|2,0,0]=4 164 B6R1.2 BrC1=NC=CO1 HR107371 [2,0,0,0,0,0|1,1,0]=4 165 B6R1.2 BrC1=NC=CS1 HR125698 [2,0,0,0,0,0|1,0,0]=3 166 B6R1.2 BrC1=NC=NS1 HR104243 [2,0,0,0,0,0|2,0,0]=4 167 B6R1.2 BrC1=NN=CS1 HR120197 [2,0,0,0,0,0|2,0,0]=4 168 B6R1.2 CC1=CC=CN1 HR147294 [2,0,0,0,0,0|1,0,1]=4 169 B6R1.2 CC1=CC=CS1 HR131866 [2,0,0,0,0,0|1,0,0]=3 170 B6R1.2 CC1=CN=CS1 HR128769 [2,0,0,0,0,0|2,0,0]=4 171 B6R1.2 CC1=CNC=N1 HR7153 [2,0,0,0,0,0|2,0,0]=4 172 B6R1.2 CC1=COC=N1 HR121299 [2,0,0,0,0,0|2,0,0]=4 173 B6R1.2 CC1=CSC=N1 HR132874 [2,0,0,0,0,0|2,0,0]=4 174 B6R1.2 CC1=NC=CN1 HR135019 [2,0,0,0,0,0|1,0,0]=3 175 B6R1.2 CC1=NC=CS1 HR128073 [2,0,0,0,0,0|0,0,0]=2 176 B6R1.2 CC1=NCCS1 HR124488 [2,0,0,0,0,0|0,0,2]=4 177 B6R1.2 CC1=NNC=C1 HR13253 [2,0,0,0,0,0|2,0,0]=4 178 B6R1.2 CC1=NNC=N1 FOXF01203 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.2 CC1=NOC=C1 HR104498 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.2 CC1=NSC=C1 HR105128 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 CN1C=CC=N1 HR128244 [2,0,0,0,0,0|2,0,0]=4 182 B6R1.2 ClC1=CC=CS1 HR130520 [2,0,0,0,0,0|2,0,0]=4 183 B6R1.2 ClC1=NC=CN1 HR120395 [2,0,0,0,0,0|2,0,0]=4 184 B6R1.2 ClC1=NC=CO1 HR102063 [2,0,0,0,0,0|1,1,0]=4 185 B6R1.2 ClC1=NC=CS1 HR135175 [2,0,0,0,0,0|1,0,0]=3 186 B6R1.2 ClC1=NC=NS1 HR121194 [2,0,0,0,0,0|2,0,0]=4 187 B6R1.2 FC1=CC=CS1 HR116433 [2,0,0,0,0,0|2,0,0]=4 188 B6R1.2 FC1=NC=CN1 HR111959 [2,0,0,0,0,0|2,0,0]=4 189 B6R1.2 IC1=CC=CS1 HR133352 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 IC1=NC=CN1 HR127196 [2,0,0,0,0,0|2,0,0]=4 191 B6R1.2 IC1=NN=CS1 HR119640 [2,0,0,0,0,0|2,0,0]=4 192 B6R1.2 NC1=CC=CS1 HR102647 [2,0,0,0,0,0|2,0,0]=4 193 B6R1.2 NC1=NC=CN1 HR125916 [2,0,0,0,0,0|2,0,0]=4 194 B6R1.2 NC1=NC=CN1 HR146724 [2,0,0,0,0,0|2,0,0]=4 195 B6R1.2 NC1=NC=CN1 HR8378 [2,0,0,0,0,0|2,0,0]=4 196 B6R1.2 NC1=NC=CO1 HR133033 [2,0,0,0,0,0|1,1,0]=4 197 B6R1.2 NC1=NC=CS1 HR124885 [2,0,0,0,0,0|1,0,0]=3 198 B6R1.2 NC1=NC=NS1 HR11136 [2,0,0,0,0,0|2,0,0]=4 199 B6R1.2 NC1=NC=NS1 HR121510 [2,0,0,0,0,0|2,0,0]=4 200 B6R1.2 NC1=NN=CS1 HR132092 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 OC1=NC=CS1 HR147755 [2,0,0,0,0,0|0,0,0]=2 202 B6R1.2 SC1=CC=CS1 HR128217 [2,0,0,0,0,0|1,1,0]=4 203 B6R1.2 SC1=NC=CS1 HR127107 [2,0,0,0,0,0|0,1,0]=3 204 B6R1.2 Sc1nncs1 HR10119 [2,0,0,0,0,0|1,1,0]=4 205 B8R0.1 CCOC(=O)\C=C\C=O HR120200 [0,1,1,0,0,0|1,1,0]=4 206 B8R0.1 C\C=C\CC(=O)OCC HR142218 [0,1,1,0,0,0|2,0,0]=4 207 B8R1.1 BrCC1=CC=C(Br)S1 HR102730 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.1 CC1=CC=C(CN)S1 HR103044 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.1 CC1=CN=C(C=O)S1 HR147497 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.1 CC1=CSC(CO)=C1 HR155961 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.1 CC1=CSC(CO)=N1 HR106643 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.1 CCC1=CC=C(C)S1 HR107230 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.1 CCC1=NC(C)=CN1 HR127274 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.1 CCC1=NC(C)=CS1 HR130200 [1,1,0,0,0,0|0,0,0]=2 215 B8R1.1 CCC1=NN=C(N)S1 HR137915 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.1 CCC1=NOC(N)=C1 HR107744 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.1 CCN1C=C(Br)C=N1 HR153172 