0 B5R0.1 CC(=O)CC#N AC511126 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 CC(N)CC#N AC120042 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(N)CCO AC511165 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CCCB(O)O AC500236 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CCCC([O-])=O HY-B0350A [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CCOC(C)=N AC510695 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 CCOC(N)=O HY-B1207 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CCOC([S-])=S AC510653 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.1 CN(C)CCBr AC500092 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 CN(C)CCBr LN00009696 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 CNCC(O)=O AC500168 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 COCC(N)=N AC182354 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C[C@@H](O)CCO AC500114 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.1 C[C@H](N)CCO AC512035 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 NCCC(N)=O AC510910 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 NCCS(O)=O HY-100803 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 OC(=O)CC#C AC511130 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.1 OCC[N+]([O-])=O AC510890 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 C/C(N)=N/O AC511072 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 CC(=C)CBr AC500207 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 CC(=O)CN AC511171 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 CC(=O)NN AC130308 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CC(=O)NO AC130286 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(N)CO AC510879 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CCB(O)O AC090161 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CCC(N)=N AC512090 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CNN(C)C AC021456 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 C[C@@H](O)CN AC180581 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C[C@H](N)CO AC511021 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 NC(=N)CCl AC070120 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 NC(=O)CBr AC500017 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 NC(=O)NO HY-B0313 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 NCC(N)=O AC511550 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 NNC(N)=O AC131764 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.2 BrCCC#N AC130357 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 C=CCNN LN00005406 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 CNCC#N AC180278 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 CNCCN AC182659 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 CNCCO AC500171 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 ClCCCI AC511281 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 NCCC#N AC130167 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 OCCC#C AC180055 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 OCCC#N AC130358 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 OCCCBr AC500014 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 OCCCO AC510799 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.1 CCC(C)CNC AC010501 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 CCC(C)CNC AC010533 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CCCC(C)NC AC010486 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.1 CCCC(C)NC AC010524 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.1 CCC[C@H](N)CO AC020141 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.1 CCOC(=O)CI AC131813 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.1 CCOC(=O)CO AC130521 