0 B8R1.50 CC1=C(Br)C(Br)=NN1 SY046772 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.50 CC1=C(C)C(N)=NO1 SY018148 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.50 CC1=C(I)C(I)=NN1 SY115252 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.50 CC1=CSC(C)=C1Br SY225463 [0,0,0,0,0,0|2,1,1]=4 4 B8R1.50 CC1=NNC(C)=C1Br SY010799 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.50 CC1=NNC(C)=C1I SY005941 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.50 CC1=NNC(C)=C1N SY079005 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.50 CC1=NNC(N)=C1C SY009268 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.50 CC1=NNC(O)=C1C SY250666 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.50 CC1=NOC(C)=C1Br SY018309 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.50 CC1=NOC(C)=C1I SY004304 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.50 CC1=NOC(C)=C1N SY109596 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.50 CC1C(=O)CCC1=O SY015623 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.50 CN1C(=O)CSC1=O SY023727 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.50 O=C1CCC(=O)N1I SY001605 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.50 O=C1CCC(=O)N1O SY001334 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.50 O=C1OC[C@@H](O)[C@H]1O SY027383 [0,0,0,0,0,0|1,0,3]=4 17 B8R1.50 O=C1OC[C@H](O)[C@H]1O SY264849 [0,0,0,0,0,0|1,0,3]=4 18 B7R1.2 CC1=CC(Br)=CS1 SY009269 [1,0,0,0,0,0|1,1,1]=4 19 B7R1.2 CC1=CC(Br)=NN1 SY030862 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 CC1=CC(Br)=NO1 SY037249 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.2 CC1=CC(C)=NN1 SY001302 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 CC1=CC(Cl)=NN1 SY035853 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 CC1=CC(I)=NN1 SY114542 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.2 CC1=CC(N)=NN1 SY003009 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.2 CC1=CC(N)=NO1 SY001097 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.2 CC1=NC(Br)=NO1 SY041226 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.2 CC1=NC(N)=NO1 SY083716 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 CC1=NNC(=O)C1 SY010796 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.2 CC1=NNC(=O)O1 SY017602 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 CC1=NOC(N)=C1 SY048418 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.2 CC1=NOC(O)=C1 SY040816 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.2 CC1=NSC(N)=C1 SY027628 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1CCC(=O)C1 SY003033 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.2 CC1CCC(=O)O1 SY011304 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.2 NC1=NC(=O)CS1 SY034788 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.2 O=C1CCC(=O)C1 SY003377 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.2 O=C1COC(=O)C1 SY048546 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.2 O=C1CSC(=O)N1 SY001546 [1,0,0,0,0,0|2,1,0]=4 39 B7R1.2 