0 B4R0.2 BrCCC#N AC130357 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C=CCNN LN00005406 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.2 CNCC#N AC180278 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 CNCCN AC182659 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 CNCCO AC500171 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 ClCCCI AC511281 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 NCCC#N AC130167 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 OCCC#C AC180055 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 OCCC#N AC130358 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 OCCCBr AC500014 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.2 OCCCO AC510799 [0,0,0,0,0,0|2,0,2]=4 11 B3R0.1 CCC[CH2-] AC310111 [1,0,0,0,0,0|1,0,1]=3 12 B3R0.1 CNOC AC130092 [1,0,0,0,0,0|1,0,1]=3 13 B3R0.1 NCCBr AC500278 [1,0,0,0,0,0|2,0,1]=4 14 B3R0.1 NCCS HY-77591 [1,0,0,0,0,0|1,1,1]=4 15 B3R0.1 NCCS HY-77591A [1,0,0,0,0,0|1,1,1]=4 16 B3R0.1 OCCF AC500326 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CC(=O)CC#N AC511126 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(C)/C=N/O AC010411 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(N)CC#N AC120042 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(N)CCO AC511165 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.1 CCCB(O)O AC500236 [0,1,0,0,0,0|2,0,1]=4 22 B5R0.1 CCCC([O-])=O HY-B0350A [0,1,0,0,0,0|1,0,0]=2 23 B5R0.1 CCOC(C)=N AC510695 [0,1,0,0,0,0|1,0,0]=2 24 B5R0.1 CCOC(N)=O HY-B1207 [0,1,0,0,0,0|0,0,0]=1 25 B5R0.1 CCOC([S-])=S AC510653 [0,1,0,0,0,0|0,1,0]=2 26 B5R0.1 CN(C)NC=O AC021455 [0,1,0,0,0,0|2,0,0]=3 27 B5R0.1 CNCC(O)=O AC500168 [0,1,0,0,0,0|2,0,0]=3 28 B5R0.1 COCC(N)=N AC182354 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.1 C[C@@H](O)CCO AC500114 [0,1,0,0,0,0|1,0,2]=4 30 B5R0.1 C[C@H](N)CCO AC512035 [0,1,0,0,0,0|1,0,2]=4 31 B5R0.1 NCCC(N)=O AC510910 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.1 NCCS(O)=O HY-100803 [0,1,0,0,0,0|3,0,0]=4 33 B5R0.1 OC(=O)CC#C AC511130 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.1 OCC[N+]([O-])=O AC510890 [0,1,0,0,0,0|3,0,0]=4 35 B5R0.2 BrCCCC#N AC190285 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.2 BrCCCC=C AC500173 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.2 C#CCCCN LN00001154 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.2 C(CCI)CCl LN00199790 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.2 CCO\C=C\Br LN00003736 [0,1,0,0,0,0|1,0,0]=2 40 B5R0.2 CNCCCO AC510766 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.2 COCCNN LN00005546 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.2 ClCCCC#N AC130176 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.2 NCCCCBr AC511924 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.2 NCCCCO AC180225 [0,1,0,0,0,0|1,0,2]=4 45 B5R0.2 