0 B6R0.3 CC(C)[C@@H](N)CO AC180576 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 CC(C)[C@H](N)CO AC510687 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CCC(C)C(O)=O AC180050 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 CCC(N)C(N)=O AC021619 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.3 CC[C@H](N)C(O)=O AC511519 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.3 COC(C)C(O)=O AC511149 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 NC[C@H](N)C(O)=O AC511517 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 N[C@H](CO)C(O)=O AC180073 [0,0,0,0,0,0|0,0,0]=0 10 B6R0.3 N[C@H](CS)C(O)=O AC180279 [0,0,0,0,0,0|0,1,0]=1 11 B6R0.3 OC(=O)C(=O)CBr HY-19992 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(=O)CC#N AC511126 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CC(N)CCO AC511165 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CCCB(O)O AC500236 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CCCC([O-])=O HY-B0350A [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CNCC(O)=O AC500168 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 C[C@@H](O)CCO AC500114 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 C[C@H](N)CCO AC512035 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 NCCC(N)=O AC510910 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 NCCS(O)=O HY-100803 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 OC(=O)CC#C AC511130 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 OCC[N+]([O-])=O AC510890 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.3 BrC(C=O)C=O AC181018 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.3 NC(CO)CO AC500076 [1,0,0,0,0,0|0,0,1]=2 26 B5R0.3 NCC(O)CO AC180224 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 NC[C@@H](O)CO AC181109 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 OCC(=C)CO AC511178 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.3 OCC(O)CO HY-B1659 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.3 OC[C@@H](O)CCl AC510842 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.5 CC(=O)C(O)=O AC500188 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.5 CC(C(=N)O)N LN00156053 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.5 CC(C)B(O)O AC190241 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.5 OC(=O)C(F)=C AC511915 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [0,1,0,0,0,0|0,0,0]=1 37 B7R0.5 COC[C@H](N)C(O)=O AC511991 [0,1,0,0,0,0|0,0,0]=1 38 B7R0.5 NC(CCO)C(O)=O AC511583 [0,1,0,0,0,0|0,0,0]=1 39 B7R0.5 NCCC(N)C(O)=O AC511576 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.5 N[C@@H](CC#C)C(O)=O AC030195 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [0,1,0,0,0,0|0,0,0]=1 44 B7R0.10 COC(=O)C(=C)CBr AC510213 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [0,1,0,0,0,0|0,0,0]=1 46 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,0,0,0,0|0,1,0]=2 47 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.13 CC(C)(C=C)C(O)=O AC120018 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.13 CC(C)(CF)C(O)=O AC511979 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.13 CC(C)(CN)C(N)=O AC182049 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.13 CC[C@](C)(C(=O)O)N LN01366341 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.13 CC[C@](C)(N)C(O)=O AC511314 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.13 NCC(F)(F)C(O)=O AC050249 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.14 CC(C)(C)[C@@H](CO)N LN00225874 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.15 CCC(CC)C(O)=O AC190325 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.16 CC(C)[C@@H](N)C(N)=O AC180985 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC180082 [0,1,0,0,0,0|0,0,0]=1 58 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC510903 [0,1,0,0,0,0|0,0,0]=1 59 B7R0.16 C[C@H](O)[C@H](N)C(O)=O AC511642 [0,1,0,0,0,0|0,0,0]=1 60 B7R0.16 NC(C(N)=O)C(N)=O AC180316 [0,1,0,0,0,0|1,0,2]=4 61 B7R1.4 BrC1CCOC1=O AC130063 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.4 C1C[C@@H]([C@H](C1)O)N LN00008578 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.4 C1[C@@H](C(=NO1)O)N LN01377957 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.4 C[C@H]1COC[C@@H]1O LN00003883 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.4 NN1CCCC1=O AC050447 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.4 N[C@@H]1CCC[C@@H]1O AC182344 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.4 N[C@@H]1CCOC1=O AC511454 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.4 