0 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.5 CCOC(=N)C(C)C AC200066 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 CCOC(=O)C(F)F AC510778 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CCOC(=S)C(N)=O AC180611 [0,0,0,0,0,0|2,1,0]=3 4 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 COC[C@H](N)C(O)=O AC511991 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 NC(CCO)C(O)=O AC511583 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.5 NCCC(N)C(O)=O AC511576 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CCCC(C)NC AC010486 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCCC(C)NC AC010524 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCOC(=O)CI AC131813 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCOC(=O)CO AC130521 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 CCOC(=O)CS AC130132 [1,0,0,0,0,0|1,1,1]=4 16 B6R0.1 COC(=O)CCBr AC511067 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 COC(=O)CCN AC510724 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.3 CCC(=O)N(C)C AC130337 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.3 CCC(C)C(O)=O AC180050 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.3 CCC(N)C(N)=O AC021619 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.3 CC[C@H](N)C(O)=O AC511519 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 CN(C)C(=O)CBr AC511120 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 CN(C)C(=O)CN AC190042 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.3 COC(=O)C(C)C AC130130 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 COC(=O)[C@@H](C)N AC511504 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.3 COC(=O)[C@H](C)N AC500273 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.3 CON(C)C(C)=O AC130053 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.3 OC(=O)C(=O)CBr HY-19992 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CC(=O)CCCCl AC511746 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.4 CC(=O)OCCBr AC511000 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 CCCOC(N)=O AC512151 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 COCCC(O)=O AC100057 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 CSCCC(O)=O HY-101401 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 OC(=O)CCCBr AC511629 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.2 CCC(C)C(N)C(O)=O AC510945 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.3 CCCC(Br)C(=O)OC AC020863 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.3 CCC[C@@H](N)C(=O)OC AC020453 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.3 CCOC(=O)C(/Cl)=N/O AC180247 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.3 CCOC(=O)C(=C)CBr AC511560 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.3 CCOC(=O)C(=O)CBr AC131178 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.3 CCOC(=O)C(C)C#N AC180304 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.3 CCOC(=O)[C@@H](N)CO AC511631 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.3 COC(=O)C(Br)CCBr AC130072 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.8 C[Se]CCC(N)C(O)=O HY-B1000 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.8 C[Se]CC[C@H](N)C(O)=O HY-B1000A [0,1,0,0,0,0|2,0,1]=4 47 B8R0.8 NCCC[C@H](N)C(O)=O HY-B1352 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.14 CCOC(=O)C(C)(F)F AC220004 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.23 CC(C)C[C@@H](N)C(O)=O AC180566 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.5 CC1CNCCC1=O AC050554 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.5 CC1CNCCC1=O AC050590 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.5 CC1CNCCC1=O LN00001086 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.5 CC1COCCC1=O AC182732 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.5 CN1CCNCC1=O AC180697 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.5 N[C@H]1CCCNC1=O AC182393 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.5 O=C1CCCCC1=O AC500073 [0,0,0,1,0,0|0,0,0]=1 57 B8R1.7 CC(=O)C1=NCCS1 AC180880 [0,0,0,1,0,0|1,1,0]=3 58 B8R1.7 CC(=O)C1CCCC1 AC512080 [0,0,0,1,0,0|1,0,1]=3 59 B8R1.7 CC(=O)C1CCOC1 AC220028 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.7 NC(=O)[C@@H]1CCCN1 AC180093 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.7 OC(=O)C1=CCCC1 AC120012 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.7 OC(=O)C1CCCC1 AC180019 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.7 OC(=O)C1CCCC1 AC500306 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.7 OC(=O)C1CCCO1 AC511285 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.7 OC(=O)C1CCCS1 AC040081 [0,0,0,1,0,0|1,1,1]=4 66 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.78 CC1(CCC1)C(O)=O AC511926 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.78 NC1(CCC1)C(O)=O AC020496 