0 B7R1.2 BrC1=COC(Br)=C1 HR146341 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 BrC1=CSC(Br)=C1 HR124329 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CC1=CC(=O)CC1 HR137516 [0,0,0,0,0,0|0,0,0]=0 3 B7R1.2 CC1=CC(=O)CO1 HR119186 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.2 CC1=CC(=O)NN1 HR133409 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.2 CC1=CC(=O)OC1 HR118210 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.2 CC1=CC(Br)=CS1 HR129329 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.2 CC1=CC(Br)=NN1 HR109901 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 CC1=CC(C)=NN1 HR122101 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=CC(C)=NO1 HR126201 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=CC(N)=CS1 HR107971 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.2 CC1=CC(N)=NN1 HR128329 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=CC(N)=NO1 HR134442 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 CC1=CC=C(Br)O1 HR117458 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.2 CC1=CC=C(Br)S1 HR138580 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.2 CC1=CC=C(C)N1 HR127998 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.2 CC1=CC=C(C)S1 HR126900 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.2 CC1=CC=C(Cl)S1 HR122756 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.2 CC1=CC=C(I)S1 HR103673 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.2 CC1=CCC(=O)O1 HR136942 [0,0,0,0,0,0|1,0,1]=2 20 B7R1.2 CC1=CN(C)N=C1 HR139700 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 CC1=CN=C(Br)S1 HR106549 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.2 CC1=CN=C(C)S1 HR137694 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.2 CC1=CN=C(Cl)S1 HR146612 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.2 CC1=CN=C(N)N1 HR113658 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.2 CC1=CN=C(N)O1 HR115333 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 CC1=CN=C(N)S1 HR132017 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.2 CC1=CNC(C)=C1 HR129042 [0,0,0,0,0,0|2,0,1]=3 28 B7R1.2 CC1=CNC(C)=N1 HR126305 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 CC1=CNC(I)=N1 HR122057 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.2 CC1=COC(N)=N1 HR115657 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.2 CC1=CSC(Br)=N1 HR115963 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.2 CC1=CSC(C)=C1 HR101719 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.2 CC1=CSC(C)=N1 HR133885 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.2 CC1=CSC(N)=C1 HR103206 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.2 CC1=CSC(N)=N1 HR100077 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.2 CC1=CSC(N)=N1 HR125241 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 CC1=NC(Br)=CN1 HR138270 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.2 CC1=NC(Br)=CS1 HR108281 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.2 CC1=NC(I)=CN1 HR111898 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.2 CC1=NC(I)=CS1 HR30651 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.2 CC1=NC=C(Br)S1 HR106603 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.2 CC1=NC=C(I)S1 HR30443 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 CC1=NC=C(N)S1 HR118663 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.2 CC1=NN=C(Br)S1 HR146611 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.2 CC1=NN=C(N)N1 HR32428 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.2 CC1=NN=C(N)S1 HR137664 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.2 CC1=NNC(=O)C1 HR133577 [0,0,0,0,0,0|2,0,1]=3 48 B7R1.2 CC1=NNC(=O)O1 HR134101 [0,0,0,0,0,0|3,0,0]=3 49 B7R1.2 CC1=NNC(=S)S1 HR138655 [0,0,0,0,0,0|3,1,0]=4 50 B7R1.2 CC1=NNC(C)=N1 HR121391 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.2 CC1=NNC(Cl)=C1 HR121939 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.2 CC1=NOC(N)=C1 HR125110 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.2 CC1=NOC(N)=N1 HR118723 [0,0,0,0,0,0|4,0,0]=4 54 B7R1.2 CC1=NSC(Cl)=N1 HR109530 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.2 CC1=NSC(N)=C1 HR105438 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.2 CC1=NSC(N)=C1 HR105753 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.2 CC1=NSC(N)=N1 HR137823 [0,0,0,0,0,0|4,0,0]=4 58 B7R1.2 CC1CCC(=O)O1 HR126256 [0,0,0,0,0,0|1,0,1]=2 59 B7R1.2 CC1CCC(N)C1 HR109161 [0,0,0,0,0,0|1,0,3]=4 60 B7R1.2 CC1CNC(=O)C1 HR146359 [0,0,0,0,0,0|1,0,2]=3 61 B7R1.2 CC1CNC(=O)C1 HR146360 [0,0,0,0,0,0|1,0,2]=3 62 B7R1.2 CC1CNC(=O)C1 HR146369 [0,0,0,0,0,0|1,0,2]=3 63 B7R1.2 CC1COC(=O)O1 HR125363 [0,0,0,0,0,0|2,0,1]=3 64 B7R1.2 CC1COC(=O)O1 HR128407 [0,0,0,0,0,0|2,0,1]=3 65 B7R1.2 CC1COC(=O)O1 HR129273 [0,0,0,0,0,0|2,0,1]=3 66 B7R1.2 CN1C=C(Br)C=N1 HR138517 [0,0,0,0,0,0|3,0,1]=4 67 B7R1.2 CN1C=C(Br)N=N1 HR104271 [0,0,0,0,0,0|4,0,0]=4 68 B7R1.2 CN1C=C(Cl)C=N1 HR147855 [0,0,0,0,0,0|3,0,1]=4 69 B7R1.2 CN1C=C(I)C=N1 HR108777 [0,0,0,0,0,0|3,0,1]=4 70 B7R1.2 CN1C=C(N)C=N1 HR120667 [0,0,0,0,0,0|3,0,1]=4 71 B7R1.2 CN1C=C(N)C=N1 HR147768 [0,0,0,0,0,0|3,0,1]=4 72 B7R1.2 CN1C=NC(Br)=C1 HR103329 [0,0,0,0,0,0|3,0,1]=4 73 B7R1.2 CN1C=NC(I)=C1 HR128597 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.2 CN1C=NC(N)=C1 HR108282 [0,0,0,0,0,0|3,0,1]=4 75 B7R1.2 CN1CCC(=O)C1 HR102484 [0,0,0,0,0,0|1,0,1]=2 76 B7R1.2 CN1CCC(N)C1 HR114870 [0,0,0,0,0,0|2,0,2]=4 77 B7R1.2 CN1CCC(O)C1 HR127095 [0,0,0,0,0,0|1,0,3]=4 78 B7R1.2 CN1CCC(O)C1 HR138502 [0,0,0,0,0,0|1,0,3]=4 79 B7R1.2 CN1CCC(O)C1 HR138762 [0,0,0,0,0,0|1,0,3]=4 80 B7R1.2 Cc1cc(=O)no1 HR137393 [0,0,0,0,0,0|2,0,0]=2 81 B7R1.2 Cc1coc(C)n1 HR130593 [0,0,0,0,0,0|3,0,1]=4 82 B7R1.2 ClC1=CC(Br)=CS1 HR103371 [0,0,0,0,0,0|3,0,1]=4 83 B7R1.2 NC1=CC(=O)NN1 HR148354 [0,0,0,0,0,0|3,0,0]=3 84 B7R1.2 NC1=CC(N)=NN1 HR118039 [0,0,0,0,0,0|4,0,0]=4 85 B7R1.2 NC1=CSC(Cl)=C1 HR109607 [0,0,0,0,0,0|3,0,1]=4 86 B7R1.2 NC1=NC(=O)CS1 HR101133 [0,0,0,0,0,0|3,0,0]=3 87 B7R1.2 NC1=NC(=O)NN1 HR112030 [0,0,0,0,0,0|4,0,0]=4 88 B7R1.2 NC1=NNC(Br)=C1 HR111174 [0,0,0,0,0,0|4,0,0]=4 89 B7R1.2 NC1=NNC(O)=C1 HR11239 [0,0,0,0,0,0|3,0,1]=4 90 B7R1.2 NC1=NNC(O)=C1 HR148233 [0,0,0,0,0,0|3,0,1]=4 91 B7R1.2 NC1CCC(=O)C1 HR145995 [0,0,0,0,0,0|1,0,2]=3 92 B7R1.2 NC1COC(=O)C1 HR14757 [0,0,0,0,0,0|2,0,2]=4 93 B7R1.2 NC1COC(=O)C1 HR14758 [0,0,0,0,0,0|2,0,2]=4 94 B7R1.2 O=C1C=C(O)CN1 HR104155 [0,0,0,0,0,0|2,0,0]=2 95 B7R1.2 O=C1C=C(O)CO1 HR100679 [0,0,0,0,0,0|2,0,0]=2 96 B7R1.2 O=C1C=CC(=O)N1 HR130748 [0,0,0,0,0,0|2,0,2]=4 97 B7R1.2 O=C1C=CC(=O)O1 HR146919 [0,0,0,0,0,0|2,0,2]=4 98 B7R1.2 O=C1CC(O)CN1 HR138458 [0,0,0,0,0,0|2,0,2]=4 99 