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.1 CCOC(=O)CS AC130132 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.1 COC(=O)CCBr AC511067 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.1 COC(=O)CCN AC510724 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.1 NNC(=O)CC#N AC130190 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 NNC(=O)CC#N HY-B0994 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.2 CC(C)CB(O)O AC090213 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.2 CC(C)CB(O)O LN00119640 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.2 CC(N)CN(C)C AC020477 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.2 CN(C)CC(O)=O AC130146 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.2 CN(C)CC(O)=O AC130178 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.2 NC(=N)CC(N)=O AC500311 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 CC(C)[C@@H](N)CO AC180576 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 CC(C)[C@H](N)CO AC510687 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 CCC(=O)N(C)C AC130337 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 CCC(C)C(O)=O AC180050 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.3 CCC(N)C(N)=O AC021619 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.3 CC[C@H](N)C(O)=O AC511519 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.3 CNC(C)C(C)C AC010479 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CNC(C)C(C)C AC010530 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 COC(C)C(O)=O AC511149 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.3 CON(C)C(C)=O AC130053 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.3 NC[C@H](N)C(O)=O AC511517 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.3 N[C@H](CO)C(O)=O AC180073 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.3 N[C@H](CS)C(O)=O AC180279 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.3 OC(=O)C(=O)CBr HY-19992 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.4 CC(=O)CCCCl AC511746 [0,1,0,0,0,0|0,0,0]=1 84 B6R0.4 CC(=O)OCCBr AC511000 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.4 CC(C)CCCO AC510897 [0,1,0,0,0,0|1,0,1]=3 86 B6R0.4 CC(C)OCCBr AC512105 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.4 CCCCB(O)O AC090160 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.4 CCCOC(N)=O AC512151 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.4 CN(C)CCCBr AC182623 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.4 CN(C)CCCCl AC500093 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.4 CN(C)CCCCl AC512046 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.4 CNCCC(C)C AC010487 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.4 CNCCC(C)C AC010537 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.4 COCCC(O)=O AC100057 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.4 CSCCC(O)=O HY-101401 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.4 OC(=O)CCC#C AC510868 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.4 OC(=O)CCC#N AC512077 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.4 OC(=O)CCC=C AC511045 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.4 OC(=O)CCCBr AC511629 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.4 [O-]C(=O)CCC#C HY-15286 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.5 CC(C)(C)CCBr AC020699 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.5 CNCC(C)(C)C AC010541 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.5 CNCC(C)(C)C AC010542 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.5 CS(=O)(=O)CCN AC181731 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.5 C[N+](C)(C)CCO HY-B1337 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.5 NCCS(O)(=O)=O HY-B0351 [0,1,0,0,0,0|3,0,0]=4 107 B6R1.2 