N[C@H]1CCC[C@@H]1O AC190304 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.4 N[C@H]1CCC[C@H]1O AC182114 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.4 N[C@H]1CCOC1=O AC511602 [0,0,0,1,0,0|1,0,0]=2 72 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|1,1,0]=3 73 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.4 O[C@H]1CCNC1=O AC182048 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.12 C1C(C1F)C(=O)O LN00218531 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.18 NC(=O)C1CCC1 AC180388 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.18 NC(=O)C1CNC1 AC070069 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.18 OC(=O)C1CCC1 AC131374 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.18 OC(=O)C1CCN1 AC180596 [0,0,0,1,0,0|1,0,0]=2 83 B7R1.18 OC(=O)C1COC1 AC511276 [0,0,0,1,0,0|1,0,0]=2 84 B7R1.19 C1CC1(C(=O)O)F LN00005524 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.19 CC(=O)C1(C)CC1 AC010379 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.19 CC1(CC1)C(O)=O AC010377 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.19 NC1(CC1)C(O)=O AC020571 [0,0,0,1,0,0|1,0,0]=2 88 B7R1.19 OC(=O)C1(F)CC1 AC130346 [0,0,0,1,0,0|2,0,0]=3 89 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [0,0,0,0,0,1|2,0,0]=3 90 B4R0.1 C/C(N)=N/O AC511072 [2,0,0,0,0,0|1,0,1]=4 91 B4R0.1 CC(=O)CN AC511171 [2,0,0,0,0,0|1,0,0]=3 92 B4R0.1 CC(=O)NN AC130308 [2,0,0,0,0,0|2,0,0]=4 93 B4R0.1 CC(=O)NO AC130286 [2,0,0,0,0,0|2,0,0]=4 94 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.1 CC(N)CO AC510879 [2,0,0,0,0,0|0,0,1]=3 96 B4R0.1 CCB(O)O AC090161 [2,0,0,0,0,0|1,0,1]=4 97 B4R0.1 CCC(N)=N AC512090 [2,0,0,0,0,0|2,0,0]=4 98 B4R0.1 C[C@@H](O)CN AC180581 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.1 C[C@H](N)CO AC511021 [2,0,0,0,0,0|0,0,1]=3 100 B4R0.1 NC(=O)CBr AC500017 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.1 NC(=O)NO HY-B0313 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.1 NCC(N)=O AC511550 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.1 NNC(N)=O AC131764 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.2 CNCCO AC500171 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.2 OCCC#C AC180055 [2,0,0,0,0,0|1,0,1]=4 106 B4R0.2 OCCC#N AC130358 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.2 OCCCBr AC500014 [2,0,0,0,0,0|1,0,1]=4 108 B4R0.2 OCCCO AC510799 [2,0,0,0,0,0|0,0,1]=3 109 B6R0.1 CCOC(=O)CO AC130521 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.1 COC(=O)CCBr AC511067 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.1 COC(=O)CCN AC510724 [1,1,0,0,0,0|1,0,0]=3 112 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.2 CN(C)CC(O)=O AC130146 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.2 CN(C)CC(O)=O AC130178 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [1,1,0,0,0,0|1,0,0]=3 116 B6R0.2 C[C@H](N)CC(O)=O AC130275 [1,1,0,0,0,0|1,0,0]=3 117 B6R0.4 CC(=O)CCCCl AC511746 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.4 CC(=O)OCCBr AC511000 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.4 CCCOC(N)=O AC512151 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.4 COCCC(O)=O AC100057 [1,1,0,0,0,0|0,0,0]=2 121 B6R0.4 CSCCC(O)=O HY-101401 [1,1,0,0,0,0|0,1,0]=3 122 B6R0.4 OC(=O)CCC#C AC510868 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.4 OC(=O)CCC#N AC512077 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.4 OC(=O)CCC=C AC511045 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.4 OC(=O)CCCBr AC511629 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.4 [O-]C(=O)CCC#C HY-15286 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.5 NCCS(O)(=O)=O HY-B0351 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.7 CC(C)(Br)C(N)=O AC511105 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.7 CC(C)(Br)C(O)=O AC130551 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.7 CC(C)(C)C(O)=O AC190056 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.7 CC(C)(N)C(O)=O AC510892 [1,1,0,0,0,0|0,0,0]=2 132 B6R0.7 CC(Cl)(Cl)C(O)=O AC130054 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.7 CC(F)(F)C(O)=O AC220123 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.7 OC(=O)C(F)(F)Cl AC130068 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.2 CCC(C)C(N)C(O)=O AC510945 [0,1,0,0,0,1|2,0,0]=4 136 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01359931 [0,1,0,0,0,1|1,0,0]=3 137 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01364924 [0,1,0,0,0,1|1,0,0]=3 138 B8R0.23 CC(C)[C@H](CC(=O)O)N