O=C1CSC(=S)N1 SY037748 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.4 BrC1=COC=C1Br SY023104 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.4 C=C1CCOC1=O SY013907 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.4 CC1=C(C)NC=C1 SY284153 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.4 CC1=C(I)C=NO1 SY038698 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.4 CC1=C(N)ON=C1 SY193496 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.4 CC1=CCNC1=O SY295114 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.4 CC1=CNN=C1C SY024902 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.4 CC1=CNN=C1C SY102711 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.4 CC1=COC=C1Br SY298744 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.4 CC1=CON=C1Br SY037253 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.4 CC1=CSC=C1Br SY009333 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.4 CC1=CSC=C1C SY100626 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.4 CC1=NNC=C1Br SY010801 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.4 CC1=NNC=C1I SY010800 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.4 CC1=NOC=C1Br SY265513 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.4 CC1OCCC1=O SY001818 [1,0,0,0,0,0|0,0,3]=4 56 B7R1.4 CN1N=CC=C1O SY047635 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.4 O=C1CCCC1=O SY057516 [1,0,0,0,0,0|1,0,2]=4 58 B7R1.4 O=C1OCC=C1Br SY017900 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.4 O=C1OCCC1O SY052569 [1,0,0,0,0,0|1,0,2]=4 60 B7R1.4 O=C1OCC[C@@H]1O SY027538 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.27 CC1=NOC(C)=C1C=O SY019252 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.27 CC1=NOC(C)=C1CCl SY027121 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.27 CC1=NOC(C)=C1CN SY035342 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.27 CC1=NOC(C)=C1CO SY004843 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.27 CCC1=C(C)CNC1=O SY032675 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.27 N#CC1=C(N)NCC1=O SY293542 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.27 N#CC1=C(N)NCC1=O SY294777 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.27 N#CC1=C(N)SCC1=O SY289631 [0,1,0,0,0,0|2,1,0]=4 69 B9R1.37 CC1=C(C)C(=O)OC1=O SY008056 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.37 CC1=C(O)C(=O)C(C)O1 SY035594 [0,1,0,0,0,0|0,0,0]=1 71 B9R1.37 O=C1OC(Cl)C(Cl)=C1Cl SY246823 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.132 CC1=C(C)C(C=O)=CS1 SY220323 [0,1,0,0,0,0|1,1,1]=4 73 B9R1.132 CCC1=C(O)C(=O)CC1 SY053179 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.138 CC1(C)CCC(=O)C1=O SY271983 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.10 COC(=O)C(C)C=O SY238219 [0,0,1,0,0,0|2,0,1]=4 76 B7R0.16 C=C(C(=O)O)C(=O)O SY285531 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.16 CC(=O)C(C)C(C)=O SY048147 [0,0,1,0,0,0|1,0,2]=4 78 B9R1.3 CC1=C(Br)C(=O)NC=C1 SY025693 [0,0,0,0,0,1|2,0,1]=4 79 B9R1.3 