B7R1.2 O=C1CC(O)CN1 HR138722 [0,0,0,0,0,0|2,0,2]=4 100 B7R1.2 O=C1CC(O)CN1 HR145864 [0,0,0,0,0,0|2,0,2]=4 101 B7R1.2 O=C1CC(O)CO1 HR126625 [0,0,0,0,0,0|2,0,2]=4 102 B7R1.2 O=C1CC(O)CO1 HR127054 [0,0,0,0,0,0|2,0,2]=4 103 B7R1.2 O=C1CC(S)CN1 HR112550 [0,0,0,0,0,0|2,0,2]=4 104 B7R1.2 O=C1CCC(=O)C1 HR130125 [0,0,0,0,0,0|1,0,1]=2 105 B7R1.2 O=C1CCC(=O)N1 HR135734 [0,0,0,0,0,0|2,0,0]=2 106 B7R1.2 O=C1CCC(=O)O1 HR135468 [0,0,0,0,0,0|2,0,0]=2 107 B7R1.2 O=C1CNC(=O)N1 HR128930 [0,0,0,0,0,0|3,0,0]=3 108 B7R1.2 O=C1COC(=O)C1 HR100364 [0,0,0,0,0,0|2,0,1]=3 109 B7R1.2 O=C1COC(=O)N1 HR103401 [0,0,0,0,0,0|3,0,0]=3 110 B7R1.2 O=C1CSC(=O)N1 HR137564 [0,0,0,0,0,0|3,0,0]=3 111 B7R1.2 O=C1CSC(=S)N1 HR125272 [0,0,0,0,0,0|3,0,0]=3 112 B7R1.2 O=C1OCC(Cl)O1 HR123970 [0,0,0,0,0,0|3,0,1]=4 113 B7R1.2 O=C1OCC(F)O1 HR135652 [0,0,0,0,0,0|3,0,1]=4 114 B6R1.2 BrC1=CC=CO1 HR132225 [1,0,0,0,0,0|2,0,1]=4 115 B6R1.2 BrC1=CC=CS1 HR34180 [1,0,0,0,0,0|2,0,1]=4 116 B6R1.2 BrC1=CNC=C1 HR106799 [1,0,0,0,0,0|2,0,1]=4 117 B6R1.2 BrC1=COC=C1 HR8830 [1,0,0,0,0,0|2,0,1]=4 118 B6R1.2 BrC1=CSC=C1 HR126013 [1,0,0,0,0,0|2,0,1]=4 119 B6R1.2 BrC1=NNC=C1 HR117565 [1,0,0,0,0,0|3,0,0]=4 120 B6R1.2 BrC1=NSC=C1 HR109115 [1,0,0,0,0,0|3,0,0]=4 121 B6R1.2 CC1=CC=CN1 HR147294 [1,0,0,0,0,0|1,0,1]=3 122 B6R1.2 CC1=CC=CS1 HR131866 [1,0,0,0,0,0|1,0,1]=3 123 B6R1.2 CC1=CC=NN1 HR10442 [1,0,0,0,0,0|2,0,0]=3 124 B6R1.2 CC1=CC=NO1 HR131159 [1,0,0,0,0,0|2,0,0]=3 125 B6R1.2 CC1=CN=CS1 HR128769 [1,0,0,0,0,0|2,0,1]=4 126 B6R1.2 CC1=CNC=C1 HR13921 [1,0,0,0,0,0|1,0,1]=3 127 B6R1.2 CC1=CNC=N1 HR7153 [1,0,0,0,0,0|2,0,1]=4 128 B6R1.2 CC1=CNN=C1 HR13055 [1,0,0,0,0,0|2,0,1]=4 129 B6R1.2 CC1=CNN=N1 HR148271 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 CC1=COC=C1 HR125178 [1,0,0,0,0,0|1,0,1]=3 131 B6R1.2 CC1=COC=N1 HR121299 [1,0,0,0,0,0|2,0,1]=4 132 B6R1.2 CC1=CSC=N1 HR132874 [1,0,0,0,0,0|2,0,1]=4 133 B6R1.2 CC1=NC=CN1 HR135019 [1,0,0,0,0,0|2,0,1]=4 134 B6R1.2 CC1=NC=CS1 HR128073 [1,0,0,0,0,0|2,0,1]=4 135 B6R1.2 CC1=NCCC1 HR128050 [1,0,0,0,0,0|1,0,1]=3 136 B6R1.2 CC1=NCCS1 HR124488 [1,0,0,0,0,0|2,0,1]=4 137 B6R1.2 CC1=NNC=C1 HR13253 [1,0,0,0,0,0|2,0,0]=3 138 B6R1.2 CC1=NNC=N1 FOXF01203 [1,0,0,0,0,0|3,0,0]=4 139 B6R1.2 CC1=NOC=C1 HR104498 [1,0,0,0,0,0|2,0,0]=3 140 B6R1.2 CC1=NSC=C1 HR105128 [1,0,0,0,0,0|2,0,0]=3 141 B6R1.2 CC1CCCN1 HR11117 [1,0,0,0,0,0|1,0,2]=4 142 B6R1.2 CC1CCCN1 HR136768 [1,0,0,0,0,0|1,0,2]=4 143 B6R1.2 CC1CCCN1 HR137719 [1,0,0,0,0,0|1,0,2]=4 144 B6R1.2 CC1CCCN1 HR137972 [1,0,0,0,0,0|1,0,2]=4 145 B6R1.2 CC1CCCN1 HR138237 [1,0,0,0,0,0|1,0,2]=4 146 B6R1.2 CC1CCCO1 HR10841 [1,0,0,0,0,0|1,0,2]=4 147 B6R1.2 CC1CCNC1 HR117788 [1,0,0,0,0,0|1,0,2]=4 148 B6R1.2 CC1CCNC1 HR121513 [1,0,0,0,0,0|1,0,2]=4 149 B6R1.2 CC1CCNC1 HR142801 [1,0,0,0,0,0|1,0,2]=4 150 B6R1.2 CC1CCNC1 HR142900 [1,0,0,0,0,0|1,0,2]=4 151 B6R1.2 CC1CCNC1 HR143674 [1,0,0,0,0,0|1,0,2]=4 152 B6R1.2 CC1CCOC1 HR144126 [1,0,0,0,0,0|1,0,2]=4 153 B6R1.2 CC1CCSC1 HR124140 [1,0,0,0,0,0|1,0,2]=4 154 B6R1.2 CN1C=CC=C1 HR131584 [1,0,0,0,0,0|1,0,2]=4 155 B6R1.2 CN1C=CC=N1 HR128244 [1,0,0,0,0,0|2,0,1]=4 156 B6R1.2 CN1C=CN=C1 HR134754 [1,0,0,0,0,0|2,0,1]=4 157 B6R1.2 CN1C=CN=N1 HR32395 [1,0,0,0,0,0|3,0,0]=4 158 B6R1.2 CN1CCCC1 HR130486 [1,0,0,0,0,0|1,0,2]=4 159 B6R1.2 ClC1=CC=CS1 HR130520 [1,0,0,0,0,0|2,0,1]=4 160 B6R1.2 ClC1=CCCC1 HR140861 [1,0,0,0,0,0|1,0,1]=3 161 B6R1.2 ClC1=CSC=C1 HR130789 [1,0,0,0,0,0|2,0,1]=4 162 B6R1.2 FC1=CC=CS1 HR116433 [1,0,0,0,0,0|2,0,1]=4 163 B6R1.2 IC1=CC=CS1 HR133352 [1,0,0,0,0,0|2,0,1]=4 164 B6R1.2 IC1=CSC=C1 HR131727 [1,0,0,0,0,0|2,0,1]=4 165 B6R1.2 IC1=NNC=C1 HR148460 [1,0,0,0,0,0|3,0,0]=4 166 B6R1.2 NC1=CC=CN1 HR107433 [1,0,0,0,0,0|2,0,1]=4 167 B6R1.2 NC1=CC=CS1 HR102647 [1,0,0,0,0,0|2,0,1]=4 168 B6R1.2 NC1=CC=NN1 HR147285 [1,0,0,0,0,0|3,0,0]=4 169 B6R1.2 NC1=CC=NO1 HR120254 [1,0,0,0,0,0|3,0,0]=4 170 B6R1.2 NC1=CSC=C1 HR102995 [1,0,0,0,0,0|2,0,1]=4 171 B6R1.2 NC1=NCCC1 HR112379 [1,0,0,0,0,0|2,0,1]=4 172 B6R1.2 NC1=NCCC1 HR112697 [1,0,0,0,0,0|2,0,1]=4 173 B6R1.2 NC1=NNC=C1 HR11252 [1,0,0,0,0,0|3,0,0]=4 174 B6R1.2 NC1=NOC=C1 HR8627 [1,0,0,0,0,0|3,0,0]=4 175 B6R1.2 Nc1ccsc1 HR114587 [1,0,0,0,0,0|2,0,1]=4 176 B6R1.2 O=C1C=CCC1 HR136753 [1,0,0,0,0,0|0,0,0]=1 177 B6R1.2 O=C1C=CCO1 HR119486 [1,0,0,0,0,0|1,0,0]=2 178 B6R1.2 O=C1C=CON1 HR31911 [1,0,0,0,0,0|2,0,0]=3 179 B6R1.2 O=C1C=CSN1 HR146483 [1,0,0,0,0,0|2,0,0]=3 180 B6R1.2 O=C1CC=CC1 HR111189 [1,0,0,0,0,0|0,0,2]=3 181 B6R1.2 O=C1CCCC1 HR147576 [1,0,0,0,0,0|0,0,2]=3 182 B6R1.2 O=C1CCCN1 HR144424 [1,0,0,0,0,0|1,0,1]=3 183 B6R1.2 O=C1CCCN1 HR147307 [1,0,0,0,0,0|1,0,1]=3 184 B6R1.2 O=C1CCNC1 HR126926 [1,0,0,0,0,0|1,0,1]=3 185 B6R1.2 O=C1CCNC1 HR127189 [1,0,0,0,0,0|1,0,1]=3 186 B6R1.2 O=C1CCNN1 HR146471 [1,0,0,0,0,0|2,0,0]=3 187 B6R1.2 O=C1CCOC1 HR109194 [1,0,0,0,0,0|1,0,1]=3 188 B6R1.2 O=C1CCSC1 HR5575 [1,0,0,0,0,0|1,0,1]=3 189 B6R1.2 O=C1CNCN1 HR114619 [1,0,0,0,0,0|2,0,1]=4 190 B6R1.2 O=C1CO[Pt]O1 HR131319 [1,0,0,0,0,0|3,0,0]=4 191 B6R1.2 O=C1N=CN=N1 HR101779 [1,0,0,0,0,0|3,0,0]=4 192 B6R1.2 O=C1N=CNN1 HR123246 [1,0,0,0,0,0|3,0,0]=4 193 B6R1.2 O=C1NCCN1 HR124833 [1,0,0,0,0,0|2,0,1]=4 194 B6R1.2 O=C1NCCN1 HR138382 [1,0,0,0,0,0|2,0,1]=4 195 B6R1.2 O=C1NCCO1 HR134554 [1,0,0,0,0,0|2,0,1]=4 196 B6R1.2 O=C1NCCS1 HR14582 [1,0,0,0,0,0|2,0,1]=4 197 B6R1.2 O=C1OC=CO1 HR128933 [1,0,0,0,0,0|2,0,1]=4 198 B6R1.2 O=C1OCCO1 APSA06102 [1,0,0,0,0,0|2,0,1]=4 199 B6R1.2 OC1=CNC=C1 HR106486 [1,0,0,0,0,0|1,0,2]=4 200 B6R1.2 SC1=CC=CS1 HR128217 [1,0,0,0,0,0|1,1,1]=4 201 B6R1.2 SC1=CSC=C1 HR103982 [1,0,0,0,0,0|1,1,1]=4 202 B8R1.1 C=CC1CCC(=O)N1 HR117010 [0,1,0,0,0,0|1,0,2]=4 203 B8R1.1 C=CC1CCC(=O)O1 HR127408 [0,1,0,0,0,0|1,0,2]=4 204 B8R1.1 CC1=CC(C#N)=NN1 HR111801 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.1 CC1=CC(C=O)=CS1 HR33855 [0,1,0,0,0,0|1,0,1]=3 206 B8R1.1 CC1=CC(C=O)=NO1 HR103093 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.1 CC1=CC(CBr)=NO1 HR115000 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.1 CC1=CC(CCl)=NO1 HR102383 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.1 CC1=CC(CN)=NO1 HR103413 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.1 CC1=CC(CN)=NO1 HR118684 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.1 CC1=CC(CO)=NO1 HR137351 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.1 CC1=CC=C(C=O)O1 HR131275 [0,1,0,0,0,0|1,0,2]=4 213 B8R1.1 CC1=CC=C(C=O)S1 HR5205 [0,1,0,0,0,0|1,0,2]=4 214 B8R1.1 CC1=CN=C(C=O)N1 HR107317 [0,1,0,0,0,0|2,0,1]=4 215 B8R1.1 CC1=CN=C(C=O)S1 HR147497 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.1 CC1=CSC(C=O)=C1 HR153184 [0,1,0,0,0,0|1,0,1]=3 217 B8R1.1 CC1=CSC(CO)=C1 HR155961 [0,1,0,0,0,0|1,0,2]=4 218 B8R1.1 CC1=NC(C=O)=CO1 RESA02603 [0,1,0,0,0,0|2,0,1]=4 219 B8R1.1 