O=CNNC=O AC130272 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.2 OCCCC#N AC130359 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.2 OCCCCBr AC030135 [0,1,0,0,0,0|1,0,2]=4 48 B5R0.3 BrC(C=O)C=O AC181018 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.3 CCC(=N)NO AC050497 [0,1,0,0,0,0|2,0,1]=4 50 B5R1.1 C1CC=CO1 AC220197 [0,0,0,1,0,0|1,0,0]=2 51 B5R1.1 C1CSCN1 AC021375 [0,0,0,1,0,0|1,1,1]=4 52 B5R1.2 CC1CNC1 LN00002078 [0,0,0,1,0,0|3,0,0]=4 53 B5R1.2 O=C1CCC1 AC130256 [0,0,0,1,0,0|1,0,0]=2 54 B5R1.2 O=C1COC1 AC130304 [0,0,0,1,0,0|2,0,0]=3 55 B5R1.2 O=C1CSC1 AC010018 [0,0,0,1,0,0|2,0,0]=3 56 B5R1.3 C1CC1NN LN01252087 [0,0,0,1,0,0|3,0,0]=4 57 B5R1.3 N#CC1CC1 AC130285 [0,0,0,1,0,0|2,0,1]=4 58 B5R1.3 NCC1CC1 AC030129 [0,0,0,1,0,0|2,0,1]=4 59 B5R1.3 NNC1CC1 AC040018 [0,0,0,1,0,0|3,0,0]=4 60 B5R1.3 NNC1CC1 AC050915 [0,0,0,1,0,0|3,0,0]=4 61 B2R0.1 CC#N AC180295 [2,0,0,0,0,0|1,0,1]=4 62 B2R0.1 CCBr AC190165 [2,0,0,0,0,0|1,0,0]=3 63 B2R0.1 CNO AC500043 [2,0,0,0,0,0|1,0,0]=3 64 B2R0.1 CON AC131051 [2,0,0,0,0,0|1,0,0]=3 65 B2R0.1 NC=N AC510902 [2,0,0,0,0,0|2,0,0]=4 66 B2R0.1 [CH2-]C=C LN00238817 [2,0,0,0,0,0|0,0,2]=4 67 B4R0.1 CC(=C)CBr AC500207 [1,1,0,0,0,0|2,0,0]=4 68 B4R0.1 CC(=O)CN AC511171 [1,1,0,0,0,0|1,0,0]=3 69 B4R0.1 CC(=O)NN AC130308 [1,1,0,0,0,0|2,0,0]=4 70 B4R0.1 CC(=O)NO AC130286 [1,1,0,0,0,0|2,0,0]=4 71 B4R0.1 CC(=O)NO HY-B1235 [1,1,0,0,0,0|2,0,0]=4 72 B4R0.1 CC(C)NN AC130058 [1,1,0,0,0,0|2,0,0]=4 73 B4R0.1 CC(C)ON AC511892 [1,1,0,0,0,0|1,0,0]=3 74 B4R0.1 CC(N)CO AC510879 [1,1,0,0,0,0|0,0,2]=4 75 B4R0.1 CCB(O)O AC090161 [1,1,0,0,0,0|1,0,1]=4 76 B4R0.1 CCC(N)=N AC512090 [1,1,0,0,0,0|1,0,0]=3 77 B4R0.1 C[C@@H](O)CN AC180581 [1,1,0,0,0,0|1,0,1]=4 78 B4R0.1 C[C@H](N)CO AC511021 [1,1,0,0,0,0|0,0,2]=4 79 B4R0.1 NC(=N)CCl AC070120 [1,1,0,0,0,0|2,0,0]=4 80 B4R0.1 NC(=O)CBr AC500017 [1,1,0,0,0,0|1,0,0]=3 81 B4R0.1 NC(=O)NO HY-B0313 [1,1,0,0,0,0|2,0,0]=4 82 B4R0.1 NCC(N)=O AC511550 [1,1,0,0,0,0|1,0,0]=3 83 B4R0.1 NNC(N)=O AC131764 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.1 CCOC(=O)CI AC131813 [0,2,0,0,0,0|0,0,0]=2 85 B6R0.1 CCOC(=O)CO AC130521 [0,2,0,0,0,0|0,0,0]=2 86 B6R0.1 CCOC(=O)CS AC130132 [0,2,0,0,0,0|0,0,0]=2 87 B6R0.1 COC(=O)CCBr AC511067 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.1 COC(=O)CCN AC510724 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,2,0,0,0,0|1,0,0]=3 90 B6R0.2 CN(C)CC(O)=O AC130146 [0,2,0,0,0,0|2,0,0]=4 91 B6R0.2 CN(C)CC(O)=O AC130178 [0,2,0,0,0,0|2,0,0]=4 92 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,2,0,0,0,0|1,0,0]=3 93 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.3 CCC(C)C(O)=O AC180050 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.3 CCC(N)C(N)=O AC021619 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.3 CC[C@H](N)C(O)=O AC511519 [0,2,0,0,0,0|1,0,0]=3 98 B6R0.3 COC(C)C(O)=O AC511149 [0,2,0,0,0,0|2,0,0]=4 