CC1=C(C)C(=O)NC=N1 SY036346 [0,0,0,0,0,1|2,0,1]=4 80 B9R1.3 CC1=C(O)C(=O)C=CO1 SY011358 [0,0,0,0,0,1|0,0,1]=2 81 B9R1.3 CC1=C(O)C(Br)=CC=C1 SY053250 [0,0,0,0,0,1|2,0,1]=4 82 B9R1.3 CC1=C(O)C(F)=CC=C1 SY034385 [0,0,0,0,0,1|2,0,1]=4 83 B9R1.3 CC1=CC=CC(N)=C1O SY018799 [0,0,0,0,0,1|2,0,1]=4 84 B9R1.3 O=C1CCCC(O)=C1Cl SY059627 [0,0,0,0,0,1|3,0,0]=4 85 B9R1.69 CC1=C(O)C=C(N)C=C1 SY007529 [0,0,0,0,0,1|2,0,1]=4 86 B9R1.69 CC1=CC(O)=C(F)C=C1 SY020674 [0,0,0,0,0,1|2,0,1]=4 87 B9R1.69 CC1=CC(O)=C(N)C=C1 SY018794 [0,0,0,0,0,1|2,0,1]=4 88 B9R1.69 CC1=CC=C(Br)C(O)=C1 SY020550 [0,0,0,0,0,1|2,0,1]=4 89 B9R1.69 CC1=CC=C(Br)C=C1O SY018453 [0,0,0,0,0,1|2,0,1]=4 90 B9R1.69 CC1=CC=C(O)C(O)=C1 SY012747 [0,0,0,0,0,1|1,0,2]=4 91 B9R1.69 CC1=CC=C(O)C=C1O SY110464 [0,0,0,0,0,1|1,0,2]=4 92 B9R1.69 CC1=CN=C(Cl)C(O)=C1 SY105265 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.69 CC1=CN=C(Cl)N=C1O SY151202 [0,0,0,0,0,1|3,0,0]=4 94 B9R1.69 CC1=CNC(=O)N=C1N SY046975 [0,0,0,0,0,1|3,0,0]=4 95 B9R1.69 CC1=CNC(=O)NC1=O SY014896 [0,0,0,0,0,1|2,0,1]=4 96 B9R1.69 CC1=NC=C(Br)C(O)=N1 SY108541 [0,0,0,0,0,1|2,0,1]=4 97 B9R1.69 CC1=NNC(=O)C(Br)=C1 SY108181 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.69 CC1CCC(=O)CC1=O SY271609 [0,0,0,0,0,1|1,0,2]=4 99 B9R1.69 CN1CCC(=O)CC1=O SY026428 [0,0,0,0,0,1|2,0,1]=4 100 B9R1.69 O=C1C=C(O)C(Cl)=CN1 SY029154 [0,0,0,0,0,1|3,0,0]=4 101 B6R0.1 CCC(=O)COC SY190908 [1,0,1,0,0,0|1,0,1]=4 102 B6R0.1 CCOC(=O)CO SY002762 [1,0,1,0,0,0|0,0,2]=4 103 B6R0.1 COC(=O)C=CI SY264761 [1,0,1,0,0,0|2,0,0]=4 104 B6R0.1 COC(=O)\C=C/I SY257888 [1,0,1,0,0,0|2,0,0]=4 105 B6R0.1 COCC(=O)NN SY109583 [1,0,1,0,0,0|2,0,0]=4 106 B6R0.4 CC(C)OCC=O SY269035 [1,0,1,0,0,0|0,0,2]=4 107 B6R0.4 CNCCC(=O)O SY005345 [1,0,1,0,0,0|2,0,0]=4 108 B6R0.4 CNCCC(=O)O SY112486 [1,0,1,0,0,0|2,0,0]=4 109 B6R0.4 COCCC(=O)O SY028921 [1,0,1,0,0,0|2,0,0]=4 110 B6R0.4 O=CNCC(=O)O SY052094 [1,0,1,0,0,0|2,0,0]=4 111 B6R0.3 C=C(F)C(=O)OC SY044794 [1,0,1,0,0,0|2,0,0]=4 112 B6R0.3 C=CC(=O)C(=O)O SY253275 [1,0,1,0,0,0|0,0,2]=4 113 B6R0.3 CCC(=O)C(=O)O SY011034 [1,0,1,0,0,0|0,0,2]=4 114 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [1,0,1,0,0,0|1,0,1]=4 115 B6R0.3 CC[C@H](O)C(=O)O SY066872 [1,0,1,0,0,0|0,0,2]=4 116 B6R0.3 CNC(C)C(=O)O SY006014 [1,0,1,0,0,0|1,0,1]=4 117 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [1,0,1,0,0,0|1,0,1]=4 118 B6R0.3 CN[C@H](C)C(=O)O SY024216 [1,0,1,0,0,0|1,0,1]=4 119 B6R0.3 COC(C)C(=O)O SY034306 [1,0,1,0,0,0|0,0,1]=3 120 B6R0.3 CON(C)C(C)=O SY004033 [1,0,1,0,0,0|2,0,0]=4 121 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [1,0,1,0,0,0|0,0,1]=3 122 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [1,0,1,0,0,0|1,0,1]=4 123 B6R0.3 C[C@H](ON)C(=O)O SY286489 [1,0,1,0,0,0|1,0,1]=4 124 B6R0.3 C\C=C(\C)C(=O)O SY053021 [1,0,1,0,0,0|1,0,0]=3 125 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [1,0,1,0,0,0|0,0,1]=3 126 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [1,0,1,0,0,0|0,0,1]=3 127 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [1,0,1,0,0,0|0,0,1]=3 128 