CC1=NC(C=O)=CS1 HR105709 [0,1,0,0,0,0|2,0,1]=4 220 B8R1.1 CC1=NC=C(C=O)N1 HR108199 [0,1,0,0,0,0|2,0,1]=4 221 B8R1.1 CC1=NC=C(C=O)S1 HR121283 [0,1,0,0,0,0|2,0,1]=4 222 B8R1.1 CC1=NOC(C=O)=C1 HR108689 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.1 CC1=NOC(CBr)=C1 HR106983 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.1 CC1=NOC(CN)=C1 HR118262 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.1 CC1=NOC(CO)=C1 HR108372 [0,1,0,0,0,0|2,0,1]=4 226 B8R1.1 CCC1=CC(N)=NN1 HR103219 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.1 CCC1=CCC(C)=C1 HR108113 [0,1,0,0,0,0|1,0,1]=3 228 B8R1.1 CCC1=NOC(N)=C1 HR107744 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.1 CCC1CCC(=O)O1 HR137195 [0,1,0,0,0,0|1,0,1]=3 230 B8R1.1 CCN1CCC(=O)C1 HR113880 [0,1,0,0,0,0|1,0,1]=3 231 B8R1.1 CN1C=C(C=O)C=N1 HR33686 [0,1,0,0,0,0|2,0,1]=4 232 B8R1.1 CN1C=NC(C=O)=C1 HR107566 [0,1,0,0,0,0|2,0,1]=4 233 B8R1.1 COC1=CC(=O)NC1 HR133516 [0,1,0,0,0,0|1,0,0]=2 234 B8R1.1 COC1=CC(N)=NO1 HR129051 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.1 CSC1=CC(Br)=CS1 HR153247 [0,1,0,0,0,0|2,0,1]=4 236 B8R1.1 CSC1=CC(C)=CS1 HR153245 [0,1,0,0,0,0|1,1,1]=4 237 B8R1.1 CSC1=NNC(N)=C1 HR117112 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.1 Cc1csc(C=O)n1 HR121106 [0,1,0,0,0,0|2,0,1]=4 239 B8R1.1 NCc1cc(Br)no1 HR106352 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.1 O=C1CCC(CBr)N1 HR147112 [0,1,0,0,0,0|1,0,1]=3 241 B8R1.1 O=C1CCC(CO)N1 HR107754 [0,1,0,0,0,0|1,0,1]=3 242 B8R1.1 O=C1CCC(CO)N1 HR126441 [0,1,0,0,0,0|1,0,1]=3 243 B8R1.1 O=C1CCC(CO)N1 HR130096 [0,1,0,0,0,0|1,0,1]=3 244 B8R1.1 O=C1CCC(CO)O1 HR113766 [0,1,0,0,0,0|1,0,1]=3 245 B8R1.1 O=C1CCC(CO)O1 HR145842 [0,1,0,0,0,0|1,0,1]=3 246 B8R1.1 O=C1CCC(CO)O1 HR145872 [0,1,0,0,0,0|1,0,1]=3 247 B8R1.1 O=C1N=C(CCl)NN1 HR109020 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.1 O=C1NC(CI)CO1 HR146345 [0,1,0,0,0,0|2,0,1]=4 249 B8R1.1 O=C1NCC(CCl)O1 HR101243 [0,1,0,0,0,0|2,0,1]=4 250 B8R1.1 O=C1NCC(CCl)O1 HR105324 [0,1,0,0,0,0|2,0,1]=4 251 B8R1.1 O=C1OCC(CO)O1 HR107356 [0,1,0,0,0,0|2,0,1]=4 252 B8R1.1 O=CC1=CC(Br)=CN1 HR148549 [0,1,0,0,0,0|2,0,1]=4 253 B8R1.1 O=CC1=CC(Br)=CO1 HR121241 [0,1,0,0,0,0|2,0,1]=4 254 B8R1.1 O=CC1=CC(Br)=CS1 HR127267 [0,1,0,0,0,0|2,0,1]=4 255 B8R1.1 O=CC1=CC(Br)=NO1 HR147340 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.1 O=CC1=CNC(Br)=C1 HR104370 [0,1,0,0,0,0|2,0,1]=4 257 B8R1.1 O=CC1=CSC(Br)=C1 HR153364 [0,1,0,0,0,0|2,0,1]=4 258 B8R1.1 O=CC1=CSC(Cl)=C1 HR110246 [0,1,0,0,0,0|2,0,1]=4 259 B8R1.1 OCC1=CC(Br)=CS1 HR142417 [0,1,0,0,0,0|2,0,1]=4 260 B8R1.1 OCC1=CC(Br)=NO1 HR119733 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.1 OCC1=CSC(Br)=C1 HR153404 [0,1,0,0,0,0|2,0,1]=4 262 B8R1.1 OCC1=CSC(Cl)=C1 HR109922 [0,1,0,0,0,0|2,0,1]=4 263 B8R1.18 C=C1CC(=O)OC1=O HR123885 [0,1,0,0,0,0|2,0,1]=4 264 B8R1.18 CC1=C(Br)OC(Br)=C1 HR117895 [0,1,0,0,0,0|2,0,1]=4 265 B8R1.18 CC1=C(Br)SC(Br)=C1 HR31807 [0,1,0,0,0,0|2,0,1]=4 266 B8R1.18 CC1=C(C)OC(=O)O1 HR138965 [0,1,0,0,0,0|2,0,1]=4 267 B8R1.18 CC1=C(Cl)SC(Br)=C1 HR32390 [0,1,0,0,0,0|2,0,1]=4 268 B8R1.18 CC1=C(Cl)SC(Cl)=C1 HR126319 [0,1,0,0,0,0|2,0,1]=4 269 B8R1.18 CC1=C(I)SC(I)=C1 HR118806 [0,1,0,0,0,0|2,0,1]=4 270 B8R1.18 CC1=CC(=O)C(C)O1 HR125615 [0,1,0,0,0,0|1,0,0]=2 271 B8R1.18 CC1=CC(=O)N(C)N1 HR138216 [0,1,0,0,0,0|2,0,0]=3 272 B8R1.18 CC1=CC(=O)OC1=O HR122406 [0,1,0,0,0,0|1,0,1]=3 273 B8R1.18 CC1=CC(=O)OC1O HR135109 [0,1,0,0,0,0|1,0,0]=2 274 B8R1.18 CC1=CC(Br)=NN1C HR108743 [0,1,0,0,0,0|3,0,0]=4 275 B8R1.18 CC1=CC(C)=C(C)S1 HR106599 [0,1,0,0,0,0|2,0,1]=4 276 B8R1.18 CC1=CC(C)=NN1C HR125395 [0,1,0,0,0,0|3,0,0]=4 277 B8R1.18 CC1=CC(N)=NN1C HR101522 [0,1,0,0,0,0|3,0,0]=4 278 B8R1.18 CC1=CC(S)=C(C)O1 HR123446 [0,1,0,0,0,0|1,1,1]=4 279 B8R1.18 CC1=NN(C)C(Cl)=C1 HR135519 [0,1,0,0,0,0|3,0,0]=4 280 B8R1.18 CC1=NN(C)C(N)=C1 HR118884 [0,1,0,0,0,0|3,0,0]=4 281 B8R1.18 CC1=NN(C)C(O)=C1 HR147140 [0,1,0,0,0,0|2,0,1]=4 282 B8R1.18 CC1CC(=O)N(C)C1 HR102594 [0,1,0,0,0,0|1,0,2]=4 283 B8R1.18 CC1NC(=O)OC1=O HR100336 [0,1,0,0,0,0|3,0,0]=4 284 B8R1.18 CN1CC(=O)N=C1N HR123939 [0,1,0,0,0,0|3,0,0]=4 285 B8R1.18 Cn1sc(Cl)cc1=O HR123569 [0,1,0,0,0,0|3,0,0]=4 286 B8R1.18 NC1CC(=O)OC1=O HR110338 [0,1,0,0,0,0|2,0,0]=3 287 B8R1.18 NN1CC(=O)NC1=O AZXF00313 [0,1,0,0,0,0|3,0,0]=4 288 B8R1.18 NN1CC(=O)NC1=O HR130772 [0,1,0,0,0,0|3,0,0]=4 289 B8R1.50 CC1=C(C)C(=O)N=N1 HR105352 [0,1,0,0,0,0|2,0,0]=3 290 B8R1.50 CC1=C(C)C(N)=NO1 SPXF01310 [0,1,0,0,0,0|3,0,0]=4 291 B8R1.50 CC1=C(O)C(=O)CC1 HR129501 [0,1,0,0,0,0|0,0,0]=1 292 B8R1.50 CC1=C(O)C(=O)CO1 HR125202 [0,1,0,0,0,0|1,0,0]=2 293 B8R1.50 CC1=CSC(Br)=C1Br HR110879 [0,1,0,0,0,0|2,0,1]=4 294 B8R1.50 CC1=NNC(C)=C1Br HR132489 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.50 CC1=NNC(C)=C1I HR133031 [0,1,0,0,0,0|3,0,0]=4 296 B8R1.50 CC1=NOC(C)=C1Br HR112510 [0,1,0,0,0,0|3,0,0]=4 297 B8R1.50 CC1=NOC(C)=C1I HR124830 [0,1,0,0,0,0|3,0,0]=4 298 B8R1.50 CC1=NOC(C)=C1N HR132271 [0,1,0,0,0,0|3,0,0]=4 299 B8R1.50 CC1=NOC(N)=C1C HR140051 [0,1,0,0,0,0|3,0,0]=4 300 B8R1.50 CC1=NOC(N)=C1Cl HR117963 [0,1,0,0,0,0|3,0,0]=4 301 B8R1.50 CC1C(=O)CCC1=O HR137820 [0,1,0,0,0,0|1,0,1]=3 302 B8R1.50 CC1CCC(=O)C1=O HR129446 [0,1,0,0,0,0|0,0,1]=2 303 B8R1.50 CC1CCC(=O)N1C HR142184 [0,1,0,0,0,0|1,0,1]=3 304 B8R1.50 CN1C(=O)CCC1=O HR140375 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.50 CN1CCN(C)C1=O HR7604 [0,1,0,0,0,0|3,0,0]=4 306 B8R1.50 O=C1CCC(=O)N1Br HR126470 [0,1,0,0,0,0|2,0,0]=3 307 B8R1.50 O=C1CCC(=O)N1Cl HR131518 [0,1,0,0,0,0|2,0,0]=3 308 B8R1.50 O=C1CCC(=O)N1I HR12908 [0,1,0,0,0,0|2,0,0]=3 309 B8R1.50 O=C1CCC(=O)N1O HR135012 [0,1,0,0,0,0|2,0,0]=3 310 B8R1.50 O=C1SSC(Cl)=C1Cl HR136082 [0,1,0,0,0,0|3,0,0]=4 311 B8R1.51 CC1(C)CCC(=O)N1 HR104854 [0,1,0,0,0,0|1,0,1]=3 312 B8R1.51 CC1(C)CNC(=O)C1 HR121474 [0,1,0,0,0,0|1,0,2]=4 313 B8R1.51 CC1(C)CNC(=O)N1 HR33167 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.1 C=COC(=O)CC HR145643 [0,0,1,0,0,0|1,0,1]=3 315 B6R0.1 CC#CC(=O)OC HR141249 [0,0,1,0,0,0|1,0,2]=4 316 B6R0.1 CCC(=O)CC#N HR104780 [0,0,1,0,0,0|1,0,2]=4 317 B6R0.1 CCC(=O)CSC HR123442 [0,0,1,0,0,0|1,0,1]=3 318 B6R0.1 CCCC(=O)SC HR136352 [0,0,1,0,0,0|1,0,2]=4 319 B6R0.1 CCOC(=O)CBr AMJB00601 [0,0,1,0,0,0|2,0,1]=4 320 B6R0.1 CCOC(=O)CCl HR147617 [0,0,1,0,0,0|2,0,1]=4 321 B6R0.1 CCOC(=O)CN HR134743 [0,0,1,0,0,0|2,0,1]=4 322 B6R0.1 CCOC(=O)CO HR127384 [0,0,1,0,0,0|2,0,1]=4 323 B6R0.1 CCOC(=O)CS HR136673 [0,0,1,0,0,0|2,0,1]=4 324 B6R0.1 CCOC(=O)OC HR138173 [0,0,1,0,0,0|2,0,1]=4 325 B6R0.1 CCSC(=O)CC HR138214 [0,0,1,0,0,0|1,0,1]=3 326 B6R0.1 CNCC(=O)OC HR130436 [0,0,1,0,0,0|2,0,1]=4 327 B6R0.1 COC(=O)\C=C\N HR109927 [0,0,1,0,0,0|2,0,0]=3 328 B6R0.1 COCC(=O)OC HR147666 [0,0,1,0,0,0|2,0,1]=4 329 B6R0.1 CSC(C)CC=O HR133413 [0,0,1,0,0,0|1,0,2]=4 330 B6R0.1 C\C=C\C(=O)CC HR108073 [0,0,1,0,0,0|0,0,0]=1 331 B6R0.2 CC(=O)CC(=O)[O-] HR126081 [0,0,1,0,0,0|2,0,1]=4 332 B6R0.2 CC(=O)CC(C)=O AVJB01201 [0,0,1,0,0,0|1,0,1]=3 333 B6R0.2 CC(=O)CC(C)=O CUSA07105 [0,0,1,0,0,0|1,0,1]=3 334 B6R0.2 CC(=O)CC(C)=O HR108604 [0,0,1,0,0,0|1,0,1]=3 335 B6R0.2 CC(=O)CC(N)=O HR125580 [0,0,1,0,0,0|2,0,1]=4 336 B6R0.2 CC(=O)NC(=N)N HR3986 [0,0,1,0,0,0|3,0,0]=4 337 B6R0.2 CC(=O)NC(C)C ABSA04901 [0,0,1,0,0,0|1,0,1]=3 338 B6R0.2 CC(=O)OC(C)=O NASA01407 [0,0,1,0,0,0|2,0,0]=3 339 B6R0.2 CC(=O)OC(C)Br HR115050 [0,0,1,0,0,0|2,0,1]=4 340 B6R0.2 CC(=O)\C=C(/C)N HR105871 [0,0,1,0,0,0|1,0,0]=2 341 B6R0.2 CC(=O)\C=C(\C)[O-] HR100501 [0,0,1,0,0,0|1,0,0]=2 342 B6R0.2 CC(=O)\C=C(\C)[O-] HR107173 [0,0,1,0,0,0|1,0,0]=2 343 B6R0.2 CC(=O)\C=C(\C)[O-] HR113781 [0,0,1,0,0,0|1,0,0]=2 344 B6R0.2 CC(=O)\C=C(\C)[O-] HR117143 [0,0,1,0,0,0|1,0,0]=2 345 B6R0.2 CC(C)=CC(=O)Cl HR129281 [0,0,1,0,0,0|1,0,0]=2 346 B6R0.2 CC(C)=CC(=O)O HR21295 [0,0,1,0,0,0|1,0,0]=2 347 B6R0.2 CC(C)CC(=O)O HR123359 [0,0,1,0,0,0|1,0,2]=4 348 B6R0.2 CC(C)CC(N)=O HR109732 [0,0,1,0,0,0|1,0,2]=4 349 B6R0.2 CN(C)CC(=O)O HR127289 [0,0,1,0,0,0|2,0,1]=4 350 B6R0.2 CN(C)CC(=O)[O-] HR134057 [0,0,1,0,0,0|2,0,1]=4 351 B6R0.2 C[S+](C)CC(=O)[O-] HR107996 [0,0,1,0,0,0|2,0,1]=4 352 B6R0.4 C#CCCC(=O)O HR101408 [0,0,1,0,0,0|1,0,2]=4 353 B6R0.4 C=C(C)CNCC HR128262 [0,0,1,0,0,0|2,0,1]=4 354 B6R0.4 C=CCCC(=O)Cl HR106043 [0,0,1,0,0,0|1,0,1]=3 355 B6R0.4 C=CCCC(=O)O HR128583 [0,0,1,0,0,0|1,0,1]=3 356 B6R0.4 C=CCOC(C)=S HR100810 [0,0,1,0,0,0|3,0,0]=4 357 B6R0.4 CC(=O)CCCBr HR147487 [0,0,1,0,0,0|1,0,2]=4 358 B6R0.4 CC(=O)CCCCl HR100024 [0,0,1,0,0,0|1,0,2]=4 359 B6R0.4 CC(=O)CCCO HR136959 [0,0,1,0,0,0|1,0,2]=4 360 B6R0.4 CC(C)=NNC=O HR117540 [0,0,1,0,0,0|2,0,1]=4 361 B6R0.4 CC(C)CCC=O HR118427 [0,0,1,0,0,0|0,0,2]=3 362 B6R0.4 CCCCC(=O)Cl HR147689 [0,0,1,0,0,0|1,0,1]=3 363 B6R0.4 CCCCC(=O)[O-] HR143929 [0,0,1,0,0,0|1,0,1]=3 364 B6R0.4 CCCCC(N)=O HR110039 [0,0,1,0,0,0|1,0,1]=3 365 B6R0.4 CCCC[Sn](=O)O HR135371 [0,0,1,0,0,0|2,0,1]=4 366 B6R0.4 CCCSC(C)=O HR137881 [0,0,1,0,0,0|1,0,2]=4 367 B6R0.4 CCNCC(=O)O HR105131 [0,0,1,0,0,0|2,0,1]=4 368 B6R0.4 CCOCC(=O)O HR123178 [0,0,1,0,0,0|2,0,1]=4 369 B6R0.4 CNCCC(=O)O HR100194 [0,0,1,0,0,0|2,0,0]=3 370 B6R0.4 CSCCC(C)=O HR133952 [0,0,1,0,0,0|1,0,1]=3 371 B6R0.4 N#CCCC(=O)O HR103469 [0,0,1,0,0,0|2,0,1]=4 372 B6R0.4 NCCCC(=O)O HR130958 [0,0,1,0,0,0|2,0,1]=4 373 B6R0.4 O=C(Cl)CCCBr HR102428 [0,0,1,0,0,0|2,0,1]=4 374 B6R0.4 O=C(Cl)CCCCl HR129406 [0,0,1,0,0,0|2,0,1]=4 375 B6R0.4 O=C(O)CCCBr HR131673 [0,0,1,0,0,0|2,0,1]=4 376 B6R0.4 O=C(O)CCCCl HR120152 [0,0,1,0,0,0|2,0,1]=4 377 B6R0.4 O=CCCC(=O)O HR134907 [0,0,1,0,0,0|2,0,0]=3 378 B6R0.4 O=CCC[N+](=O)[O-] HR114611 [0,0,1,0,0,0|3,0,0]=4 379 B6R1.5 CC1CC(=O)C1 HR121137 [0,0,0,0,1,0|0,0,2]=3 380 B6R1.5 NC1CC(=O)C1 HR145979 [0,0,0,0,1,0|1,0,2]=4 381 B6R1.5 O=C1CC(Br)C1 HR120509 [0,0,0,0,1,0|1,0,2]=4 382 B6R1.5 O=C1CC(O)C1 HR119245 [0,0,0,0,1,0|1,0,2]=4 383 B8R1.3 C=C1CCN(C)CC1 HR107962 [0,0,0,0,0,1|2,0,1]=4 384 B8R1.3 CC1=CC=C(Br)C=C1 HR21011 [0,0,0,0,0,1|1,0,2]=4 385 B8R1.3 CC1=CC=C(Br)N=N1 HR148281 [0,0,0,0,0,1|3,0,0]=4 386 B8R1.3 CC1=CC=C(C)N=N1 HR112680 [0,0,0,0,0,1|3,0,0]=4 387 B8R1.3 CC1=CC=C(Cl)N=N1 HR137497 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.3 CC1=CC=C(I)C=C1 HR131008 [0,0,0,0,0,1|1,0,2]=4 389 B8R1.3 CC1=CC=C(N)C=C1 HR147703 [0,0,0,0,0,1|1,0,2]=4 390 B8R1.3 CC1=CC=C(N)C=N1 HR131136 [0,0,0,0,0,1|1,0,2]=4 391 B8R1.3 CC1=CC=C(N)N=N1 HR103580 [0,0,0,0,0,1|3,0,0]=4 392 B8R1.3 CC1=CC=C(O)C=N1 HR123018 [0,0,0,0,0,1|0,0,3]=4 393 B8R1.3 CC1=CCC(=O)CC1 HR105835 [0,0,0,0,0,1|0,0,0]=1 394 B8R1.3 CC1=CN=C(Br)C=C1 HR1185 [0,0,0,0,0,1|1,0,2]=4 395 B8R1.3 CC1=CN=C(Br)C=N1 HR114177 [0,0,0,0,0,1|2,0,1]=4 396 B8R1.3 CC1=CN=C(Br)N=C1 HR33492 [0,0,0,0,0,1|2,0,1]=4 397 B8R1.3 CC1=CN=C(C)C=N1 HR133127 [0,0,0,0,0,1|2,0,1]=4 398 B8R1.3 CC1=CN=C(Cl)C=C1 HR1193 [0,0,0,0,0,1|1,0,2]=4 399 B8R1.3 CC1=CN=C(Cl)C=N1 HR147274 [0,0,0,0,0,1|2,0,1]=4 400 B8R1.3 CC1=CN=C(Cl)N=C1 HR33491 [0,0,0,0,0,1|2,0,1]=4 401 B8R1.3 CC1=CN=C(F)C=C1 HR136733 [0,0,0,0,0,1|1,0,2]=4 402 B8R1.3 CC1=CN=C(I)N=C1 HR34068 [0,0,0,0,0,1|2,0,1]=4 403 B8R1.3 CC1=CN=C(N)C=C1 ABXF00101 [0,0,0,0,0,1|1,0,2]=4 404 B8R1.3 CC1=CN=C(N)C=N1 HR104011 [0,0,0,0,0,1|2,0,1]=4 405 B8R1.3 CC1=CN=C(N)N=C1 HR111581 [0,0,0,0,0,1|2,0,1]=4 406 B8R1.3 CC1=CN=C(O)C=C1 HR127832 [0,0,0,0,0,1|0,0,3]=4 407 B8R1.3 CC1=CN=C(O)C=C1 HR14321 [0,0,0,0,0,1|0,0,3]=4 408 B8R1.3 CC1=CN=C(O)C=N1 HR147862 [0,0,0,0,0,1|1,0,2]=4 409 B8R1.3 CC1=NC=C(Br)C=C1 HR4058 [0,0,0,0,0,1|1,0,2]=4 410 B8R1.3 CC1=NC=C(Br)C=N1 HR30429 [0,0,0,0,0,1|2,0,1]=4 411 B8R1.3 CC1=NC=C(Cl)C=C1 HR120085 [0,0,0,0,0,1|1,0,2]=4 412 B8R1.3 CC1=NC=C(Cl)C=N1 HR147489 [0,0,0,0,0,1|2,0,1]=4 413 B8R1.3 CC1=NC=C(F)C=C1 HR129366 [0,0,0,0,0,1|1,0,2]=4 414 B8R1.3 CC1=NC=C(I)C=C1 HR6698 [0,0,0,0,0,1|1,0,2]=4 415 B8R1.3 CC1=NC=C(N)C=N1 HR130339 [0,0,0,0,0,1|2,0,1]=4 416 B8R1.3 CC1=NC=C(O)C=N1 HR110662 [0,0,0,0,0,1|1,0,2]=4 417 B8R1.3 CC1=NNC(=O)C=C1 HR125138 [0,0,0,0,0,1|2,0,0]=3 418 B8R1.3 CC1=NNC(=O)CC1 HR117768 [0,0,0,0,0,1|1,0,0]=2 419 B8R1.3 CC1=NNC(=S)C=C1 HR113051 [0,0,0,0,0,1|2,1,0]=4 420 B8R1.3 CC1CCC(=O)CC1 HR123899 [0,0,0,0,0,1|0,0,2]=3 421 B8R1.3 CC1CNC(=O)CO1 HR148882 [0,0,0,0,0,1|1,0,2]=4 422 B8R1.3 CN1CCC(=O)CC1 HR128468 [0,0,0,0,0,1|1,0,1]=3 423 B8R1.3 Cc1ccc(O)cc1 HR128349 [0,0,0,0,0,1|0,0,3]=4 424 B8R1.3 Cc1ccc([SiH3])cc1 HR143570 [0,0,0,0,0,1|1,0,2]=4 425 B8R1.3 NC1CCC(=O)CC1 HR108450 [0,0,0,0,0,1|1,0,2]=4 426 B8R1.3 NC1CCC(=O)NC1 HR114241 [0,0,0,0,0,1|1,0,2]=4 427 B8R1.3 O=C1C=CC(=O)C=C1 HR129503 [0,0,0,0,0,1|1,0,2]=4 428 B8R1.3 O=C1C=CC(=O)C=C1 HR14592 [0,0,0,0,0,1|1,0,2]=4 429 B8R1.3 O=C1C=NC(Br)=CN1 HR30621 [0,0,0,0,0,1|2,0,1]=4 430 B8R1.3 O=C1C=NC(Cl)=CN1 HR30622 [0,0,0,0,0,1|2,0,1]=4 431 B8R1.3 O=C1CCC(=O)CC1 HR123033 [0,0,0,0,0,1|1,0,1]=3 432 B8R1.3 O=C1CCC(=O)NC1 HR110594 [0,0,0,0,0,1|1,0,1]=3 433 B8R1.3 O=C1CCC(O)CC1 HR132671 [0,0,0,0,0,1|1,0,2]=4 434 B8R1.3 O=C1CCC(O)CN1 HR104378 [0,0,0,0,0,1|1,0,2]=4 435 B8R1.3 O=C1CNC(=O)CN1 HR134014 [0,0,0,0,0,1|2,0,1]=4 436 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,0,0,0,0,1|0,0,0]=1 437 B8R1.4 CC1=CC(=O)NN=C1 HR11016 [0,0,0,0,0,1|1,0,1]=3 438 B8R1.4 CC1=CC(Br)=CC=C1 HR147078 [0,0,0,0,0,1|1,0,2]=4 439 B8R1.4 CC1=CC(Br)=NC=C1 HR1184 [0,0,0,0,0,1|1,0,2]=4 440 B8R1.4 CC1=CC(Br)=NC=N1 HR148333 [0,0,0,0,0,1|2,0,1]=4 441 B8R1.4 CC1=CC(C)=NC=N1 HR132989 [0,0,0,0,0,1|2,0,1]=4 442 B8R1.4 CC1=CC(Cl)=NC=C1 HR1192 [0,0,0,0,0,1|1,0,2]=4 443 B8R1.4 CC1=CC(Cl)=NC=N1 HR13240 [0,0,0,0,0,1|2,0,1]=4 444 B8R1.4 CC1=CC(F)=NC=C1 HR1203 [0,0,0,0,0,1|1,0,2]=4 445 