99 B6R0.3 CON(C)C(C)=O AC130053 [0,2,0,0,0,0|2,0,0]=4 100 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [0,2,0,0,0,0|2,0,0]=4 101 B6R0.3 NC[C@H](N)C(O)=O AC511517 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.3 N[C@H](CO)C(O)=O AC180073 [0,2,0,0,0,0|2,0,0]=4 103 B6R0.3 N[C@H](CS)C(O)=O AC180279 [0,2,0,0,0,0|2,0,0]=4 104 B6R0.3 OC(=O)C(=O)CBr HY-19992 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.4 CC(=O)CCCCl AC511746 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.4 CC(=O)OCCBr AC511000 [0,2,0,0,0,0|0,0,0]=2 107 B6R0.4 CC(C)OCCBr AC512105 [0,2,0,0,0,0|1,0,1]=4 108 B6R0.4 CCCOC(N)=O AC512151 [0,2,0,0,0,0|0,0,0]=2 109 B6R0.4 CN(C)/C=C/C=O AC021056 [0,2,0,0,0,0|1,0,1]=4 110 B6R0.4 COCCC(O)=O AC100057 [0,2,0,0,0,0|1,0,0]=3 111 B6R0.4 CSCCC(O)=O HY-101401 [0,2,0,0,0,0|1,0,0]=3 112 B6R0.4 OC(=O)CCC#C AC510868 [0,2,0,0,0,0|1,0,1]=4 113 B6R0.4 OC(=O)CCC#N AC512077 [0,2,0,0,0,0|1,0,1]=4 114 B6R0.4 OC(=O)CCC=C AC511045 [0,2,0,0,0,0|1,0,1]=4 115 B6R0.4 OC(=O)CCCBr AC511629 [0,2,0,0,0,0|1,0,0]=3 116 B6R0.4 [O-]C(=O)CCC#C HY-15286 [0,2,0,0,0,0|1,0,1]=4 117 B6R0.6 ClCCCCC=O AC511901 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.6 OCCCCC=O AC511239 [0,2,0,0,0,0|1,0,0]=3 119 B4R1.1 C1CNC1 AC510737 [1,0,0,1,0,0|1,0,1]=4 120 B4R1.1 C1CNC1 LN00174679 [1,0,0,1,0,0|1,0,1]=4 121 B4R1.2 NC1CC1 AC130048 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.2 BrC1CCOC1 AC190141 [0,1,0,1,0,0|1,0,1]=4 123 B6R1.2 C1COCC1I LN00003379 [0,1,0,1,0,0|1,0,1]=4 124 B6R1.2 C1COC[C@H]1O LN00007278 [0,1,0,1,0,0|0,0,2]=4 125 B6R1.2 C1CSCC1=O LN00009539 [0,1,0,1,0,0|0,1,0]=3 126 B6R1.2 CC1=CCCC1 AC220188 [0,1,0,1,0,0|2,0,0]=4 127 B6R1.2 ClC1CCOC1 AC220018 [0,1,0,1,0,0|1,0,1]=4 128 B6R1.2 IC1CCOC1 AC220019 [0,1,0,1,0,0|1,0,1]=4 129 B6R1.2 NC1=NCCC1 AC020022 [0,1,0,1,0,0|2,0,0]=4 130 B6R1.2 NC1CCOC1 AC220015 [0,1,0,1,0,0|1,0,1]=4 131 B6R1.2 O=C1CC=NN1 AC250038 [0,1,0,1,0,0|1,0,1]=4 132 B6R1.2 O=C1CCNC1 AC220156 [0,1,0,1,0,0|1,0,0]=3 133 B6R1.2 O=C1CCNC1 AC511910 [0,1,0,1,0,0|1,0,0]=3 134 B6R1.2 O=C1CCNN1 AC130160 [0,1,0,1,0,0|1,0,0]=3 135 B6R1.2 O=C1CCOC1 AC220014 [0,1,0,1,0,0|0,0,0]=2 136 B6R1.2 O=C1NCCO1 AC510795 [0,1,0,1,0,0|0,0,0]=2 137 B6R1.2 OC1CC=CC1 AC181108 [0,1,0,1,0,0|2,0,0]=4 138 B6R1.2 OC1CCOC1 AC021063 [0,1,0,1,0,0|0,0,2]=4 139 B6R1.2 O[C@@H]1CCOC1 AC180598 [0,1,0,1,0,0|0,0,2]=4 140 B6R1.2 O[C@H]1CCOC1 AC180577 [0,1,0,1,0,0|0,0,2]=4 141 B6R1.3 O=CNC1CC1 AC021249 [0,1,0,1,0,0|1,0,0]=3 142 B6R1.11 OC(=O)C1CC1 AC500051 [0,1,0,1,0,0|1,0,0]=3 143 B6R1.1 C1CC=CCO1 AC220033 [0,1,0,1,0,0|1,0,0]=3 144 B6R1.1 C1CC=CCS1 AC010335 [0,1,0,1,0,0|1,1,0]=4 145 B6R1.1 C1CCONC1 AC070036 [0,1,0,1,0,0|1,0,1]=4 146 B6R1.1 C1CCONC1 LN00001538 [0,1,0,1,0,0|1,0,1]=4 147 B6R1.1 C1COC=CC1 AC220191 [0,1,0,1,0,0|1,0,0]=3 148 B6R1.6 C1COC1CO LN00172179 [0,1,0,1,0,0|0,0,2]=4 149 B6R1.6 O=CC1CCC1 AC050499 [0,1,0,1,0,0|1,0,0]=3