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.1 CCN1C=CC(N)=N1 HR118461 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.1 COC1=NC(Br)=CS1 HR148887 [1,1,0,0,0,0|0,0,0]=2 220 B8R1.1 COC1=NC=C(Br)S1 HR148886 [1,1,0,0,0,0|0,0,0]=2 221 B8R1.1 CSC1=CC(Br)=CS1 HR153247 [1,1,0,0,0,0|1,1,0]=4 222 B8R1.1 CSC1=CC(C)=CS1 HR153245 [1,1,0,0,0,0|1,1,0]=4 223 B8R1.1 CSC1=CC=C(Br)S1 HR153255 [1,1,0,0,0,0|1,1,0]=4 224 B8R1.1 CSC1=NN=C(N)S1 HR112102 [1,1,0,0,0,0|1,1,0]=4 225 B8R1.1 Cc1csc(C=O)n1 HR121106 [1,1,0,0,0,0|1,0,1]=4 226 B8R1.1 ClCC1=CC=C(Cl)S1 HR103396 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.1 N#CC1=NC(Br)=CS1 HR33412 [1,1,0,0,0,0|1,0,1]=4 228 B8R1.1 NCC1=CC=C(Br)S1 HR103535 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.1 NCC1=CC=C(Cl)S1 HR120256 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.1 O=CC1=NC(Br)=CS1 HR118135 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.1 OCC1=CC(Br)=CS1 HR142417 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.1 OCC1=CC=C(Br)S1 HR115761 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.1 OCC1=NC(Br)=CS1 HR108287 [1,1,0,0,0,0|1,0,0]=3 234 B8R1.7 CC(=O)C1=CC=CS1 HR125914 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.7 CC(=O)C1=NC=CN1 HR107500 [1,1,0,0,0,0|1,0,1]=4 236 B8R1.7 CC(=O)C1=NC=CO1 HR121608 [1,1,0,0,0,0|0,1,1]=4 237 B8R1.7 CC(=O)C1=NC=CS1 HR125652 [1,1,0,0,0,0|0,0,1]=3 238 B8R1.7 CC(C)C1=CC=CO1 HR128818 [1,1,0,0,0,0|1,1,0]=4 239 B8R1.7 CC(C)C1=NC=CN1 HR125779 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.7 CC(C)C1=NNC=C1 HR110885 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.7 CC(C)N1C=CC=N1 HR156584 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.7 CC(N)C1=CC=CS1 HR106452 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.7 CC(N)C1=NC=CS1 HR108496 [1,1,0,0,0,0|0,0,0]=2 244 B8R1.7 CC(O)C1=CC=CO1 HR110830 [1,1,0,0,0,0|1,1,0]=4 245 B8R1.7 N=C(N)c1nccs1 HR140704 [1,1,0,0,0,0|1,0,1]=4 246 B8R1.7 NC(=O)C1=NC=CS1 HR119681 [1,1,0,0,0,0|1,0,1]=4 247 B8R1.7 O=C(O)C1=NC=CS1 HR32050 [1,1,0,0,0,0|1,0,1]=4 248 B8R1.11 CC1=C(CN)SC=C1 HR120374 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.11 CC1=C(CO)SC=C1 HR109280 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.11 CCN1N=CC=C1N HR136975 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.11 CN1C=CN=C1CO HR9047 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.11 CSC1=C(Br)C=CS1 HR153246 [1,1,0,0,0,0|1,1,0]=4 253 B10R1.1 CCOC1=CC=C(Br)C=C1 HR138615 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.1 CCOC1=CC=C(Cl)C=C1 HR129965 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.1 CCOC1=CC=C(Cl)N=N1 HR153406 [0,1,0,0,0,1|1,0,0]=3 256 B10R1.1 CCOC1=CC=C(F)C=C1 HR153169 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.1 CCOC1=CC=C(I)C=C1 HR129746 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.1 CCOC1=CC=C(N)N=N1 HR147551 [0,1,0,0,0,1|1,0,0]=3 259 B10R1.1 CCOC1=CC=C(O)C=C1 HR136870 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.1 CCOC1=CN=C(Cl)C=C1 HR114049 [0,1,0,0,0,1|1,0,0]=3 261 B10R1.1 CCOC1=CN=C(N)C=C1 HR106345 [0,1,0,0,0,1|1,0,0]=3 262 B10R1.1 CCOC1=CN=C(N)N=C1 HR107998 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.1 CCOC1=NC=C(Br)C=C1 HR6235 [0,1,0,0,0,1|1,0,0]=3 264 B10R1.1 