B8R1.4 CC1=CC(I)=NC=C1 HR110692 [0,0,0,0,0,1|1,0,2]=4 446 B8R1.4 CC1=CC(N)=NC=C1 HR146783 [0,0,0,0,0,1|1,0,2]=4 447 B8R1.4 CC1=CC(N)=NC=N1 HR102836 [0,0,0,0,0,1|2,0,1]=4 448 B8R1.4 CC1=CC(O)=CC=C1 IDSA06810 [0,0,0,0,0,1|0,0,3]=4 449 B8R1.4 CC1=CC(O)=NC=C1 HR127276 [0,0,0,0,0,1|0,0,3]=4 450 B8R1.4 CC1=CC(O)=NC=N1 HR105356 [0,0,0,0,0,1|1,0,2]=4 451 B8R1.4 CC1=CC(O)=NC=N1 HR116470 [0,0,0,0,0,1|1,0,2]=4 452 B8R1.4 CC1=CC=CC(F)=C1 HR147075 [0,0,0,0,0,1|1,0,2]=4 453 B8R1.4 CC1=CC=CC(I)=C1 HR130747 [0,0,0,0,0,1|1,0,2]=4 454 B8R1.4 CC1=CN=CC(=O)N1 HR110908 [0,0,0,0,0,1|1,0,2]=4 455 B8R1.4 CC1=CN=CC(Br)=C1 HR4036 [0,0,0,0,0,1|1,0,2]=4 456 B8R1.4 CC1=CN=CC(Cl)=C1 HR109685 [0,0,0,0,0,1|1,0,2]=4 457 B8R1.4 CC1=CN=CC(F)=C1 HR137759 [0,0,0,0,0,1|1,0,2]=4 458 B8R1.4 CC1=CN=CC(N)=C1 HR122715 [0,0,0,0,0,1|1,0,2]=4 459 B8R1.4 CC1=CN=CC(O)=C1 HR107413 [0,0,0,0,0,1|0,0,3]=4 460 B8R1.4 CC1=CN=NC(Cl)=C1 HR106299 [0,0,0,0,0,1|2,0,1]=4 461 B8R1.4 CC1=NC=CC(Br)=C1 HR4035 [0,0,0,0,0,1|1,0,2]=4 462 B8R1.4 CC1=NC=CC(Cl)=C1 HR138568 [0,0,0,0,0,1|1,0,2]=4 463 B8R1.4 CC1=NC=CC(F)=C1 HR112228 [0,0,0,0,0,1|1,0,2]=4 464 B8R1.4 CC1=NC=CC(I)=C1 HR120740 [0,0,0,0,0,1|1,0,2]=4 465 B8R1.4 CC1=NC=CC(N)=C1 HR123486 [0,0,0,0,0,1|1,0,2]=4 466 B8R1.4 CC1=NC=CC(O)=C1 HR136769 [0,0,0,0,0,1|0,0,3]=4 467 B8R1.4 CC1CC(=O)CCN1 HR120677 [0,0,0,0,0,1|0,0,2]=3 468 B8R1.4 CC1CC(=O)CCN1 HR140081 [0,0,0,0,0,1|0,0,2]=3 469 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,0,0,0,0,1|0,0,2]=3 470 B8R1.4 CN1CCC=C(Br)C1 HR149222 [0,0,0,0,0,1|2,0,1]=4 471 B8R1.4 CN1CCCC(=O)C1 HR120165 [0,0,0,0,0,1|1,0,1]=3 472 B8R1.4 CN1CCNC(=O)C1 HR119613 [0,0,0,0,0,1|1,0,1]=3 473 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,0,0,0,0,1|1,0,0]=2 474 B8R1.4 NC1CCNC(=O)C1 HR107374 [0,0,0,0,0,1|1,0,2]=4 475 B8R1.4 NC1CCNC(=O)C1 HR113606 [0,0,0,0,0,1|1,0,2]=4 476 B8R1.4 O=C1C=C(Cl)C=NN1 HR113302 [0,0,0,0,0,1|2,0,1]=4 477 B8R1.4 O=C1C=C(Cl)NC=N1 HR123013 [0,0,0,0,0,1|2,0,1]=4 478 B8R1.4 O=C1C=C(F)C=CN1 HR116146 [0,0,0,0,0,1|1,0,2]=4 479 B8R1.4 O=C1C=C(F)NC=N1 HR113935 [0,0,0,0,0,1|2,0,1]=4 480 B8R1.4 O=C1C=C(I)C=NN1 HR121165 [0,0,0,0,0,1|2,0,1]=4 481 B8R1.4 O=C1C=C(S)N=CN1 HR113633 [0,0,0,0,0,1|2,0,1]=4 482 B8R1.4 O=C1C=CNC(F)=C1 HR118051 [0,0,0,0,0,1|1,0,2]=4 483 B8R1.4 O=C1CC(O)CCN1 HR110819 [0,0,0,0,0,1|1,0,2]=4 484 B8R1.4 O=C1CCCC(=O)C1 HR129932 [0,0,0,0,0,1|1,0,1]=3 485 B8R1.4 O=C1CCCC(=O)N1 HR139848 [0,0,0,0,0,1|2,0,0]=3 486 B8R1.4 O=C1CCCC(=O)O1 ZOCQ02609 [0,0,0,0,0,1|2,0,0]=3 487 B8R1.4 O=C1CCNC(=O)C1 HR127778 [0,0,0,0,0,1|1,0,1]=3 488 B8R1.4 O=C1CCNC(=O)N1 HR117246 [0,0,0,0,0,1|2,0,0]=3 489 B8R1.4 O=C1CNCC(=O)N1 HR106334 [0,0,0,0,0,1|2,0,0]=3 490 B8R1.4 O=C1COCC(=O)C1 HR103955 [0,0,0,0,0,1|1,0,1]=3 491 B8R1.4 O=C1COCC(=O)O1 HR104159 [0,0,0,0,0,1|2,0,0]=3 492 B8R1.4 O=C1CSCC(=O)O1 HR100358 [0,0,0,0,0,1|2,0,0]=3 493 B5R0.1 C=C(C)CCO HR139358 [1,0,1,0,0,0|0,0,1]=3 494 B5R0.1 C=C(C)C[Mg]Cl HR118348 [1,0,1,0,0,0|2,0,0]=4 495 B5R0.1 C=C(C)OCC HR135003 [1,0,1,0,0,0|1,0,1]=4 496 B5R0.1 C=C(C)\C=C\[AlH3] HR142674 [1,0,1,0,0,0|1,0,1]=4 497 B5R0.1 C=CCC(=O)O HR124911 [1,0,1,0,0,0|1,0,1]=4 498 B5R0.1 C=CNC(C)=O HR112565 [1,0,1,0,0,0|1,0,1]=4 499 B5R0.1 CC(=O)CCCl HR106274 [1,0,1,0,0,0|1,0,1]=4 500 B5R0.1 CC(=O)CCO HR131203 [1,0,1,0,0,0|1,0,1]=4 501 B5R0.1 CC(=O)OC=O HR100841 [1,0,1,0,0,0|2,0,0]=4 502 B5R0.1 CC(=O)\C=N\O HR126710 [1,0,1,0,0,0|2,0,0]=4 503 B5R0.1 CC(C)=CC=O HR138342 [1,0,1,0,0,0|0,0,0]=2 504 B5R0.1 CC(C)=CCBr HR133883 [1,0,1,0,0,0|1,0,1]=4 505 B5R0.1 CC(C)=CCCl HR127820 [1,0,1,0,0,0|1,0,1]=4 506 B5R0.1 CC(C)=CCN HR114772 [1,0,1,0,0,0|1,0,1]=4 507 B5R0.1 CC(C)=CCO HR138609 [1,0,1,0,0,0|0,0,2]=4 508 B5R0.1 CC(C)=CCS HR143870 [1,0,1,0,0,0|0,1,1]=4 509 B5R0.1 CC(C)=C[Mg]Br HR109568 [1,0,1,0,0,0|2,0,0]=4 510 B5R0.1 CC(C)=C[SiH2]Cl HR107199 [1,0,1,0,0,0|1,1,0]=4 511 B5R0.1 CCCC(=N)N HR126811 [1,0,1,0,0,0|2,0,0]=4 512 B5R0.1 CCCC(=O)Cl HR147587 [1,0,1,0,0,0|1,0,0]=3 513 B5R0.1 CCCC(=O)[O-] HR129884 [1,0,1,0,0,0|1,0,0]=3 514 B5R0.1 CCCC(=O)[O-] HR137474 [1,0,1,0,0,0|1,0,0]=3 515 B5R0.1 CCCC(N)=O HR137715 [1,0,1,0,0,0|1,0,0]=3 516 B5R0.1 CCNC(C)=O HR100775 [1,0,1,0,0,0|1,0,1]=4 517 B5R0.1 CCNC(N)=O HR126748 [1,0,1,0,0,0|2,0,0]=4 518 B5R0.1 CCOC(=O)Cl IVSA07702 [1,0,1,0,0,0|2,0,0]=4 519 B5R0.1 CCOC(N)=O HR123919 [1,0,1,0,0,0|2,0,0]=4 520 B5R0.1 CCSC(C)=O HR138399 [1,0,1,0,0,0|1,0,1]=4 521 B5R0.1 CNCC(=O)O HR132326 [1,0,1,0,0,0|2,0,0]=4 522 B5R0.1 CNCC(=O)[O-] HR133335 [1,0,1,0,0,0|2,0,0]=4 523 B5R0.1 COCC(=O)Cl HR138385 [1,0,1,0,0,0|2,0,0]=4 524 B5R0.1 COCC(=O)O HR137614 [1,0,1,0,0,0|2,0,0]=4 525 B5R0.1 COCC(C)=O HR124731 [1,0,1,0,0,0|1,0,1]=4 526 B5R0.1 CSCC(C)=O HR104929 [1,0,1,0,0,0|1,0,1]=4 527 B5R0.1 CSCC(N)=O HR105921 [1,0,1,0,0,0|2,0,0]=4 528 B5R0.1 C\C=C\C(=O)Cl HR100850 [1,0,1,0,0,0|1,0,0]=3 529 B5R0.1 C\C=C\C(=O)Cl HR133043 [1,0,1,0,0,0|1,0,0]=3 530 B5R0.1 NC(=O)CCO HR101159 [1,0,1,0,0,0|2,0,0]=4 531 B5R0.1 NCCC(=O)O HR120135 [1,0,1,0,0,0|2,0,0]=4 532 B5R0.1 NCCC(=O)O HR136538 [1,0,1,0,0,0|2,0,0]=4 533 B5R0.1 NCCC(N)=O HR123050 [1,0,1,0,0,0|2,0,0]=4 534 B5R0.1 O=C(Cl)CCBr HR132550 [1,0,1,0,0,0|2,0,0]=4 535 B5R0.1 O=C(Cl)CCCl HR125686 [1,0,1,0,0,0|2,0,0]=4 536 B5R0.1 O=C(O)CCBr HR146768 [1,0,1,0,0,0|2,0,0]=4 537 B5R0.1 O=C(O)CCI HR118002 [1,0,1,0,0,0|2,0,0]=4 538 B5R0.1 O=C(O)CCO HR12598 [1,0,1,0,0,0|2,0,0]=4 539 B5R0.1 O=C(O)CCS BACQ02107 [1,0,1,0,0,0|2,0,0]=4 540 B5R0.1 O=C(O)\C=C\I HR145754 [1,0,1,0,0,0|2,0,0]=4 541 B5R0.2 C=CCCC=C HR145060 [1,0,1,0,0,0|0,0,1]=3 542 B5R0.2 C=CCCCBr HR138516 [1,0,1,0,0,0|1,0,1]=4 543 B5R0.2 C=CCCCN HR114551 [1,0,1,0,0,0|1,0,1]=4 544 B5R0.2 C=CCCCO HR127694 [1,0,1,0,0,0|0,0,2]=4 545 B5R0.2 C=CCC[Mg]Br HR117163 [1,0,1,0,0,0|2,0,0]=4 546 B5R0.2 C=CCSSC HR124486 [1,0,1,0,0,0|2,0,0]=4 547 B5R0.2 C=COCCC HR122922 [1,0,1,0,0,0|1,0,1]=4 548 B5R0.2 CCO\C=C\Br ATXF02514 [1,0,1,0,0,0|2,0,0]=4 549 B5R0.2 CC\C=C\C=O HR111713 [1,0,1,0,0,0|0,0,0]=2 550 B5R0.2 CC\C=C\C=O HR139459 [1,0,1,0,0,0|0,0,0]=2 551 B5R0.2 CC\C=C\CBr HR102032 [1,0,1,0,0,0|1,0,1]=4 552 B5R0.2 C\C=C\CCC HR121014 [1,0,1,0,0,0|0,0,1]=3 553 B5R0.2 C\C=C\OCC HR128979 [1,0,1,0,0,0|1,0,0]=3 554 B5R0.2 N#CCCC=O HR111731 [1,0,1,0,0,0|1,0,1]=4 555 B5R0.2 O=CCCC=O HR100601 [1,0,1,0,0,0|1,0,0]=3 556 B5R0.3 C=C(C=O)CC HR137788 [1,0,1,0,0,0|0,0,1]=3 557 B5R0.3 C=CC(=O)CBr HR146340 [1,0,1,0,0,0|1,0,0]=3 558 B5R0.3 C=CC(=O)CBr HR146362 [1,0,1,0,0,0|1,0,0]=3 559 B5R0.3 C=CC(=O)OC LECQ00902 [1,0,1,0,0,0|1,0,0]=3 560 B5R0.3 C=CC(O)CC HR132478 [1,0,1,0,0,0|0,0,2]=4 561 B5R0.3 CCC(=O)CBr HR101618 [1,0,1,0,0,0|1,0,1]=4 562 B5R0.3 CCC(=O)NC HR138361 [1,0,1,0,0,0|1,0,0]=3 563 B5R0.3 CCC(=S)OC HR134757 [1,0,1,0,0,0|1,1,0]=4 564 B5R0.3 CCC(C)C=O HR108130 [1,0,1,0,0,0|0,0,1]=3 565 B5R0.3 CCS(=O)CC