0 B9R0.5 CCC=CCC(=O)OCC E47083 [0,1,0,0,0,0|2,0,1]=4 1 B9R0.5 CCCC=CC(=O)OCC E47082 [0,1,0,0,0,0|2,0,0]=3 2 B9R0.5 CCOC=CC(=O)OCC E43814 [0,1,0,0,0,0|3,0,0]=4 3 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,1,0,0,0,0|3,0,0]=4 4 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,0,0,1,0,0|1,0,1]=3 5 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.8 COCC1=NC=CC=C1 M46377 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.12 CCCCC1=CSC=C1 B47048 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.12 CCOCC1=CC=CO1 E38338 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.15 CC1=C(CO)C=CN=N1 M63840 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.15 CC1=CC=CN=C1CO H46388 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.15 CC1=NC=CN=C1CO H14616 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [0,0,0,1,0,0|1,0,2]=4 25 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.15 OCC1=CC=CN=C1Br B69414 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.15 OCC1=CC=CN=C1Cl C0580 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.15 OCC1=CC=CN=C1F F42930 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [0,0,0,1,0,0|0,0,2]=3 40 B6R0.6 CC=CCCCO H41548 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|0,0,0]=2 42 B6R0.6 C\C=C\C=C\CO H69109 [2,0,0,0,0,0|0,0,0]=2 43 B8R0.1 CCOC(=O)\C=C\C=O E69342 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.1 CCOC(=O)\C=C\CBr E43399 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.6 CCCC=CC(=O)OC M43802 [1,1,0,0,0,0|1,0,0]=3 46 B10R0.71 CCCCC\C=C\C=C\C=O D68694 [0,2,0,0,0,0|0,0,2]=4 47 B8R1.2 BrCC1=CCCCC1 B10308 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.2 O=CC1=COCCC1 D43307 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.2 OCC1=CN=CC=C1 P15946 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.2 OCC1=NC=CC=C1 P69303 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.2 OCC1=NN=CC=C1 P0155 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [1,0,0,1,0,0|0,0,2]=4 53 B8R1.5 CC1=C(O)C=CC=N1 H10468 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.5 CC1=CC=CN=C1C L68373 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,1,0,0|0,1,0]=3 56 B8R1.8 CCCC1=NC=CN1 P68616 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.8 CCCC1=NC=CS1 P43394 [1,0,0,1,0,0|1,1,0]=4 58 B8R1.8 CNCC1=CC=CS1 M43398 [1,0,0,1,0,0|1,1,0]=4 59 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,1,0,0|1,1,0]=4 60 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,1,0,0|1,1,0]=4 61 B8R1.11 CCN1C=CN=C1C E63017 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.11 CN1C=CC=C1CN M41429 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.11 CN1C=CN=C1CO M41198 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.11 CN1C=NC=C1CO H14300 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.22 O=C1C=CCCCC1 C67890 [1,0,0,1,0,0|0,0,2]=4 66 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.11 CCOC(=O)C1=CC=NO1 E43160 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.25 CC1=C(CO)C=CC(Br)=C1 B61046 [0,1,0,1,0,0|0,0,2]=4 69 B10R1.25 CC1=C(CO)C=CC(F)=N1 F46222 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.25 CC1=C(CO)C=CC(N)=C1 A39080 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [0,1,0,1,0,0|0,0,2]=4 72 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.130 CCCC1=CC(=O)O[C@@H]1O H43725 [0,1,0,1,0,0|1,0,0]=3 74 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.245 CC1=CC=CC(C)=C1CO D50274 [0,1,0,1,0,0|0,0,2]=4 76 B10R1.245 CC1=CC=CC(F)=C1CO F49464 [0,1,0,1,0,0|0,0,2]=4 77 B10R1.245 CC1=CC=CC(O)=C1CO H46831 [0,1,0,1,0,0|0,0,2]=4 78 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [0,1,0,1,0,0|0,0,2]=4 79 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [0,1,0,1,0,0|0,0,2]=4 80 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,1,0,1,0,0|0,0,2]=4 81 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,1,0,1,0,0|1,0,1]=4 90 B10R1.30 CC1=C(CO)C=C(Br)C=C1 B67343 [0,1,0,1,0,0|0,0,2]=4 91 B10R1.30 CC1=C(CO)C=C(I)C=C1 K49473 [0,1,0,1,0,0|0,0,2]=4 92 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [0,1,0,1,0,0|0,0,1]=3 93 B10R1.20 CNC1=C(CO)C=CC=C1 M38311 [0,1,0,1,0,0|0,0,2]=4 94 B10R1.20 CNC1=C(CO)C=CC=N1 M43647 [0,1,0,1,0,0|1,0,1]=4 95 B10R1.20 COC1=C(CO)C=NC=C1 M46401 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.20 COC1=C(CO)N=CC=C1 M46400 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.20 COC1=NC=CC=C1CO M12722 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.20 NCC1=C(CO)C=CC=C1 A46911 [0,1,0,1,0,0|0,0,2]=4 99 B10R1.20 NCC1=C(CO)C=CC=N1 A46594 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.20 OCC1=C(CBr)C=CC=C1 B39077 [0,1,0,1,0,0|0,0,2]=4 101 B10R1.20 OCC1=C(CO)C=CC=C1 B60807 [0,1,0,1,0,0|0,0,2]=4 102 B10R1.20 OCC1=C(CO)C=NC=C1 H29878 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.20 OCC1=C(CO)C=NC=C1 P12090 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.2 CC1=C(Br)C=CC=C1CO B36982 [0,1,0,1,0,0|0,0,2]=4 108 B10R1.2 CC1=CC=CC(CO)=C1C D50272 [0,1,0,1,0,0|0,0,2]=4 109 B10R1.2 CN1C(CN)=CC=C[C@@H]1Br B43746 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.172 CCC1=CC=CC(CC)=N1 D50308 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.172 CCC1=CC=CC(CO)=N1 E46907 [0,1,0,1,0,0|0,0,1]=3 115 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.172 NCC1=CC=CC(CO)=C1 A46908 [0,1,0,1,0,0|1,0,1]=4 118 B10R1.172 NCC1=CC=CC(CO)=N1 A46595 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.172 OCC1=CC=CC(CCl)=C1 C49450 [0,1,0,1,0,0|1,0,1]=4 120 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [0,0,0,2,0,0|0,0,2]=4 121 B10R2.7 C1=CN2CCNCC2=C1 T14626 [0,0,0,2,0,0|2,0,0]=4 122 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,0,0,2,0,0|1,0,1]=4 123 B10R2.32 O[C@H]1CCN2C=CN=C12 P60959 [0,0,0,2,0,0|2,0,0]=4