CCOC1=NC=C(C)N=C1 HR125002 [0,1,0,0,0,1|1,0,0]=3 265 B10R1.1 CCOC1=NC=C(Cl)C=C1 HR155975 [0,1,0,0,0,1|1,0,0]=3 266 B10R1.1 CCOC1=NC=C(F)C=C1 HR153075 [0,1,0,0,0,1|1,0,0]=3 267 B10R1.1 CCOC1=NC=C(N)C=C1 HR102693 [0,1,0,0,0,1|1,0,0]=3 268 B10R1.4 CCCC1=C(C)C=CN=C1 HR152912 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.4 CCCC1=NC=NC=C1Br HR107265 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.4 CCNC1=NC=CN=C1N HR147238 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.4 CCOC1=C(Br)C=CC=C1 HR3136 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.4 CCOC1=C(Br)C=NC=C1 HR33456 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.4 CCOC1=C(Cl)C=CC=C1 HR143151 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.4 CCOC1=C(F)C=CC=C1 HR153838 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.4 CCOC1=C(N)C=CN=C1 HR32244 [0,1,0,0,0,1|1,0,0]=3 276 B10R1.4 CCOC1=C(O)C=CC=C1 HR134039 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.4 CCOC1=CC=CN=C1C HR33539 [0,1,0,0,0,1|1,0,0]=3 278 B10R1.4 CCOC1=CC=CN=C1F HR152949 [0,1,0,0,0,1|1,0,0]=3 279 B10R1.4 CCOC1=NC=CC=C1Br HR109498 [0,1,0,0,0,1|1,0,0]=3 280 B10R1.4 CCOC1=NC=CC=C1Cl HR155974 [0,1,0,0,0,1|1,0,0]=3 281 B10R1.4 CCOC1=NC=CN=C1C HR134737 [0,1,0,0,0,1|1,0,0]=3 282 B10R1.4 CCOC1=NC=CN=C1N HR147241 [0,1,0,0,0,1|1,0,0]=3 283 B10R1.10 CCCC1=CC=CC(N)=N1 HR111110 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.10 CCNC1=NC(Cl)=CN=C1 HR119471 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.10 CCNC1=NC=CC(N)=C1 HR105537 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.10 CCOC1=CC(C)=CN=C1 HR152848 [0,1,0,0,0,1|1,0,0]=3 287 B10R1.10 CCOC1=CC(Cl)=NC=C1 HR152741 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.10 CCOC1=CC(F)=CC=C1 HR101569 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.10 CCOC1=CC(N)=NC=C1 HR5698 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.10 CCOC1=CC(N)=NC=N1 HR34008 [0,1,0,0,0,1|1,0,0]=3 291 B10R1.10 CCOC1=CC=CC(Cl)=N1 HR121773 [0,1,0,0,0,1|1,0,0]=3 292 B10R1.10 CCOC1=CC=CC(O)=C1 HR125705 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.10 CCOC1=CC=CC(S)=C1 HR135528 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.10 CCOC1=CN=CC(Br)=C1 HR121300 [0,1,0,0,0,1|1,0,0]=3 295 B10R1.10 CCOC1=CN=CC(Cl)=C1 HR33377 [0,1,0,0,0,1|1,0,0]=3 296 B10R1.10 CCOC1=NC(C)=CN=C1 HR125270 [0,1,0,0,0,1|1,0,0]=3 297 B10R1.10 CCOC1=NC=CC(Br)=C1 HR152759 [0,1,0,0,0,1|1,0,0]=3 298 B10R1.10 CCOC1=NC=CC(Br)=N1 HR120180 [0,1,0,0,0,1|1,0,0]=3 299 B10R1.10 CCOC1=NC=CC(Cl)=C1 HR148313 [0,1,0,0,0,1|1,0,0]=3 300 B10R1.10 CCOC1=NC=CC(I)=C1 HR152756 [0,1,0,0,0,1|1,0,0]=3 301 B10R1.10 CCOC1=NC=CC(N)=C1 HR132290 [0,1,0,0,0,1|1,0,0]=3 302 B10R1.10 CCOC1=NC=CC(N)=N1 HR107818 [0,1,0,0,0,1|1,0,0]=3 303 B10R1.10 CCOC1=NC=NC(C)=C1 HR118662 [0,1,0,0,0,1|1,0,0]=3 304 B10R1.15 CCC(=O)C1=CC=CN=C1 HR113623 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.17 BrCCOC1=CC=CC=C1 HR153436 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.17 BrCCOC1=CC=CC=C1 HR3152 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.17 CCCCC1=NC=CC=C1 HR130041 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.17 CCCCC1=NC=CN=C1 HR117547 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.17 CCCOC1=CC=CC=C1 HR112246 