HR101279 [1,0,1,0,0,0|1,0,1]=4 566 B5R0.3 CNC(=O)CBr HR108109 [1,0,1,0,0,0|2,0,0]=4 567 B5R0.3 CNC(=O)NC HR124408 [1,0,1,0,0,0|2,0,0]=4 568 B5R0.3 COC(=O)C=O HR131069 [1,0,1,0,0,0|2,0,0]=4 569 B5R0.3 COC(=O)CBr HR147010 [1,0,1,0,0,0|2,0,0]=4 570 B5R0.3 COC(=O)CCl HR147665 [1,0,1,0,0,0|2,0,0]=4 571 B5R0.3 COC(=O)CF HR147087 [1,0,1,0,0,0|2,0,0]=4 572 B5R0.3 COC(=O)CN VAJB00904 [1,0,1,0,0,0|2,0,0]=4 573 B5R0.3 COC(=O)CO HR136159 [1,0,1,0,0,0|2,0,0]=4 574 B5R0.3 COC(=O)CS HR136418 [1,0,1,0,0,0|2,0,0]=4 575 B5R0.3 C\C=C(\C)C=O HR112466 [1,0,1,0,0,0|0,0,1]=3 576 B5R0.3 C\C=C(\C)C=O HR139746 [1,0,1,0,0,0|0,0,1]=3 577 B5R1.1 C1=CCNC1 HR105680 [2,0,0,0,0,0|1,0,1]=4 578 B5R1.1 C1=CCNC1 HR134578 [2,0,0,0,0,0|1,0,1]=4 579 B5R1.1 C1=CCOC1 HR126187 [2,0,0,0,0,0|1,0,1]=4 580 B5R1.1 C1=CNC=C1 HR147707 [2,0,0,0,0,0|1,0,1]=4 581 B5R1.1 C1=CNN=C1 HR127099 [2,0,0,0,0,0|2,0,0]=4 582 B5R1.1 C1=COCC1 CEJL02606 [2,0,0,0,0,0|1,0,0]=3 583 B5R1.1 C1=CON=C1 HR8623 [2,0,0,0,0,0|2,0,0]=4 584 B5R1.1 C1=CSC=C1 HR147733 [2,0,0,0,0,0|1,0,1]=4 585 B5R1.1 C1=CSN=C1 HR114528 [2,0,0,0,0,0|2,0,0]=4 586 B5R1.1 C1=C[CH-]C=C1 HR101505 [2,0,0,0,0,0|0,0,2]=4 587 B5R1.1 C1=C[CH-]C=C1 HR138115 [2,0,0,0,0,0|0,0,2]=4 588 B5R1.1 C1=C[CH-]C=C1 HR141305 [2,0,0,0,0,0|0,0,2]=4 589 B5R1.1 C1=C[CH-]C=C1 HR144503 [2,0,0,0,0,0|0,0,2]=4 590 B7R0.2 CC(=O)NC(=O)CN HR100710 [0,1,1,0,0,0|2,0,0]=4 591 B7R0.2 CC(=O)\C=C(\C)O[Ir] HR109248 [0,1,1,0,0,0|2,0,0]=4 592 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR123460 [0,1,1,0,0,0|2,0,0]=4 593 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR126751 [0,1,1,0,0,0|2,0,0]=4 594 B7R0.2 CCC(=O)CC(C)=O HR133940 [0,1,1,0,0,0|0,0,1]=3 595 B7R0.2 CCC(C)CC(=O)O HR11273 [0,1,1,0,0,0|0,0,2]=4 596 B7R0.2 CCC(C)CC(=O)O HR135865 [0,1,1,0,0,0|0,0,2]=4 597 B7R0.2 CCC(C)NC(N)=O HR114250 [0,1,1,0,0,0|1,0,1]=4 598 B7R0.2 CCC(C)OC(=O)[O-] HR144165 [0,1,1,0,0,0|1,0,1]=4 599 B7R0.2 CNC(=O)CC(C)=O HR100837 [0,1,1,0,0,0|1,0,1]=4 600 B7R0.2 COC(=O)C=C(C)C HR125078 [0,1,1,0,0,0|1,0,0]=3 601 B7R0.2 COC(=O)CC(C)=O TECQ03701 [0,1,1,0,0,0|1,0,1]=4 602 B7R0.2 COC(=O)\C=C(/C)N HR138334 [0,1,1,0,0,0|1,0,0]=3 603 B7R0.3 CCCOC(=O)CC HR127273 [0,1,1,0,0,0|0,0,2]=4 604 B7R0.3 COC(=O)\C=C\CBr HR131230 [0,1,1,0,0,0|1,0,0]=3 605 B7R0.3 CO\C=C\C(=O)OC HR100409 [0,1,1,0,0,0|1,0,0]=3 606 B7R0.3 CO\C=C\C(=O)OC HR123737 [0,1,1,0,0,0|1,0,0]=3 607 B7R0.3 C\C=C\CC(=O)OC HR127455 [0,1,1,0,0,0|1,0,0]=3 608 B7R0.5 CCCC(=O)C(C)C HR130078 [0,1,1,0,0,0|0,0,2]=4 609 B7R0.5 CCOC(=O)C(C)Br HR123330 [0,1,1,0,0,0|1,0,1]=4 610 B7R0.5 CCOC(=O)C(C)C BEJL02302 [0,1,1,0,0,0|1,0,1]=4 611 B7R0.5 CCOC(=O)C(C)F HR137458 [0,1,1,0,0,0|1,0,1]=4 612 B7R0.5 CCOC(=O)C(C)N HR113453 [0,1,1,0,0,0|1,0,1]=4 613 B7R0.5 CCOC(=O)C(C)N HR123317 [0,1,1,0,0,0|1,0,1]=4 614 B7R0.5 CCOC(=O)C(C)N HR129365 [0,1,1,0,0,0|1,0,1]=4 615 B7R0.5 CCOC(=O)C(C)O HR100136 [0,1,1,0,0,0|1,0,1]=4 616 B7R0.5 CCOC(=O)C(C)O HR15558 [0,1,1,0,0,0|1,0,1]=4 617 B7R0.5 CCOC(=O)C(C)S HR126591 [0,1,1,0,0,0|1,0,1]=4 618 B7R0.7 C=C=CC(=O)OCC HR108306 [0,1,1,0,0,0|0,0,2]=4 619 B7R0.7 C=COC(=O)\C=C\C HR129020 [0,1,1,0,0,0|0,0,2]=4 620 B7R0.7 CC#CC(=O)OCC HR127977 [0,1,1,0,0,0|0,0,2]=4 621 B7R0.7 CCNC(=O)NCC HR128759 [0,1,1,0,0,0|1,0,1]=4 622 B7R0.7 CCOC(=O)CCBr HR132284 [0,1,1,0,0,0|1,0,1]=4 623 B7R0.7 CCOC(=O)CCCl HR147079 [0,1,1,0,0,0|1,0,1]=4 624 B7R0.7 CCOC(=O)CCI HR101944 [0,1,1,0,0,0|1,0,1]=4 625 B7R0.7 CCOC(=O)CCN HR129110 [0,1,1,0,0,0|1,0,1]=4 626 B7R0.7 CCOC(=O)CCS HR135162 [0,1,1,0,0,0|1,0,1]=4 627 B7R0.7 CCOC(=O)CNC HR138266 [0,1,1,0,0,0|1,0,1]=4 628 B7R0.7 CCOC(=O)COC HR123443 [0,1,1,0,0,0|1,0,1]=4 629 B7R0.7 CCOC(=O)\C=C\I HR11670 [0,1,1,0,0,0|1,0,0]=3 630 B7R0.10 CCC(=O)C(=O)CC HR122518 [0,1,1,0,0,0|0,0,1]=3 631 B7R0.10 COC(=O)C(=O)CBr HR122614 [0,1,1,0,0,0|2,0,0]=4 632 B7R0.10 COC(=O)C(=O)OC HR147608 [0,1,1,0,0,0|2,0,0]=4 633 B7R0.10 C\C=C(/C)C(=O)OC HR129001 [0,1,1,0,0,0|1,0,0]=3 634 B7R0.9 CC(=O)CC(C)(C)S HR124484 [0,1,1,0,0,0|0,0,2]=4 635 B7R0.9 CC(=O)N[Si](C)(C)C HR144225 [0,1,1,0,0,0|1,1,0]=4 636 B7R0.9 CC(=O)OC(C)(C)C HR147076 [0,1,1,0,0,0|1,0,1]=4 637 B7R0.9 CC(=O)O[Si](C)(C)C HR141690 [0,1,1,0,0,0|1,1,0]=4 638 B7R0.16 C=C(C)C(=O)N(C)C HR143638 [0,1,1,0,0,0|2,0,0]=4 639 B7R0.16 CC(=O)C(=O)C(C)C HR141113 [0,1,1,0,0,0|0,0,1]=3 640 B7R0.16 CC(=O)C(C)C(C)=O HR142176 [0,1,1,0,0,0|1,0,1]=4 641 B7R0.16 CC(=O)C(Cl)C(C)=O HR147348 [0,1,1,0,0,0|1,0,1]=4 642 B7R0.16 CC(C)=C(Cl)N(C)C HR104790 [0,1,1,0,0,0|2,0,0]=4 643 B7R0.16 CC(C)C(=O)C(=O)O HR136485 [0,1,1,0,0,0|1,0,1]=4 644 B7R0.16 CC(C)C(=O)C(=O)[O-] HR127707 [0,1,1,0,0,0|1,0,1]=4 645 B7R0.16 CC(C)C(=O)C(=O)[O-] HR137721 [0,1,1,0,0,0|1,0,1]=4 646 B7R0.16 CN(C)C(=O)C(=O)O HR118982 [0,1,1,0,0,0|2,0,0]=4 647 B7R0.16 CN(C)C(=O)C(N)=O HR128536 [0,1,1,0,0,0|2,0,0]=4 648 B7R0.4 C=CCCCC(=O)O HR110118 [0,1,1,0,0,0|1,0,1]=4 649 B7R0.4 C=CCNCC(=O)O HR144457 [0,1,1,0,0,0|1,0,1]=4 650 B7R0.4 C=CCNCC(=O)O HR146187 [0,1,1,0,0,0|1,0,1]=4 651 B7R0.4 CC(=O)CCCCBr HR125447 [0,1,1,0,0,0|0,0,2]=4 652 B7R0.4 CC(=O)CCCCCl HR124124 [0,1,1,0,0,0|0,0,2]=4 653 B7R0.4 CC(C)CCCC=O HR117171 [0,1,1,0,0,0|0,0,2]=4 654 B7R0.4 CCCCNC(N)=O HR125670 [0,1,1,0,0,0|1,0,1]=4 655 B7R0.4 CCCCOC(N)=O HR123655 [0,1,1,0,0,0|1,0,1]=4 656 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,1,1,0,0,0|1,0,1]=4 657 B7R0.4 NCCCCC(=O)O HR127046 [0,1,1,0,0,0|1,0,1]=4 658 B7R0.4 NCCCCC(=O)O HR139651 [0,1,1,0,0,0|1,0,1]=4 659 B7R0.4 O=C(Cl)CCCCBr HR138251 [0,1,1,0,0,0|1,0,1]=4 660 B7R0.4 O=C(Cl)CCCCCl HR135830 [0,1,1,0,0,0|1,0,1]=4 661 B7R0.4 O=C(O)CCCCBr HR127598 [0,1,1,0,0,0|1,0,1]=4 662 B7R0.4 O=C(O)CCCCCl HR127871 [0,1,1,0,0,0|1,0,1]=4 663 B7R0.6 C=C(C)COC(C)=O HR110682 [0,1,1,0,0,0|1,0,0]=3 664 B7R0.6 CC(=O)CCC(=O)O HR127576 [0,1,1,0,0,0|1,0,0]=3 665 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [0,1,1,0,0,0|1,0,0]=3 666 B7R0.6 CC(=O)CCC(C)=O HR125376 [0,1,1,0,0,0|0,0,1]=3 667 B7R0.6 CC(=O)CNC(C)=O HR146276 [0,1,1,0,0,0|1,0,1]=4 668 B7R0.6 CC(=O)COC(C)=O HR123551 [0,1,1,0,0,0|1,0,1]=4 669 B7R0.6 CC(=O)NCC(=O)O HR138579 [0,1,1,0,0,0|2,0,0]=4 670 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [0,1,1,0,0,0|2,0,0]=4 671 B7R0.6 CC(=O)OCC(=O)O HR120464 [0,1,1,0,0,0|2,0,0]=4 672 B7R0.6 CC(C)=CCC(=O)O HR108591 [0,1,1,0,0,0|0,0,2]=4 673 B7R0.6 CC(C)CCC(=O)Cl HR101969 [0,1,1,0,0,0|0,0,2]=4 674 B7R0.6 CC(C)CCC(=O)O HR141883 [0,1,1,0,0,0|0,0,2]=4 675 B7R0.6 CN(C)CCC(=O)O HR114553 [0,1,1,0,0,0|1,0,1]=4 676 B7R0.6 CN(C)CCC(=O)O HR147791 [0,1,1,0,0,0|1,0,1]=4 677 B7R0.6 C[S+](C)CCC(=O)O HR107679 [0,1,1,0,0,0|1,0,1]=4 678 B7R0.6 C[S+](C)CCC(=O)[O-] HR144459 [0,1,1,0,0,0|1,0,1]=4 679 B7R0.6 O=C(O)CCC(=O)O HR128111 [0,1,1,0,0,0|2,0,0]=4 680 B7R0.6 O=C(O)CCC(=O)O HR135208 [0,1,1,0,0,0|2,0,0]=4 681 B7R0.6 O=C([O-])CCC(=O)[O-] HR137845 [0,1,1,0,0,0|2,0,0]=4 682 B7R0.6 O=C([O-])CCC(=O)[O-] HR138100 [0,1,1,0,0,0|2,0,0]=4 683 B7R0.6 O=C([O-])CCC(=O)[O-] HR138359 [0,1,1,0,0,0|2,0,0]=4 684 B7R1.1 BrCC1=CC=CS1 HR107794 [1,1,0,0,0,0|1,0,1]=4 685 B7R1.1 BrCC1=CC=NN1 HR119316 [1,1,0,0,0,0|2,0,0]=4 686 B7R1.1 BrCC1=CC=NO1 HR111380 [1,1,0,0,0,0|2,0,0]=4 687 B7R1.1 BrCC1=COC=C1 HR105237 [1,1,0,0,0,0|1,0,1]=4 688 B7R1.1 BrCC1=CSC=C1 HR126049 [1,1,0,0,0,0|1,0,1]=4 689 B7R1.1 CCC1=CC=CO1 HR125873 [1,1,0,0,0,0|1,0,1]=4 690 B7R1.1 CCC1=CC=CS1 HR111385 [1,1,0,0,0,0|1,0,1]=4 691 B7R1.1 CCC1=CSC=C1 HR124094 [1,1,0,0,0,0|1,0,1]=4 692 B7R1.1 COC1=CC=CS1 HR128854 [1,1,0,0,0,0|1,0,1]=4 693 B7R1.1 COC1=CSC=C1 HR138278 [1,1,0,0,0,0|1,0,1]=4 694 B7R1.1 CSC1=CC=CS1 HR119424 [1,1,0,0,0,0|1,0,1]=4 695 B7R1.1 CSC1=CSC=C1 HR153189 [1,1,0,0,0,0|1,0,1]=4 696 B7R1.1 ClCC1=CC=CS1 HR130983 [1,1,0,0,0,0|1,0,1]=4 697 B7R1.1 ClCC1=CC=NO1 HR106390 [1,1,0,0,0,0|2,0,0]=4 698 B7R1.1 ClCC1=COC=C1 HR104894 [1,1,0,0,0,0|1,0,1]=4 699 B7R1.1 ClCC1=NNC=C1 HR31924 [1,1,0,0,0,0|2,0,0]=4 700 B7R1.1 NCC1=CC=CN1 HR148675 [1,1,0,0,0,0|1,0,1]=4 701 B7R1.1 NCC1=CC=CS1 HR128270 [1,1,0,0,0,0|1,0,1]=4 702 B7R1.1 NCC1=CC=NN1 HR14846 [1,1,0,0,0,0|2,0,0]=4 703 B7R1.1 NCC1=CC=NO1 HR104828 [1,1,0,0,0,0|2,0,0]=4 704 B7R1.1 NCC1=CSC=C1 HR134337 [1,1,0,0,0,0|1,0,1]=4 705 B7R1.1 NCC1=NNC=C1 HR110853 [1,1,0,0,0,0|2,0,0]=4 706 B7R1.1 NCC1=NSC=C1 HR102659 [1,1,0,0,0,0|2,0,0]=4 707 B7R1.1 NCC1C=CCO1 HR104311 [1,1,0,0,0,0|1,0,1]=4 708 B7R1.1 NCc1ccno1 HR111646 [1,1,0,0,0,0|2,0,0]=4 709 B7R1.1 O=CC1=CC=CN1 HR133248 [1,1,0,0,0,0|1,0,1]=4 710 B7R1.1 O=CC1=CC=CO1 HR147284 [1,1,0,0,0,0|1,0,1]=4 711 B7R1.1 O=CC1=CCSC1 HR113279 [1,1,0,0,0,0|1,0,1]=4 712 B7R1.1 O=CC1=CNC=C1 HR129921 [1,1,0,0,0,0|1,0,1]=4 713 B7R1.1 O=CC1=COC=C1 HR125211 [1,1,0,0,0,0|1,0,1]=4 714 B7R1.1 O=CC1=CSC=C1 HR126177 [1,1,0,0,0,0|1,0,1]=4 715 B7R1.1 O=CC1=NNC=C1 HR114992 [1,1,0,0,0,0|2,0,0]=4 716 B7R1.1 O=CC1=NOC=C1 HR109323 [1,1,0,0,0,0|2,0,0]=4 717 B7R1.1 O=Cc1cccs1 HR125923 [1,1,0,0,0,0|1,0,1]=4 718 B7R1.1 OCC1=CC=CO1 HR147620 [1,1,0,0,0,0|1,0,1]=4 719 B7R1.1 OCC1=CC=CS1 HR136423 [1,1,0,0,0,0|1,0,1]=4 720 B7R1.1 OCC1=CC=NN1 HR118693 [1,1,0,0,0,0|2,0,0]=4 721 B7R1.1 OCC1=CC=NO1 HR105454 [1,1,0,0,0,0|2,0,0]=4 722 B7R1.1 OCC1=CC=NS1 HR114846 [1,1,0,0,0,0|2,0,0]=4 723 B7R1.1 OCC1=COC=C1 HR124594 [1,1,0,0,0,0|1,0,1]=4 724 B7R1.1 OCC1=CSC=C1 HR123712 [1,1,0,0,0,0|1,0,1]=4 725 B7R1.1 SCC1=CC=CS1 HR139099 [1,1,0,0,0,0|1,0,1]=4 726 B7R1.4 BrC1=C(Br)CCC1 HR137703 [1,1,0,0,0,0|1,0,1]=4 727 B7R1.4 C=C1CCOC1=O HR130328 [1,1,0,0,0,0|1,0,1]=4 728 B7R1.4 CC1=C(Br)C=CS1 HR128369 [1,1,0,0,0,0|1,0,1]=4 729 B7R1.4 CC1=C(Br)C=NO1 HR120798 [1,1,0,0,0,0|2,0,0]=4 730 B7R1.4 CC1=C(Br)SC=C1 HR5191 [1,1,0,0,0,0|1,0,1]=4 731 B7R1.4 CC1=C(C)ON=C1 HR105616 [1,1,0,0,0,0|2,0,0]=4 732 B7R1.4 CC1=C(Cl)SC=C1 HR130722 [1,1,0,0,0,0|1,0,1]=4 733 B7R1.4 CC1=C(I)C=NO1 HR103358 [1,1,0,0,0,0|2,0,0]=4 734 B7R1.4 CC1=C(N)C=NO1 HR112122 [1,1,0,0,0,0|2,0,0]=4 735 B7R1.4 CC1=C(S)C=CO1 HR127105 [1,1,0,0,0,0|1,0,1]=4 736 B7R1.4 CC1=C(S)C=CO1 HR138863 [1,1,0,0,0,0|1,0,1]=4 737 B7R1.4 CC1=C(S)C=CS1 HR109926 [1,1,0,0,0,0|1,0,1]=4 738 B7R1.4 CC1=C(S)CCO1 HR124755 [1,1,0,0,0,0|1,0,1]=4 739 B7R1.4 CC1=CC=NN1C HR125646 [1,1,0,0,0,0|2,0,0]=4 740 B7R1.4 CC1=CCCC1=O HR114448 [1,1,0,0,0,0|0,0,0]=2 741 B7R1.4 CC1=CNN=C1C HR107041 [1,1,0,0,0,0|2,0,0]=4 742 B7R1.4 CC1=CSC=C1Br HR30444 [1,1,0,0,0,0|1,0,1]=4 743 B7R1.4 CC1=CSC=C1C HR112647 [1,1,0,0,0,0|1,0,1]=4 744 B7R1.4 CC1=CSC=C1N HR106606 [1,1,0,0,0,0|1,0,1]=4 745 B7R1.4 CC1=NNC=C1Br HR131439 [1,1,0,0,0,0|2,0,0]=4 746 B7R1.4 CC1=NNC=C1I HR131707 [1,1,0,0,0,0|2,0,0]=4 747 B7R1.4 CC1CCCC1=O HR112329 [1,1,0,0,0,0|0,0,2]=4 748 B7R1.4 CC1CCNC1=O HR103871 [1,1,0,0,0,0|1,0,1]=4 749 B7R1.4 CC1OCCC1=O HR131028 [1,1,0,0,0,0|1,0,1]=4 750 B7R1.4 CC1SCCC1=O HR124610 [1,1,0,0,0,0|1,0,1]=4 751 B7R1.4 CN1CCCC1=O HR130754 [1,1,0,0,0,0|1,0,1]=4 752 B7R1.4 CN1CCOC1=O HR132150 [1,1,0,0,0,0|2,0,0]=4 753 B7R1.4 CN1CCSC1=S HR116749 [1,1,0,0,0,0|2,0,0]=4 754 B7R1.4 CN1SC=CC1=O HR137410 [1,1,0,0,0,0|2,0,0]=4 755 B7R1.4 NC1CCNC1=O HR148583 [1,1,0,0,0,0|1,0,1]=4 756 B7R1.4 NC1CCOC1=O HR103069 [1,1,0,0,0,0|1,0,1]=4 757 B7R1.4 NC1CCOC1=O HR134625 [1,1,0,0,0,0|1,0,1]=4 758 B7R1.4 NC1CCOC1=O HR137954 [1,1,0,0,0,0|1,0,1]=4 759 B7R1.4 NC1CCOC1=O HR146738 [1,1,0,0,0,0|1,0,1]=4 760 B7R1.4 NC1CCSC1=O HR137672 [1,1,0,0,0,0|1,0,1]=4 761 B7R1.4 NC1CONC1=O HR101265 [1,1,0,0,0,0|2,0,0]=4 762 B7R1.4 NC1CONC1=O HR127398 [1,1,0,0,0,0|2,0,0]=4 763 B7R1.4 NC1CONC1=O HR136196 [1,1,0,0,0,0|2,0,0]=4 764 B7R1.4 NN1CCCC1=O GASA04306 [1,1,0,0,0,0|1,0,1]=4 765 B7R1.4 O=C1CCC=C1O HR148600 [1,1,0,0,0,0|0,0,0]=2 766 B7R1.4 O=C1CCCC1Br HR121144 [1,1,0,0,0,0|0,0,2]=4 767 B7R1.4 O=C1CCCC1Cl HR112783 [1,1,0,0,0,0|0,0,2]=4 768 B7R1.4 O=C1NCCC1O HR102172 [1,1,0,0,0,0|1,0,1]=4 769 B7R1.4 O=C1NCCC1O HR113273 [1,1,0,0,0,0|1,0,1]=4 770 B7R1.4 O=C1NCCC1O HR113406 [1,1,0,0,0,0|1,0,1]=4 771 B7R1.4 O=C1NCCC1O HR147016 [1,1,0,0,0,0|1,0,1]=4 772 B7R1.4 O=C1OCC=C1Br HR102966 [1,1,0,0,0,0|1,0,0]=3 773 B7R1.4 O=C1OCCC1Br HR10714 [1,1,0,0,0,0|1,0,1]=4 774 B7R1.14 O=S1(=O)C=CCO1 HR119783 [1,1,0,0,0,0|2,0,0]=4 775 B7R1.10 COC1CC(=O)C1 HR114228 [0,1,0,0,1,0|0,0,2]=4 776 B7R1.10 O=C1CC(CBr)C1 HR119561 [0,1,0,0,1,0|0,0,2]=4 777 B7R1.10 O=C1CC(CCl)C1 HR119882 [0,1,0,0,1,0|0,0,2]=4 778 B7R1.10 O=C1CC(CO)C1 HR103458 [0,1,0,0,1,0|0,0,2]=4 779 B9R1.1 CC1=CC=C(C=O)C=C1 HR131206 [0,1,0,0,0,1|0,0,2]=4 780 B9R1.1 CC1=CN=C(C=O)C=C1 HR133859 [0,1,0,0,0,1|0,0,2]=4 781 B9R1.1 CC1=CN=C(C=O)C=N1 HR120860 [0,1,0,0,0,1|1,0,1]=4 782 B9R1.1 CC1=NC=C(C=O)C=C1 HR120114 [0,1,0,0,0,1|0,0,2]=4 783 B9R1.1 CC1=NC=C(C=O)C=N1 HR111302 [0,1,0,0,0,1|1,0,1]=4 784 B9R1.1 CCC1CCC(=O)CC1 HR135707 [0,1,0,0,0,1|0,0,2]=4 785 B9R1.1 CCN1CCC(=O)CC1 HR123520 [0,1,0,0,0,1|1,0,1]=4 786 B9R1.1 CNC1CCC(=O)CC1 HR117712 [0,1,0,0,0,1|0,0,2]=4 787 B9R1.1 COC1CCC(=O)CC1 HR107140 [0,1,0,0,0,1|0,0,2]=4 788 B9R1.1 O=C1C=CC(CO)=CN1 HR117167 [0,1,0,0,0,1|0,0,2]=4 789 B9R1.1 O=C1CCC(CO)CC1 HR104770 [0,1,0,0,0,1|0,0,2]=4 790 B9R1.1 O=C1CCC(CO)CN1 HR120133 [0,1,0,0,0,1|0,0,2]=4 791 B9R1.10 CC1(C)C=CC(=O)CC1 HR144444 [0,1,0,0,0,1|0,0,1]=3 792 B9R1.10 CC1(C)CC=C(Br)CC1 HR156608 [0,1,0,0,0,1|1,0,1]=4 793 B9R1.10 CC1(C)CCC(=O)CC1 HR110559 [0,1,0,0,0,1|0,0,2]=4 794 B9R1.69 CC1=CNC(=O)C=C1I HR155271 [0,1,0,0,0,1|0,0,2]=4 795 B9R1.69 CC1=CNC(=O)N=C1N HR109337 [0,1,0,0,0,1|1,0,1]=4 796 B9R1.69 CC1=CNC(=O)N=C1N HR135751 [0,1,0,0,0,1|1,0,1]=4 797 B9R1.69 CC1=CNC(=O)NC1=O HR133105 [0,1,0,0,0,1|1,0,1]=4 798 B9R1.69 CC1=NNC(=O)NC1=O HR131183 [0,1,0,0,0,1|2,0,0]=4 799 B9R1.69 CC1CN(C)CCC1=O HR132188 [0,1,0,0,0,1|1,0,1]=4 800 B9R1.69 CC1CNC(=O)CC1=O HR148296 [0,1,0,0,0,1|1,0,1]=4 801 