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [1,0,1,0,0,0|0,0,1]=3 129 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [1,0,1,0,0,0|0,0,1]=3 130 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [1,0,1,0,0,0|0,0,1]=3 131 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [1,0,1,0,0,0|0,0,1]=3 132 B6R1.2 BrC1=CON=C1 SY008721 [2,0,0,0,0,0|2,0,0]=4 133 B6R1.2 BrC1=NOC=C1 SY009266 [2,0,0,0,0,0|2,0,0]=4 134 B6R1.2 CC1=CC=CN1 SY004787 [2,0,0,0,0,0|1,0,1]=4 135 B6R1.2 CC1=CC=NO1 SY038700 [2,0,0,0,0,0|1,0,0]=3 136 B6R1.2 CC1=CNC=C1 SY014135 [2,0,0,0,0,0|2,0,0]=4 137 B6R1.2 IC1=CON=C1 SY106909 [2,0,0,0,0,0|2,0,0]=4 138 B6R1.2 NC1=COC=C1 SY237155 [2,0,0,0,0,0|1,0,1]=4 139 B6R1.2 NC1=CON=C1 SY041839 [2,0,0,0,0,0|2,0,0]=4 140 B6R1.2 NC1=NOC=C1 SY007959 [2,0,0,0,0,0|2,0,0]=4 141 B6R1.2 O=C1C=CCN1 SY032773 [2,0,0,0,0,0|2,0,0]=4 142 B6R1.2 O=C1C=CCO1 SY017893 [2,0,0,0,0,0|1,0,0]=3 143 B6R1.2 O=C1C=CNN1 SY022755 [2,0,0,0,0,0|2,0,0]=4 144 B6R1.2 O=C1C=CSN1 SY045488 [2,0,0,0,0,0|1,1,0]=4 145 B6R1.2 O=C1CCOC1 SY003100 [2,0,0,0,0,0|0,0,2]=4 146 B6R1.2 OC1=CNN=C1 SY032456 [2,0,0,0,0,0|2,0,0]=4 147 B6R1.2 OC1=NOC=C1 SY197715 [2,0,0,0,0,0|1,0,1]=4 148 B8R0.18 CC(=O)C(=NO)C(C)=O SY011545 [0,1,1,0,0,0|0,0,1]=3 149 B8R1.1 CC1=CC(CN)=NO1 SY022793 [1,1,0,0,0,0|2,0,0]=4 150 B8R1.1 CC1=CSC(C=O)=C1 SY035937 [1,1,0,0,0,0|2,0,0]=4 151 B8R1.1 CC1=NOC(CBr)=C1 SY036655 [1,1,0,0,0,0|2,0,0]=4 152 B8R1.1 CCC1=CC(O)=NO1 SY248522 [1,1,0,0,0,0|1,0,1]=4 153 B8R1.1 CCC1=CCC(C)=C1 SY308291 [1,1,0,0,0,0|2,0,0]=4 154 B8R1.1 COC1=CC(N)=NO1 SY006835 [1,1,0,0,0,0|2,0,0]=4 155 B8R1.1 O=C1C=C(CBr)CO1 SY003604 [1,1,0,0,0,0|2,0,0]=4 156 B8R1.18 CC1=CC(=O)OC1O SY104829 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.11 CC1=C(C#N)C=NO1 SY040667 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.11 CC1=C(CCl)C=NO1 SY197419 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.11 CC1=C(CN)C=NO1 SY035076 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.11 CC1=C(CO)C=CO1 SY026412 [1,1,0,0,0,0|0,0,1]=3 161 B8R1.11 CC1=C(CO)ON=C1 SY226579 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.25 O=C1C(=O)C(O)=C1O SY002206 [0,1,0,0,1,0|1,0,1]=4 163 B10R1.119 CC1=C(O)C(=O)C=CN1C SY052576 [0,1,0,0,0,1|1,0,1]=4 164 B10R1.245 COC1=C(C)NC=CC1=O SY097426 [0,1,0,0,0,1|1,0,1]=4 165 B10R1.25 CC1=CC=C(C=O)C(O)=C1 SY050636 [0,1,0,0,0,1|1,0,1]=4 166 B10R1.192 CC1=NOC(C)=C1B(O)O SY007869 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.192 CC1=NOC(C)=C1C(=O)O SY007292 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.191 CC1=C(C)C(C)C(C)C1=O SY062078 [0,2,0,0,0,0|2,0,0]=4 169 B10R1.94 CCOC1=C(Br)C(=O)CC1 SY262179 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.23 C=C(NC(C)=O)C(=O)O SY026505 [0,0,1,0,0,1|2,0,0]=4 171 B8R1.4 CC1=CC(=O)CCC1 SY011435 [1,0,0,0,0,1|1,0,0]=3 172 B8R1.4 CC1=CC(=O)NN=C1 SY031246 [1,0,0,0,0,1|2,0,0]=4 173 B8R1.4 NC1=CC(=O)CCC1 SY019251 [1,0,0,0,0,1|2,0,0]=4 174 B8R1.4 O=C1COCC(=O)C1 SY042206 [1,0,0,0,0,1|1,0,1]=4 175 B8R1.4 O=C1COCC(=O)O1 SY005494 [1,0,0,0,0,1|2,0,0]=4