0 B6R0.4 C=CCCC(C)Br OR55112 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C=CCC[C@@H](C)O OR304052 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 CC(C)=CCCBr OR3008 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.4 CC(C)CN=C=S OR28903 [0,0,0,0,0,0|1,1,2]=4 4 B6R0.4 CN(C)C=CC#N OR7503 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.4 CO\C=C\C(C)=O OR52529 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=CC[C@H](C)O OR304051 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.1 C=CNC(C)=O OR938950 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC(C)=CCBr OR46013 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CC(C)=CCCl OR22167 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CC(C)=C[Mg]Br OR320001 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CC(C)=C[Mg]Cl OR320002 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CC(C)CC#N OR52674 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CC(C)CCI OR8220 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CC(C)CCN OR12816 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CC(C)CCO OR460021 [1,0,0,0,0,0|0,0,3]=4 16 B5R0.1 CC(C)CNN OR0203 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(C)C[Mg]Br OR52618 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(C)N=C=S OR30306 [1,0,0,0,0,0|1,1,1]=4 19 B5R0.2 BrC\C=C\CBr OR3193 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 CCCCC=O OR5422 [1,0,0,0,0,0|0,0,2]=3 21 B5R0.2 CCO\C=C/Br OR10832 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.2 CC(C)NC(=O)CN OR8216 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.2 CC(C=O)=CN(C)C OR24502 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.2 COC(=O)C=C(C)C OR7136 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.5 CC(C)C(=O)CC#N OR61296 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.6 CC(=O)C=CC(C)C OR27820 [0,1,0,0,0,0|0,0,0]=1 29 B7R0.6 CC(C)CCC(=O)O OR40421 [0,1,0,0,0,0|0,0,2]=3 30 B7R0.6 CC(C)OCC(=O)O OR46564 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.6 CC(C)\C=C/C(=O)O OR6364 [0,1,0,0,0,0|0,0,0]=1 32 B7R0.6 CN(C)C=C[N+](=O)[O-] OR7588 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.6 O=C(O)\C=C/C(=O)O OR17920 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.2 CC1=CC=C(Br)S1 OR15029 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.2 CC1=CC=C(C)O1 OR28939 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.2 CC1=CC=C(C)S1 OR10142 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.2 CC1=CC=C(I)S1 OR61040 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.2 CC1=CC=C(N)S1 OR19530 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.2 CC1=NN(C)C=C1 OR2502 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.2 CN1C=CC(I)=N1 OR9305 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.2 CN1C=CC(N)=N1 OR24245 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.2 O=C1C=CC(=O)N1 OR5487 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 O=C1C=CC(=O)O1 OR61510 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,0,0,1,0,0|2,0,1]=4 47 B4R0.1 C=CC(C)C OR460043 [2,0,0,0,0,0|0,0,0]=2 48 B4R0.1 C=CC(C)Cl OR55516 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.1 CC(=O)C=O OR53061 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.1 CC(=O)C=O OR5752 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 CC(C)=CCl OR16424 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.1 CC(C)C=O OR322092 [2,0,0,0,0,0|0,0,0]=2 53 B4R0.1 CC(C)CI OR2195 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.1 CC(C)NN OR7919 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 CC(C)NO OR59437 [2,0,0,0,0,0|1,0,1]=4 56 B4R0.1 CC(C)ON OR933332 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.1 CC(C)[Mg]Br OR320105 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 CC(C)[Mg]Br OR320106 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 CC(C)[Mg]Cl OR320107 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 C=CCCBr OR8033 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 C=CCCC OR5326 [2,0,0,0,0,0|0,0,1]=3 62 B4R0.2 C=CCNC OR3619 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.2 CC=CCCl OR5497 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.2 CC=CCO OR18372 [2,0,0,0,0,0|0,0,2]=4 65 B4R0.2 CCOC=O OR28814 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.2 C\C=C\CCl OR51978 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.2 CC(=O)C=C(C)N OR1506 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.2 CC(=O)CC(C)C OR61047 [1,1,0,0,0,0|0,0,1]=3 69 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.2 CC(C)=CC(=O)Cl OR29360 [1,1,0,0,0,0|0,0,1]=3 71 B6R0.2 CC(C)=CC(=O)O OR46069 [1,1,0,0,0,0|0,0,1]=3 72 B6R0.2 CC(C)=C[N+](=O)[O-] OR310840 