BrC1CCOC1 AC190141 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.2 C1CNCC1F LN00001937 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.2 C1CNC[C@@H]1O LN00165601 [0,0,0,1,0,0|1,0,2]=4 110 B6R1.2 C1COCC1I LN00003379 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 C1COC[C@H]1O LN00007278 [0,0,0,1,0,0|1,0,2]=4 112 B6R1.2 C1CSCC1=O LN00009539 [0,0,0,1,0,0|1,0,0]=2 113 B6R1.2 CC1=CCCC1 AC220188 [0,0,0,1,0,0|1,0,0]=2 114 B6R1.2 CC1CCNC1 LN00002080 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 C[C@@H]1CCCN1 AC200009 [0,0,0,1,0,0|1,0,1]=3 116 B6R1.2 ClC1CCOC1 AC220018 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 F[C@@H]1CCNC1 AC511015 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.2 F[C@H]1CCNC1 AC511044 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 IC1CCOC1 AC220019 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 NC1=NCCC1 AC020022 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.2 NC1CCNC1 AC220157 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.2 NC1CCOC1 AC220015 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 NN1CCCC1 AC160502 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 O=C1CC=NN1 AC250038 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.2 O=C1CCNC1 AC220156 [0,0,0,1,0,0|1,0,0]=2 126 B6R1.2 O=C1CCNC1 AC511910 [0,0,0,1,0,0|1,0,0]=2 127 B6R1.2 O=C1CCNN1 AC130160 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.2 O=C1CCOC1 AC220014 [0,0,0,1,0,0|1,0,0]=2 129 B6R1.2 O=C1NCCO1 AC510795 [0,0,0,1,0,0|2,0,0]=3 130 B6R1.2 OC1CCCC1 AC190215 [0,0,0,1,0,0|0,0,2]=3 131 B6R1.2 OC1CCNC1 AC181524 [0,0,0,1,0,0|1,0,2]=4 132 B6R1.2 OC1CCOC1 AC021063 [0,0,0,1,0,0|1,0,2]=4 133 B6R1.2 O[C@@H]1CCOC1 AC180598 [0,0,0,1,0,0|1,0,2]=4 134 B6R1.2 O[C@H]1CCNC1 AC021101 [0,0,0,1,0,0|1,0,2]=4 135 B6R1.2 O[C@H]1CCNC1 AC510620 [0,0,0,1,0,0|1,0,2]=4 136 B6R1.2 O[C@H]1CCOC1 AC180577 [0,0,0,1,0,0|1,0,2]=4 137 B6R1.5 NC1CC(O)C1 AC182699 [0,0,0,1,0,0|1,0,2]=4 138 B6R1.5 OC1CC(F)C1 AC010459 [0,0,0,1,0,0|1,0,2]=4 139 B6R1.8 C[C@@H]1C[C@H]1CN LN00001858 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.8 C[C@H]1C[C@@H]1CO LN00004886 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.10 CC1(C)CNC1 AC182563 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.10 CC1(O)COC1 AC511231 [0,0,0,1,0,0|1,0,2]=4 143 B6R1.11 OB(O)C1CC1 AC010332 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.11 OC(=O)C1CC1 AC500051 [0,0,0,1,0,0|1,0,0]=2 145 B3R0.1 CCC[CH2-] AC310111 [2,0,0,0,0,0|0,0,1]=3 146 B3R0.1 CNOC AC130092 [2,0,0,0,0,0|2,0,0]=4 147 B3R0.1 NCCBr AC500278 [2,0,0,0,0,0|2,0,0]=4 148 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,1,0]=4 149 B3R0.1 NCCS HY-77591A [2,0,0,0,0,0|1,1,0]=4 150 B3R0.1 OCCF AC500326 [2,0,0,0,0,0|1,0,1]=4 151 B3R0.2 CC(=O)[O-] LN00194400 [2,0,0,0,0,0|1,0,0]=3 152 B3R0.2 CC(N)=S AC510891 [2,0,0,0,0,0|1,1,0]=4 153 B3R0.2 CC([O-])=O AC180064 [2,0,0,0,0,0|1,0,0]=3 154 B3R0.2 CC([O-])=O AC180277 [2,0,0,0,0,0|1,0,0]=3 155 B3R0.2 CC([O-])=O AC511050 [2,0,0,0,0,0|1,0,0]=3 156 B3R0.2 CN(C)C AC130299 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.2 CP(C)=O AC130246 [2,0,0,0,0,0|1,0,0]=3 158 B5R0.3 CCC(=N)NO AC050497 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.3 COC(=O)CO AC190202 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.3 OCC(=C)CO AC511178 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.4 CCS(N)(=O)=O AC181603 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.4 COS(C)(=O)=O AC511052 [1,1,0,0,0,0|2,0,0]=4 163 B5R0.4 CSS(C)(=O)=O AC280012 [1,1,0,0,0,0|2,0,0]=4 164 B5R0.5 CC(=O)C(O)=O AC500188 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.5 CC(C(=N)O)N LN00156053 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.2 BrCCCC#N AC190285 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.2 