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.17 CCNCC1=CC=CN=C1 HR144925 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.17 CCOCC1=CC=CC=C1 HR135944 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.17 CNCCc1ccccn1 HR108850 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.17 CNCCc1ccccn1 HR138471 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.17 CNCCc1ccccn1 HR138733 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.17 ClCCOC1=CC=CC=C1 HR138715 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.17 N#CCOC1=NC=CC=C1 HR107670 [0,1,0,0,0,1|1,0,1]=4 317 B10R1.17 NCCCC1=NC=CC=C1 HR110635 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.17 NCCOC1=CC=CC=C1 HR138452 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.17 OCCCc1ccccn1 HR136000 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.17 OCCOC1=CC=CC=C1 HR135852 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.18 CC(C)CC1=NC=CC=C1 HR131358 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.18 CC(C)CC1=NC=CN=C1 HR134173 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.18 CC(C)OC1=CC=CC=C1 HR137017 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.18 CC(C)OC1=NC=CC=C1 HR152560 [0,1,0,0,0,1|1,0,0]=3 325 B10R1.14 CCC(=O)C1=CC=C(C)S1 HR118488 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.14 COC(=O)C1=NC(C)=CS1 HR146463 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.14 COC(=O)C1=NC=C(C)S1 HR23005 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.54 CC(=O)NC1=NC(Br)=CS1 HR31804 [0,2,0,0,0,0|1,0,1]=4 329 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 HR31803 [0,2,0,0,0,0|1,0,1]=4 330 B10R1.54 CC(=O)NC1=NC=C(Br)S1 HR148885 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.54 CC1=CSC(CC(C)C)=N1 HR131094 [0,2,0,0,0,0|1,0,0]=3 332 B10R1.96 CCCC1=CC=C(C=O)S1 HR153372 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.11 CCOC(=O)C1=CC=CN1 HR14843 [0,2,0,0,0,0|1,0,1]=4 334 B10R1.11 CCOC(=O)C1=CC=CO1 HR131883 [0,2,0,0,0,0|1,1,0]=4 335 B10R1.11 CCOC(=O)C1=CC=CS1 HR123759 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.11 CCOC(=O)C1=CN=CS1 HR133317 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.11 CCOC(=O)C1=CNC=N1 HR30079 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.11 CCOC(=O)C1=COC=N1 HR15937 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.11 CCOC(=O)C1=CSC=N1 HR143288 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.11 CCOC(=O)C1=NC=CN1 HR112529 [0,2,0,0,0,0|1,0,0]=3 341 B10R1.11 CCOC(=O)C1=NC=CO1 HR102588 [0,2,0,0,0,0|0,1,0]=3 342 B10R1.11 CCOC(=O)C1=NNC=C1 HR115529 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.11 CCOC(C)N1C=CC=N1 HR153261 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.21 CCCCCC1=CC=CS1 HR130563 [0,2,0,0,0,0|2,0,0]=4 345 B8R1.2 CCC1=NC=CN=C1 HR127547 [0,0,1,1,0,0|2,0,0]=4 346 B8R1.4 CC1=NC(S)=NC=C1 HR143163 [0,0,1,1,0,0|1,0,1]=4 347 B10R2.7 C1=CC2=C(C=C1)OCC2 HR135384 [0,0,0,1,0,1|2,0,0]=4 348 B10R2.7 C1=CN=C2NCCC2=C1 HR105139 [0,0,0,1,0,1|2,0,0]=4 349 B10R2.7 C1=NC=C2NCCC2=C1 HR117707 [0,0,0,1,0,1|2,0,0]=4 350 B10R2.7 c1cnc2c(c1)CCC2 HR128445 [0,0,0,1,0,1|2,0,0]=4 351 B10R2.2 NC1CC2=NC=CN2C1 HR33799 [0,1,0,1,0,0|2,0,0]=4 352 B10R2.32 O=C1CCC2=C1SC=C2 HR147405 [0,1,0,1,0,0|2,0,0]=4