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.2 CC(C)CC(=O)O OR2260 [1,1,0,0,0,0|0,0,1]=3 74 B6R0.2 CC(C)CC(N)=O OR22499 [1,1,0,0,0,0|0,0,1]=3 75 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.2 CN(C)CC(=O)O OR45130 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.3 CC(C)C(=N)NO OR40109 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.3 CC(C)C(=O)CBr OR346253 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.5 C=CC[Si](C)(C)Cl OR55393 [1,1,0,0,0,0|0,1,1]=4 80 B6R0.5 CC(C)(C)ON=O OR2337 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.5 C[N+](C)(C)CC=O OR2501 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.6 CCCCCC=O OR6051 [1,1,0,0,0,0|0,0,2]=4 83 B6R0.6 CCC\C=C\C=O OR6052 [1,1,0,0,0,0|0,0,0]=2 84 B6R0.6 CCOC=CC#N OR46505 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.6 C\C=C\C=C\C=O OR6049 [1,1,0,0,0,0|0,0,1]=3 86 B6R0.6 C\C=C\C=C\CO OR13712 [1,1,0,0,0,0|0,0,2]=4 87 B8R0.23 CC(C)C(N)CC(=O)O OR17575 [0,2,0,0,0,0|0,0,2]=4 88 B8R0.23 CC(C)[C@H](N)CC(=O)O OR17574 [0,2,0,0,0,0|0,0,2]=4 89 B8R0.23 CC(C)[C@H](N)CC(=O)O OR54508 [0,2,0,0,0,0|0,0,2]=4 90 B8R0.24 C=CC(=O)OC(C)(C)C OR61301 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.8 CN(C)C(=O)\C=C\CBr OR51889 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.8 CN(C)C(=O)\C=C\CCl OR51888 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.9 COC(=O)\C=C\C(=O)O OR59971 [0,2,0,0,0,0|1,0,1]=4 94 B8R0.9 COC(=O)\C=C\C(C)C OR6465 [0,2,0,0,0,0|0,0,0]=2 95 B8R0.14 CC(C)(C)C(Cl)=CC#N OR0146 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.29 CC(C)(C)CCC(=O)O OR318007 [0,2,0,0,0,0|0,0,2]=4 97 B8R0.29 CC(C)(C)OCC(=O)O OR0183 [0,2,0,0,0,0|1,0,1]=4 98 B8R0.29 CC(C)(C)\C=C\B(O)O OR4239 [0,2,0,0,0,0|1,0,1]=4 99 B6R1.2 CC1=CC=CN1 OR46081 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.2 CC1=CC=CS1 OR28832 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.2 CN1C=CC=C1 OR5110 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.2 NC1CC=CC1 OR301049 [1,0,0,1,0,0|1,0,1]=4 103 B6R1.3 O=C=NC1CC1 OR307001 [1,0,0,1,0,0|1,0,1]=4 104 B6R1.5 NC1CC(=O)C1 OR308095 [1,0,0,1,0,0|1,0,1]=4 105 B6R1.1 C1=CCCC=C1 OR42119 [1,0,0,1,0,0|1,0,0]=3 106 B6R1.1 C1=CCNCC1 OR9035 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.1 C1=COCCC1 OR183406 [1,0,0,1,0,0|0,0,2]=4 108 B6R1.6 O=CC1CCC1 OR313071 [1,0,0,1,0,0|0,0,2]=4 109 B8R1.1 CC1=CC(C=O)=NO1 OR9680 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.1 CC1=CC=C(C=O)O1 OR41166 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.1 CC1=CC=C(C=O)S1 OR5055 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.1 CC1=CN=C(C=O)S1 OR2494 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.1 CC1=CSC(C=O)=C1 OR12602 [0,1,0,1,0,0|0,0,2]=4 114 B8R1.1 CC1=CSC(C=O)=N1 OR2495 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.1 CC1=NC(C=O)=CN1 OR28795 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.1 CC1=NC(C=O)=CO1 OR17528 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.1 CC1=NC(C=O)=CS1 OR5201 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.1 CC1=NC=C(C=O)S1 OR15916 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.1 CC1=NOC(C=O)=C1 OR346321 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.1 CN1C=C(C=O)C=N1 OR12622 [0,1,0,1,0,0|1,0,1]=4 121 B8R1.1 CN1C=CC(C=O)=N1 OR30991 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.1 CN1C=NC(C=O)=C1 OR4398 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.1 O=C1CC(CO)CN1 OR300508 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.4 CC1CC(=O)CCO1 OR54543 [0,1,0,1,0,0|0,0,2]=4 125 B8R1.18 CN1CC(=O)NC1=O OR18274 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [0,1,0,1,0,0|0,0,2]=4 127 B8R1.51 CC1(C)CNC(=O)C1 OR315573 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.51 CC1(O)CNC(=O)C1 OR21816 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.2 OCC1CCC=CO1 OR6613 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.3 CC1=NNC(=O)C=C1 OR21483 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.3 CC1=NNC(=O)C=C1 OR52459 [0,1,0,1,0,0|1,0,1]=4 132 B8R1.3 CC1CCC(=O)CC1 OR5041 [0,1,0,1,0,0|0,0,2]=4 133 B8R1.5 CC1=CC=CN=C1C OR13595 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.7 CC(C)=C1C=CC=C1 OR52345 [0,1,0,1,0,0|1,0,1]=4 135 B8R1.7 CC(C)C1C=CC=C1 OR62075 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.7 CC(N)C1=CC=CO1 OR01656 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.7 CC(N)C1=CC=CS1 OR01764 [0,1,0,1,0,0|1,1,0]=4 138 B8R1.19 CC1(C)CONC1=O OR310131 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.35 O=C(O)CCC1CC1 OR313064 [0,1,0,1,0,0|0,0,2]=4 140 B8R1.77 CC1(C)CC1C(N)=O OR22745 [0,1,0,1,0,0|0,0,2]=4 141 B8R1.77 [C@H]1(C(N)=O)CC1(C)C OR9436 [0,1,0,1,0,0|0,0,2]=4 142 B8R2.38 O=C1CCC2CC12 OR70212 [0,0,0,2,0,0|0,0,2]=4