BrCCCC=C AC500173 [1,1,0,0,0,0|0,0,1]=3 168 B5R0.2 C#CCCCN LN00001154 [1,1,0,0,0,0|0,0,2]=4 169 B5R0.2 C(CCI)CCl LN00199790 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.2 CCO\C=C\Br LN00003736 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.2 CNCCCO AC510766 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.2 COCCNN LN00005546 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.2 ClCCCC#N AC130176 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.2 NCCCCBr AC511924 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.2 NCCCCO AC180225 [1,1,0,0,0,0|0,0,2]=4 176 B5R0.2 OCCCC#N AC130359 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.2 OCCCCBr AC030135 [1,1,0,0,0,0|0,0,2]=4 178 B7R0.2 CC(=CN(C)C)C=O LN02184528 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [0,2,0,0,0,0|1,0,0]=3 180 B7R0.2 CN(C)/C=C(\C)C=O AC020988 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.3 COC(=O)CCCBr AC511051 [0,2,0,0,0,0|0,0,0]=2 182 B7R0.3 COC(=O)CCCN AC510644 [0,2,0,0,0,0|0,0,0]=2 183 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [0,2,0,0,0,0|1,0,0]=3 184 B7R0.5 CCOC(=N)C(C)C AC200066 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.5 CCOC(=O)C(F)F AC510778 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.5 CCOC(=S)C(N)=O AC180611 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.5 COC[C@H](N)C(O)=O AC511991 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.5 NC(CCO)C(O)=O AC511583 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.5 NCCC(N)C(O)=O AC511576 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.5 N[C@@H](CC#C)C(O)=O AC030195 [0,2,0,0,0,0|1,0,1]=4 194 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.7 CCCC(O)COC AC010185 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.7 CCOC(=O)CCBr AC510407 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.7 CCOC(=O)CCI AC180478 [0,2,0,0,0,0|1,0,0]=3 198 B7R0.7 CCOC(=O)CNN AC180293 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.7 COCC(=O)COC AC512018 [0,2,0,0,0,0|1,0,0]=3 200 B7R0.7 ClCCC(=O)CCCl AC270026 [0,2,0,0,0,0|1,0,0]=3 201 B7R0.10 COC(=O)C(=C)CBr AC510213 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,2,0,0,0,0|1,0,0]=3 204 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.10 CON(C)C(=O)CCl AC130067 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.10 CON(C)C(=O)OC AC160921 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.9 CC(C)(C)CC(O)=O AC511458 [0,2,0,0,0,0|1,0,0]=3 208 B7R0.9 CC(C)(C)OC(N)=O AC130255 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.9 CC(C)(N)CC(O)=O AC182782 [0,2,0,0,0,0|1,0,0]=3 210 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,2,0,0,0,0|0,0,2]=4 211 B7R0.9 CS(=O)(=O)CC(O)=O AC511075 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.9 C[N+](C)(C)CC(O)=O HY-N0739 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.9 C[N+](C)(C)CC([O-])=O HY-B0710 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.16 CC(C)[C@@H](N)C(N)=O AC180985 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC180082 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC510903 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.16 C[C@H](O)[C@H](N)C(O)=O AC511642 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.13 CC(=O)C(C)(C)C#N LN01353121 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.13 CC(C)(CF)C(O)=O AC511979 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.13 CC(C)(CN)C(N)=O AC182049 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.13 CC[C@](C)(C(=O)O)N LN01366341 [0,2,0,0,0,0|1,0,0]=3 222 B7R0.13 CC[C@](C)(N)C(O)=O AC511314 [0,2,0,0,0,0|1,0,0]=3 223 B7R0.13 NCC(F)(F)C(O)=O AC050249 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.15 CCC(CC)C(O)=O AC190325 [0,2,0,0,0,0|1,0,0]=3 225 B7R0.4 