B9R1.69 CC1CNC(=O)NC1=O HR112597 [0,1,0,0,0,1|1,0,1]=4 802 B9R1.69 NC1CCC(=O)NC1=O HR101417 [0,1,0,0,0,1|1,0,1]=4 803 B9R1.69 NC1CCC(=O)NC1=O HR103258 [0,1,0,0,0,1|1,0,1]=4 804 B9R1.69 NC1CCC(=O)NC1=O HR139508 [0,1,0,0,0,1|1,0,1]=4 805 B9R1.2 CC1=CC(C=O)=CC=C1 HR128890 [0,1,0,0,0,1|0,0,2]=4 806 B9R1.2 CC1=CC(C=O)=CN=C1 HR121509 [0,1,0,0,0,1|0,0,2]=4 807 B9R1.2 CC1=CC(C=O)=NC=C1 HR130135 [0,1,0,0,0,1|0,0,2]=4 808 B9R1.2 CC1=NC=CC(C=O)=C1 HR136587 [0,1,0,0,0,1|0,0,2]=4 809 B9R1.2 CCC1CC(=O)CCO1 HR120478 [0,1,0,0,0,1|0,0,2]=4 810 B9R1.2 CCC1CCCC(=O)N1 HR146355 [0,1,0,0,0,1|1,0,1]=4 811 B9R1.2 CCC1CCCC(=O)O1 HR115799 [0,1,0,0,0,1|1,0,1]=4 812 B9R1.2 O=C1CCCC(CO)C1 HR121488 [0,1,0,0,0,1|0,0,2]=4 813 B9R1.2 O=C1CCCC(CO)N1 HR145838 [0,1,0,0,0,1|1,0,1]=4 814 B9R1.2 O=C1CCCC(CO)N1 HR145841 [0,1,0,0,0,1|1,0,1]=4 815 B9R1.2 O=C1CCCC(CO)N1 HR145844 [0,1,0,0,0,1|1,0,1]=4 816 B9R1.2 O=C1COCC(CO)N1 HR145834 [0,1,0,0,0,1|1,0,1]=4 817 B9R1.3 CC1=C(Br)C(=O)N=CN1 HR116157 [0,1,0,0,0,1|1,0,1]=4 818 B9R1.3 CC1=C(Br)C(=O)NC=C1 HR118768 [0,1,0,0,0,1|0,0,2]=4 819 B9R1.3 CC1=C(Cl)C(=O)N=CN1 HR115320 [0,1,0,0,0,1|1,0,1]=4 820 B9R1.3 CC1=C(F)C(=O)N=CN1 HR116583 [0,1,0,0,0,1|1,0,1]=4 821 B9R1.3 CC1=C(O)C(=O)C=CO1 CAJB01101 [0,1,0,0,0,1|0,0,2]=4 822 B9R1.3 CC1C(=O)CCCC1=O HR133563 [0,1,0,0,0,1|1,0,1]=4 823 B9R1.3 O=C1CCCC(=O)C1Br HR108385 [0,1,0,0,0,1|1,0,1]=4 824 B9R1.34 CC1=CC(=O)C=C(C)O1 HR130901 [0,1,0,0,0,1|0,0,2]=4 825 B9R1.34 CC1=CC(=O)NC(=O)N1 HR138369 [0,1,0,0,0,1|1,0,1]=4 826 B9R1.34 CC1=CC(=O)NC(=S)N1 HR123090 [0,1,0,0,0,1|1,0,1]=4 827 B9R1.34 CC1=CC(=O)NC(C)=C1 HR31747 [0,1,0,0,0,1|0,0,2]=4 828 B9R1.34 CC1=CC(=O)NC(O)=C1 HR107482 [0,1,0,0,0,1|0,0,2]=4 829 B9R1.34 CC1CC(=O)CC(=O)C1 HR14279 [0,1,0,0,0,1|0,0,2]=4 830 B9R1.34 CC1CC(=O)CC(C)O1 HR111074 [0,1,0,0,0,1|0,0,2]=4 831 B9R1.66 CC1(C)CC(=O)CCO1 HR102210 [0,1,0,0,0,1|0,0,2]=4 832 B9R1.66 CC1(C)CCCC(=O)C1 HR30153 [0,1,0,0,0,1|0,0,2]=4 833 B9R1.66 CC1(O)CCOC(=O)C1 HR123601 [0,1,0,0,0,1|0,0,2]=4 834 B9R1.7 CCCC1CCC(=O)O1 HR132110 [0,2,0,0,0,0|1,0,1]=4 835 B9R1.21 CSC1=CC(C=O)=CS1 HR153250 [0,2,0,0,0,0|1,0,1]=4 836 B9R1.22 CC1=CC(C=O)=C(C)S1 HR102085 [0,2,0,0,0,0|1,0,1]=4 837 B9R1.23 CC1N=C(CN)OC1=O HR108094 [0,2,0,0,0,0|2,0,0]=4 838 B9R1.35 CC(=O)C1=CC(C)=CS1 HR145098 [0,2,0,0,0,0|1,0,1]=4 839 B9R1.35 CC(=O)N1CCC(=O)C1 HR116402 [0,2,0,0,0,0|1,0,1]=4 840 B9R1.35 CC1=CC(C(=O)Cl)=NO1 HR139769 [0,2,0,0,0,0|2,0,0]=4 841 B9R1.35 CC1=CC(C(=O)O)=NO1 HR130137 [0,2,0,0,0,0|2,0,0]=4 842 B9R1.35 CC1=CC(C(N)=O)=NO1 HR147524 [0,2,0,0,0,0|2,0,0]=4 843 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 HR148138 [0,2,0,0,0,0|2,0,0]=4 844 B9R1.35 CC1=CNC(C(=O)O)=C1 HR104056 [0,2,0,0,0,0|1,0,1]=4 845 B9R1.35 CC1=CSC(C(=O)O)=C1 HR134914 [0,2,0,0,0,0|1,0,1]=4 846 B9R1.35 CC1=NNC(C(=O)O)=C1 HR7842 [0,2,0,0,0,0|2,0,0]=4 847 B9R1.35 CC1=NOC(C(=O)O)=C1 HR107329 [0,2,0,0,0,0|2,0,0]=4 848 B9R1.132 CCC1=C(O)C(=O)CC1 HR124889 [0,2,0,0,0,0|0,0,0]=2 849 B9R1.132 CN1C(=O)CCC1CO HR149021 [0,2,0,0,0,0|1,0,1]=4 850 B9R1.37 CC1=C(C)C(=O)OC1=O HR110712 [0,2,0,0,0,0|1,0,1]=4 851 B9R1.37 CC1=C(O)C(=O)C(C)O1 HR128379 [0,2,0,0,0,0|1,0,0]=3 852 B9R1.37 CC1=C(O)C(=O)OC1C HR132334 [0,2,0,0,0,0|1,0,0]=3 853 B9R1.37 CC1CC(=O)C(=O)C1C HR124020 [0,2,0,0,0,0|0,0,1]=3 854 B9R1.37 CC1CC(C)C(=O)C1=O HR137255 [0,2,0,0,0,0|0,0,1]=3 855 B9R1.38 CC1(C)CC(=O)OC1=O HR141116 [0,2,0,0,0,0|2,0,0]=4 856 B9R1.27 C=CN1C(=O)CCC1=O HR146374 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.27 CCC1=C(C)CNC1=O HR133364 [0,2,0,0,0,0|1,0,0]=3 858 B9R1.27 CCC1C(=O)CCC1=O HR124455 [0,2,0,0,0,0|1,0,1]=4 859 B9R1.138 CC1(C)COC(=O)C1=O HR142382 [0,2,0,0,0,0|1,0,1]=4 860 B7R1.3 BrC1=CCCCC1 HR156605 [0,0,1,1,0,0|1,0,1]=4 861 B7R1.3 BrC1C=CCCC1 HR103088 [0,0,1,1,0,0|1,0,1]=4 862 B7R1.3 CC1=CCCCC1 HR143913 [0,0,1,1,0,0|1,0,1]=4 863 B7R1.3 ClC1=CCCCC1 HR129641 [0,0,1,1,0,0|1,0,1]=4 864 B7R1.3 O=C1C=CCCC1 HR146309 [0,0,1,1,0,0|0,0,0]=2 865 B7R1.3 O=C1CCCCC1 SIJL01002 [0,0,1,1,0,0|0,0,2]=4 866 B7R1.3 O=C1CCCCN1 HR126393 [0,0,1,1,0,0|1,0,1]=4 867 B7R1.3 O=C1CCCCO1 HR128412 [0,0,1,1,0,0|1,0,1]=4 868 B7R1.3 O=C1CCCNC1 HR108093 [0,0,1,1,0,0|1,0,1]=4 869 B7R1.3 O=C1CCCNC1 HR116769 [0,0,1,1,0,0|1,0,1]=4 870 B7R1.3 O=C1CCCOC1 HR104744 [0,0,1,1,0,0|1,0,1]=4 871 B7R1.3 OC1C=CCCC1 HR108292 [0,0,1,1,0,0|0,0,2]=4 872 B7R1.22 CCC(=O)C1CC1 HR104134 [0,0,1,1,0,0|0,0,2]=4 873 B7R1.18 CC(=O)C1CCC1 HR143826 [0,0,1,1,0,0|0,0,2]=4 874 B7R1.18 O=C(Cl)C1CCC1 HR129809 [0,0,1,1,0,0|1,0,1]=4 875 B7R1.18 O=C(O)C1CCC1 HR136661 [0,0,1,1,0,0|1,0,1]=4 876 B7R1.18 O=C(O)C1CNC1 SIJL01006 [0,0,1,1,0,0|2,0,0]=4 877 B7R1.18 O=C(O)C1COC1 HR111082 [0,0,1,1,0,0|2,0,0]=4 878 B9R2.25 O=C1OC(=O)C2CC12 HR102599 [0,0,0,1,0,1|2,0,0]=4 879 B9R2.39 O=C1CC2CCC1C2 HR102426 [0,0,0,1,0,1|0,0,2]=4 880 B5R0.5 C=C(C)C(=O)Cl HR138689 [0,0,1,0,1,0|1,0,1]=4 881 B5R0.5 C=C(C)C(=O)[O-] HR113778 [0,0,1,0,1,0|1,0,1]=4 882 B5R0.5 C=C(C)C(=O)[O-] HR114122 [0,0,1,0,1,0|1,0,1]=4 883 B5R0.5 C=C(C)C(=O)[O-] HR121033 [0,0,1,0,1,0|1,0,1]=4 884 B5R0.5 C=C(C)C(=O)[O-] HR122305 [0,0,1,0,1,0|1,0,1]=4 885 B5R0.5 C=C(C)C(=O)[O-] HR125115 [0,0,1,0,1,0|1,0,1]=4 886 B5R0.5 C=C(C)C(=O)[O-] HR135365 [0,0,1,0,1,0|1,0,1]=4 887 B5R0.5 C=C(C)C(N)=O HR124465 [0,0,1,0,1,0|1,0,1]=4 888 B5R0.5 CC(=O)C(=O)O HR137803 [0,0,1,0,1,0|2,0,0]=4 889 B5R0.5 CC(=O)C(=O)[O-] HR112958 [0,0,1,0,1,0|2,0,0]=4 890 B5R0.5 CC(=O)C(=O)[O-] HR125137 [0,0,1,0,1,0|2,0,0]=4 891 B5R0.5 CC(=O)C(=O)[O-] HR130480 [0,0,1,0,1,0|2,0,0]=4 892 B5R0.5 CC(=O)C(=O)[O-] HR132795 [0,0,1,0,1,0|2,0,0]=4 893 B5R0.5 CC(=O)C(C)=O HR147207 [0,0,1,0,1,0|1,0,0]=3 894 B5R0.5 CC(=O)C(C)Br HR130439 [0,0,1,0,1,0|1,0,1]=4 895 B5R0.5 CC(=O)C(C)C HR147367 [0,0,1,0,1,0|0,0,1]=3 896 B5R0.5 CC(=O)C(C)Cl HR132014 [0,0,1,0,1,0|1,0,1]=4 897 B5R0.5 CC(=O)C(C)S HR123296 [0,0,1,0,1,0|1,0,1]=4 898 B5R0.5 CC(=O)N(C)C HR128416 [0,0,1,0,1,0|1,0,0]=3 899 B5R0.5 CC(C)C(=O)Cl DAJL01406 [0,0,1,0,1,0|1,0,1]=4 900 B5R0.5 CC(C)C(N)=O HR130010 [0,0,1,0,1,0|1,0,1]=4 901 B5R0.5 CN(C)C(N)=O HR126485 [0,0,1,0,1,0|2,0,0]=4 902 B5R1.2 O=C1CCC1 HR9021 [1,0,0,0,1,0|0,0,1]=3 903 B5R1.2 O=C1CCN1 HR128794 [1,0,0,0,1,0|1,0,0]=3 904 B5R1.2 O=C1CCO1 HR101496 [1,0,0,0,1,0|1,0,0]=3 905 B5R1.2 O=C1CNC1 HR108729 [1,0,0,0,1,0|1,0,1]=4 906 B5R1.2 O=C1CNC1 HR114873 [1,0,0,0,1,0|1,0,1]=4 907 B5R1.2 O=C1COC1 HR111276 [1,0,0,0,1,0|1,0,1]=4 908 B5R1.2 O=C1CSC1 HR105015 [1,0,0,0,1,0|1,0,1]=4 909 B9R1.49 CN1CCCC(=O)CC1 HR115762 [0,0,0,0,0,2|1,0,1]=4 910 B9R1.49 CN1CCCC(=O)CC1 HR2443 [0,0,0,0,0,2|1,0,1]=4 911 B9R1.49 CN1CCNC(=O)CC1 HR112731 [0,0,0,0,0,2|1,0,1]=4 912 B9R1.49 CN1CCNC(=O)CC1 HR146772 [0,0,0,0,0,2|1,0,1]=4 913 B9R1.49 O=C1CCC(=O)O[Cd]O1 HR120471 [0,0,0,0,0,2|2,0,0]=4 914 B9R1.48 O=C1CCCCC(=O)C1 HR20261 [0,0,0,0,0,2|1,0,1]=4