LN00009939 [0,1,0,0,0,1|1,0,0]=3 139 B8R0.23 CC(C)[C@H](CC(=O)O)N LN01366567 [0,1,0,0,0,1|1,0,0]=3 140 B8R0.23 C[C@@H](CC(=O)O)C(=O)O LN01743142 [0,1,0,0,0,1|1,0,1]=4 141 B8R0.23 O[C@H](CC(O)=O)C(O)=O AC180071 [0,1,0,0,0,1|1,0,1]=4 142 B8R0.3 CCCC(Br)C(=O)OC AC020863 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.3 CCC[C@@H](N)C(=O)OC AC020453 [0,2,0,0,0,0|1,0,0]=3 144 B8R0.3 CCOC(=O)[C@@H](N)CO AC511631 [0,2,0,0,0,0|0,0,0]=2 145 B8R0.3 COC(=O)C(Br)CCBr AC130072 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.8 C[Se]CCC(N)C(O)=O HY-B1000 [0,2,0,0,0,0|0,1,0]=3 147 B8R0.8 C[Se]CC[C@H](N)C(O)=O HY-B1000A [0,2,0,0,0,0|0,1,0]=3 148 B8R0.8 NCCC[C@H](N)C(O)=O HY-B1352 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.37 CC(C)[C@@](C)(C(=O)O)N LN01299773 [0,2,0,0,0,0|1,0,0]=3 150 B8R0.27 CC(C)(C)C(N)C(O)=O AC180589 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O AC180072 [0,2,0,0,0,0|1,0,0]=3 152 B8R0.27 CC(C)(C)[C@H](N)C(O)=O AC180575 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.27 CC(C)(S)[C@@H](N)C(O)=O HY-B0300 [0,2,0,0,0,0|0,1,0]=3 154 B8R0.27 CC(C)([C@@H](C(=O)O)N)O LN00336715 [0,2,0,0,0,0|0,0,0]=2 155 B8R0.27 CC(C)([C@H](C(=O)O)N)O LN00336018 [0,2,0,0,0,0|0,0,0]=2 156 B6R1.2 C1COC[C@H]1O LN00007278 [1,0,0,1,0,0|1,0,1]=4 157 B6R1.2 C1CSCC1=O LN00009539 [1,0,0,1,0,0|1,1,0]=4 158 B6R1.2 O=C1CCNC1 AC220156 [1,0,0,1,0,0|2,0,0]=4 159 B6R1.2 O=C1CCNC1 AC511910 [1,0,0,1,0,0|2,0,0]=4 160 B6R1.2 O=C1CCNN1 AC130160 [1,0,0,1,0,0|2,0,0]=4 161 B6R1.2 O=C1CCOC1 AC220014 [1,0,0,1,0,0|1,0,0]=3 162 B6R1.2 O=C1NCCO1 AC510795 [1,0,0,1,0,0|2,0,0]=4 163 B6R1.2 OC1CCOC1 AC021063 [1,0,0,1,0,0|1,0,1]=4 164 B6R1.2 O[C@@H]1CCOC1 AC180598 [1,0,0,1,0,0|1,0,1]=4 165 B6R1.2 O[C@H]1CCOC1 AC180577 [1,0,0,1,0,0|1,0,1]=4 166 B6R1.11 OC(=O)C1CC1 AC500051 [1,0,0,1,0,0|1,0,0]=3 167 B6R1.6 O=CC1CCC1 AC050499 [1,0,0,1,0,0|2,0,0]=4 168 B6R1.6 OCC1COC1 AC511184 [1,0,0,1,0,0|1,0,1]=4 169 B6R1.7 NC1(CO)CC1 AC050247 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.1 OCC1CCC(=O)N1 AC160496 [0,0,0,1,0,1|2,0,0]=4 171 B8R1.1 OC[C@@H]1CCC(=O)N1 AC020686 [0,0,0,1,0,1|2,0,0]=4 172 B8R1.1 OC[C@@H]1CCC(=O)O1 AC180593 [0,0,0,1,0,1|2,0,0]=4 173 B8R1.1 OC[C@H]1CCC(=O)N1 AC170007 [0,0,0,1,0,1|2,0,0]=4 174 B8R1.34 OC(=O)CC1CCC1 AC050613 [0,0,0,1,0,1|2,0,0]=4 175 B8R1.5 CC1COCCC1=O AC182732 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.5 N[C@H]1CCCNC1=O AC182393 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.7 CC(=O)C1CCOC1 AC220028 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.7 NC(=O)[C@@H]1CCCN1 AC180093 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.7 OC(=O)C1CC=CC1 AC180693 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.7 OC(=O)C1CCCC1 AC180019 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.7 OC(=O)C1CCCC1 AC500306 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.7 OC(=O)C1CCCO1 AC511285 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.7 OC(=O)C1CCCS1 AC040081 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.7 OC(=O)C1CCOC1 AC190250 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.7 OC(=O)C1CSSC1 AC020754 [0,1,0,1,0,0|1,1,0]=4 186 B8R1.7 OC(=O)C1CSSC1 HY-50730 [0,1,0,1,0,0|1,1,0]=4 187 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [0,1,0,1,0,0|2,0,0]=4 188 B8R1.7 OC(=O)[C@@H]1CCNC1 AC182243 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.7 OC(=O)[C@H]1CCNC1 AC182027 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.23 CN1CC(C1)C(O)=O AC190103 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.23 OC(=O)C1CC(=C)C1 AC021200 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.23 OC(=O)C1CC(=O)C1 AC130079 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.78 CC1(CCC1)C(O)=O AC511926 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.78 CC1(COC1)C(O)=O AC511641 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.78 NC1(CCC1)C(O)=O AC020496 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.78 NC1(CCC1)C(O)=O AC050465 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.38 COC(=O)C1CNC1 AC181339 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.39 COC(=O)C1(Br)CC1 AC130029 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.63 OC(=O)C1(CBr)CC1 AC050752 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.63 OC(=O)C1(CC1)C#N AC100064 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.77 OC(=O)C1CC1(F)F AC040002 [0,1,0,1,0,0|2,0,0]=4 202 B8R0.9 NC(CCC(O)=O)C=C HY-15399 [0,0,0,0,0,2|1,0,1]=4 203 B8R0.9 NC(CCC(O)=O)C=C HY-B0033 [0,0,0,0,0,2|1,0,1]=4