CC(O)CNCCO AC021070 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.4 CCCCCC(C)N HY-B0952 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.4 COCCCC(O)=O AC100091 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.6 CC(=O)CCC(C)=O AC130061 [0,2,0,0,0,0|0,0,0]=2 229 B7R0.6 CC(C)NNC(C)=O AC021553 [0,2,0,0,0,0|1,0,0]=3 230 B7R0.6 CN(C)CCC(O)=O AC511515 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.8 NCCCS(O)(=O)=O HY-14602 [0,2,0,0,0,0|2,0,0]=4 232 B5R1.2 O=C1CCC1 AC130256 [1,0,0,1,0,0|0,0,0]=2 233 B5R1.2 O=C1COC1 AC130304 [1,0,0,1,0,0|1,0,0]=3 234 B5R1.2 O=C1CSC1 AC010018 [1,0,0,1,0,0|1,0,0]=3 235 B5R1.5 CC1(N)CC1 AC182620 [1,0,0,1,0,0|1,0,1]=4 236 B5R1.1 C1CC=CO1 AC220197 [1,0,0,1,0,0|0,0,2]=4 237 B5R1.1 C1CSCN1 AC021375 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.1 BrCC1CCCC1 AC511868 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.1 C1CC(CO)NC1 LN00004769 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.1 C1CCC(C1)C=O LN00189003 [0,1,0,1,0,0|0,0,1]=3 241 B7R1.1 C1C[C@H](CO)NC1 LN00008521 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.1 NCC1CCCC1 AC050593 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.1 NNC1CCCC1 AC050475 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.1 NNC1CCCC1 AC050611 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.1 O=CC1CCCC1 AC020554 [0,1,0,1,0,0|0,0,1]=3 246 B7R1.1 O=CC1CCOC1 AC220027 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.1 OCC1CCCC1 AC180018 [0,1,0,1,0,0|0,0,2]=4 248 B7R1.1 OCC1CCCN1 AC510796 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.1 OCC1CCCO1 AC190177 [0,1,0,1,0,0|0,0,2]=4 250 B7R1.1 OC[C@@H]1CCCN1 AC180094 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.1 OC[C@H]1CCCN1 AC190243 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.2 C1[C@H](COC1=O)N LN00239300 [0,1,0,1,0,0|1,0,0]=3 253 B7R1.2 CN1CCC(C1)O LN00004977 [0,1,0,1,0,0|0,0,2]=4 254 B7R1.2 CN1CCC(N)C1 AC182540 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.2 CN1CCC(O)C1 AC021691 [0,1,0,1,0,0|0,0,2]=4 256 B7R1.2 CN1CC[C@H](C1)O LN00170776 [0,1,0,1,0,0|0,0,2]=4 257 B7R1.2 CN1CC[C@H](O)C1 AC181714 [0,1,0,1,0,0|0,0,2]=4 258 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.2 O=C1CCC(=O)C1 AC170075 [0,1,0,1,0,0|0,0,1]=3 260 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.3 BrC1CCNCC1 AC511729 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.3 BrC1CCOCC1 AC182117 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.3 C1CSCCC1O LN00163913 [0,1,0,1,0,0|0,0,2]=4 264 B7R1.3 C=C1CCNCC1 AC050993 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.3 C=C1CCNCC1 AC220141 [0,1,0,1,0,0|1,0,0]=3 266 B7R1.3 C=C1CCOCC1 AC220043 [0,1,0,1,0,0|1,0,0]=3 267 B7R1.3 CC1=CCCCC1 AC220166 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.3 CC1=CCNCC1 AC250025 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.3 CC1=CCOCC1 AC220042 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.3 CC1CNCCO1 AC182283 [0,1,0,1,0,0|0,0,2]=4 271 B7R1.3 CC1CNCCO1 LN00002207 [0,1,0,1,0,0|0,0,2]=4 272 B7R1.3 CC1COCCN1 LN00001061 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.3 C[C@@H]1COCCN1 AC182578 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.3 C[C@H]1CNCCO1 LN00221210 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.3 C[C@H]1COCCN1 AC020353 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.3 C[C@H]1COCCN1 LN00009351 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.3 ClC1CCOCC1 AC220190 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.3 FC1CCCNC1 AC160531 [0,1,0,1,0,0|1,0,1]=4 280 B7R1.3 IC1CCOCC1 AC220044 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.3 NC1CCCNC1 AC180284 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.3 NC1CCNCC1 AC220142 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.3 