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.78 NC1(CCC1)C(O)=O AC050465 [0,0,0,1,0,0|2,0,1]=4 70 B8R0.5 CCOC(=O)CC(N)=N AC182051 [0,0,0,0,0,1|3,0,0]=4 71 B8R0.5 CCOC(=O)CC(N)=O AC180464 [0,0,0,0,0,1|2,0,0]=3 72 B8R0.5 CCOC(=O)CC([O-])=O AC130069 [0,0,0,0,0,1|2,0,0]=3 73 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [0,0,0,0,0,1|1,0,2]=4 74 B5R0.1 CC(=O)CC#N AC511126 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.1 CCCC([O-])=O HY-B0350A [2,0,0,0,0,0|0,0,1]=3 76 B5R0.1 CCOC(C)=N AC510695 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 CNCC(O)=O AC500168 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.1 NCCC(N)=O AC510910 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.2 CCO\C=C\Br LN00003736 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.3 COC(=O)CO AC190202 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.5 CC(=O)C(O)=O AC500188 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.3 COC(=O)CCCBr AC511051 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.3 COC(=O)CCCN AC510644 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.7 CCOC(=O)CCBr AC510407 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.7 CCOC(=O)CCI AC180478 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.7 COCC(=O)COC AC512018 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.7 ClCCC(=O)CCCl AC270026 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.4 COCCCC(O)=O AC100091 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.6 CC(=O)CCC(C)=O AC130061 [1,1,0,0,0,0|0,0,2]=4 94 B7R0.6 CC(C)NNC(C)=O AC021553 [1,1,0,0,0,0|2,0,0]=4 95 B9R0.6 CCOC(=O)C(C)C(=O)C LN00008899 [0,1,0,0,0,1|1,0,0]=3 96 B9R0.6 CCOC(=O)C(C)C(C)=O AC511841 [0,1,0,0,0,1|1,0,0]=3 97 B9R0.6 CCOC(=O)C(Cl)C(C)=O AC510869 [0,1,0,0,0,1|1,0,0]=3 98 B9R0.34 CCOC(=O)CC(=O)CBr AC130161 [0,1,0,0,0,1|1,0,0]=3 99 B9R0.34 CCOC(=O)CC(=O)CC AC511712 [0,1,0,0,0,1|1,0,0]=3 100 B9R0.34 CCOC(=O)CC(=O)CCl AC130329 [0,1,0,0,0,1|1,0,0]=3 101 B9R0.34 CCOC(=O)CC(=O)NN AC200033 [0,1,0,0,0,1|2,0,0]=4 102 B9R0.8 CCCCC(Br)C(=O)OC AC021420 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.47 CC(=C)C(=O)NCCCN AC180639 [0,2,0,0,0,0|1,0,0]=3 104 B7R1.1 C1CCC(C1)C=O LN00189003 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.1 O=CC1CCCC1 AC020554 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.2 C1[C@H](COC1=O)N LN00239300 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 CC1=CCCCC1 AC220166 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.3 CC1=CCNCC1 AC250025 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 CC1=CCOCC1 AC220042 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.3 O=C1CCCOC1 AC220056 [1,0,0,1,0,0|0,0,2]=4 113 B7R1.3 O=C1CCOCC1 AC180169 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.3 O=C1CCSCC1 AC180170 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.3 O=C1CNCCN1 AC181220 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 O=C1COCCN1 AC130162 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.4 NN1CCCC1=O AC050447 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.22 COC(=O)[C@H]1CO1 AC070001 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.22 NNC(=O)C1CC1 AC010237 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.19 CC(=O)C1(C)CC1 AC010379 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.13 CC(=O)NC1CCCC1 AC050483 [0,0,0,1,0,1|1,0,1]=4 122 B9R1.48 O=C1CCCCC(=O)C1 AC181368 [0,0,0,1,0,1|0,0,0]=2 123 B9R1.45 CC1CN1C(=O)N(C)C AC200096 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.5 CC1CCNCCC1=O LN00001918 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.5 NC1CCCCNC1=O AC021266 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.5 NC1CCCCNC1=O AC180582 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.5 N[C@@H]1CCCCNC1=O AC180246 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.5 N[C@H]1CCCCNC1=O AC180583 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.11 COC(=O)C1=CCCC1 AC180978 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.11 COC(=O)C1CCCN1 AC511091 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.11 COC(=O)[C@H]1CCCN1 AC021038 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.69 CC1CN(C)CCC1=O AC021166 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.6 CC(=O)C1CCCCC1 AC510963 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.6 CC(=O)C1CCOCC1 AC220050 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.6 CC(=O)N1CCNCC1 AC500200 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.6 OC(=O)C1=CCCCO1 AC170089 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.6 OC(=O)C1=CCNCC1 HY-100810 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.6 OC(=O)C1=COCCC1 AC170013 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.40 CC1(C)CCCCC1=O AC120013 [0,1,0,1,0,0|1,0,1]=4 140 B9R0.48 CCOC(=O)CCC(C)=O AC510825 [0,0,0,0,0,2|1,0,0]=3