NC1CCOCC1 AC180691 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.3 NC1CCOCC1 AC220011 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.3 NC1CCSCC1 AC040153 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.3 NN1CCCCC1 AC160501 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.3 NN1CCCCC1 AC510696 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.3 NN1CCOCC1 AC130024 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.3 N[C@@H]1CCCNC1 AC020138 [0,1,0,1,0,0|1,0,1]=4 290 B7R1.3 O=C1CCCOC1 AC220056 [0,1,0,1,0,0|0,0,0]=2 291 B7R1.3 O=C1CCOCC1 AC180169 [0,1,0,1,0,0|0,0,0]=2 292 B7R1.3 O=C1CCSCC1 AC180170 [0,1,0,1,0,0|0,0,0]=2 293 B7R1.3 O=C1CNCCN1 AC181220 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.3 O=C1COCCN1 AC130162 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.3 OC1CCCNC1 AC180283 [0,1,0,1,0,0|0,0,2]=4 296 B7R1.3 OC1CCCOC1 AC220041 [0,1,0,1,0,0|0,0,2]=4 297 B7R1.3 OC1CCNCC1 AC180401 [0,1,0,1,0,0|0,0,2]=4 298 B7R1.3 OC1CCNCC1 AC220140 [0,1,0,1,0,0|0,0,2]=4 299 B7R1.3 OC1CCOCC1 AC220010 [0,1,0,1,0,0|0,0,2]=4 300 B7R1.3 OC1CCSCC1 AC010334 [0,1,0,1,0,0|0,0,2]=4 301 B7R1.3 O[C@@H]1CCCNC1 AC511587 [0,1,0,1,0,0|0,0,2]=4 302 B7R1.3 O[C@H]1CCCNC1 AC181658 [0,1,0,1,0,0|0,0,2]=4 303 B7R1.4 BrC1CCOC1=O AC130063 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.4 C1C[C@@H]([C@H](C1)O)N LN00008578 [0,1,0,1,0,0|0,0,2]=4 305 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [0,1,0,1,0,0|0,0,2]=4 306 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [0,1,0,1,0,0|0,0,2]=4 307 B7R1.4 NN1CCCC1=O AC050447 [0,1,0,1,0,0|1,0,0]=3 308 B7R1.4 N[C@@H]1CCC[C@@H]1O AC182344 [0,1,0,1,0,0|0,0,2]=4 309 B7R1.4 N[C@@H]1CCOC1=O AC511454 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.4 N[C@H]1CCC[C@@H]1O AC190304 [0,1,0,1,0,0|0,0,2]=4 312 B7R1.4 N[C@H]1CCC[C@H]1O AC182114 [0,1,0,1,0,0|0,0,2]=4 313 B7R1.4 N[C@H]1CCOC1=O AC511602 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,1,0,0|1,0,0]=3 315 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.4 O[C@H]1CCNC1=O AC182048 [0,1,0,1,0,0|1,0,0]=3 317 B7R1.10 O=C1CC(C1)C#N AC200074 [0,1,0,1,0,0|0,0,1]=3 318 B7R1.22 COC(=O)[C@H]1CO1 AC070001 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.22 NNC(=O)C1CC1 AC010237 [0,1,0,1,0,0|1,0,0]=3 320 B7R1.12 C1C(C1F)C(=O)O LN00218531 [0,1,0,1,0,0|1,0,0]=3 321 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [0,1,0,1,0,0|1,0,0]=3 322 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [0,1,0,1,0,0|1,0,0]=3 323 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [0,1,0,1,0,0|1,0,0]=3 324 B7R1.16 NC1CS(=O)(=O)C1 AC050691 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.18 CN(C)C1CNC1 AC182419 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.18 NC(=O)C1CCC1 AC180388 [0,1,0,1,0,0|1,0,0]=3 327 B7R1.18 NC(=O)C1CNC1 AC070069 [0,1,0,1,0,0|1,0,0]=3 328 B7R1.18 OC(=O)C1CCC1 AC131374 [0,1,0,1,0,0|1,0,0]=3 329 B7R1.18 OC(=O)C1CCN1 AC180596 [0,1,0,1,0,0|1,0,0]=3 330 B7R1.18 OC(=O)C1COC1 AC511276 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.19 C1CC1(C(=O)O)F LN00005524 [0,1,0,1,0,0|1,0,0]=3 332 B7R1.19 CC(=O)C1(C)CC1 AC010379 [0,1,0,1,0,0|0,0,0]=2 333 B7R1.19 CC(N)C1(C)CC1 AC010387 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.19 CC1(CC1)C(O)=O AC010377 [0,1,0,1,0,0|1,0,0]=3 335 B7R1.19 NC1(CC1)C(O)=O AC020571 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.19 OC(=O)C1(F)CC1 AC130346 [0,1,0,1,0,0|1,0,0]=3 337 B7R1.14 CC1(O)CCNC1 AC160608 [0,1,0,1,0,0|0,0,2]=4 338 B7R1.14 O=S1(=O)CCCN1 AC130245 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.26 ClS(=O)(=O)C1CC1 AC181266 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.26 NS(=O)(=O)C1CC1 AC182345 [0,1,0,1,0,0|2,0,0]=4 341 B7R2.5 NC12CC(C1)C2 AC040195 [0,0,0,2,0,0|1,0,1]=4