0 B7R0.3 COC(=O)CCCBr AC511051 [1,0,0,0,0,0|1,0,0]=2 1 B7R0.3 COC(=O)CCCN AC510644 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 COCCCC(O)=O AC100091 [1,0,0,0,0,0|0,1,0]=2 4 B9R0.5 CCOC(=O)CCCCBr AC511147 [0,1,0,0,0,0|2,0,0]=3 5 B9R0.5 CCOC(=O)COCCCl AC512070 [0,1,0,0,0,0|3,0,0]=4 6 B9R0.8 CCCCC(Br)C(=O)OC AC021420 [0,1,0,0,0,0|1,0,0]=2 7 B9R0.46 COC(=O)CCCCCN AC511582 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.1 COC1CCC(=O)CC1 AC511834 [0,0,0,1,0,0|1,1,0]=3 9 B9R1.1 O=C1CCC(CC1)C#N AC050515 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.5 CC1CCNCCC1=O LN00001918 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.11 COC(=O)C1=CCCC1 AC180978 [0,0,0,1,0,0|1,0,2]=4 12 B9R1.11 COC(=O)C1CC=CC1 AC181768 [0,0,0,1,0,0|1,0,1]=3 13 B9R1.11 COC(=O)C1CCCN1 AC511091 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.11 COC(=O)C1CCNC1 AC170011 [0,0,0,1,0,0|1,0,0]=2 15 B9R1.11 COC(=O)C1CCOC1 AC220026 [0,0,0,1,0,0|0,1,0]=2 16 B9R1.11 COC(=O)[C@@H]1CCNC1 AC020253 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.11 COC(=O)[C@H]1CCCN1 AC021038 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.49 CN1CCCC(=O)CC1 AC182168 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.49 CN1CCNC(=O)CC1 AC182365 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.50 O=C1CCCCCCC1 AC510797 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.132 CN1C(CO)CCC1=O AC160593 [0,0,0,1,0,0|3,0,0]=4 22 B6R0.6 ClCCCCC=O AC511901 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.6 OCCCCC=O AC511239 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.1 COC(=O)CCBr AC511067 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.1 COC(=O)CCN AC510724 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 CC(=O)CCCCl AC511746 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 CC(=O)OCCBr AC511000 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 CCCCB(O)O AC090160 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CCCOC(N)=O AC512151 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 COCCC(O)=O AC100057 [2,0,0,0,0,0|0,1,0]=3 31 B6R0.4 CSCCC(O)=O HY-101401 [2,0,0,0,0,0|0,0,0]=2 32 B6R0.4 OC(=O)CCC#C AC510868 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.4 OC(=O)CCC#N AC512077 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 OC(=O)CCC=C AC511045 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.4 OC(=O)CCCBr AC511629 [2,0,0,0,0,0|1,0,0]=3 36 B8R0.4 COCCNCCOC AC220165 [1,1,0,0,0,0|0,1,1]=4 37 B8R0.3 CCCC(Br)C(=O)OC AC020863 [1,1,0,0,0,0|0,0,0]=2 38 B8R0.3 CCC[C@@H](N)C(=O)OC AC020453 [1,1,0,0,0,0|0,0,0]=2 39 B8R0.3 COC(=O)C(Br)CCBr AC130072 [1,1,0,0,0,0|1,0,0]=3 40 B8R0.28 CC(=O)CCCC(O)=O AC180079 [1,1,0,0,0,0|1,0,0]=3 41 B8R0.28 CN(C)CCCC(O)=O AC130623 [1,1,0,0,0,0|1,0,0]=3 42 B10R0.44 COC(=O)CC(=O)CC(C)C AC030157 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.82 COC(=O)CC[C@H](N)C(O)=O AC511522 [0,2,0,0,0,0|2,0,0]=4 44 B10R0.2 CCOC(=O)C[C@H](O)CC#N AC180987 [0,2,0,0,0,0|2,0,0]=4 45 B10R0.18 C#CCCC(=O)CC(=O)OC LN02210608 [0,2,0,0,0,0|1,0,1]=4 46 B10R0.74 COC(=O)CCCCCCBr AC500085 [0,2,0,0,0,0|1,0,0]=3 47 B10R0.74 COC(=O)CCCCCCN AC511150 [0,2,0,0,0,0|1,0,0]=3 48 B8R1.8 COCC1CCNC1 LN00001906 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.1 C=CC1COC(=O)C1 AC020673 [1,0,0,1,0,0|0,0,2]=4 50 B8R1.3 NC1CCC(=O)CC1 AC511876 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.3 OC1CCC(=O)CC1 AC070138 [1,0,0,1,0,0|1,1,0]=4 52 B8R1.3 OC1CCC(=O)NC1 AC050438 [1,0,0,1,0,0|1,1,0]=4 53 B8R1.3 O[C@@H]1CCC(=O)NC1 AC050213 [1,0,0,1,0,0|1,1,0]=4 54 B8R1.3 O[C@H]1CCC(=O)NC1 AC050474 [1,0,0,1,0,0|1,1,0]=4 55 B8R1.38 COC(=O)C1CNC1 AC181339 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.50 CN1C(O)CCC1=O AC050544 [1,0,0,1,0,0|1,1,0]=4 57 B8R1.4 CC1CC(=O)CCO1 AC220032 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 CN1CCCC(=O)C1 AC182125 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.4 CN1CCNC(=O)C1 AC182677 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.4 CN1CCOC(=O)C1 AC170002 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.4 O=C1CCCC(=O)C1 AC510798 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.7 CC(=O)C1CCCC1 AC512080 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.7 CC(=O)C1CCOC1 AC220028 [1,0,0,1,0,0|0,1,0]=3 64 B8R1.7 OC(=O)C1CC=CC1 AC180693 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.7 OC(=O)C1CCCC1 AC180019 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.7 OC(=O)C1CCCC1 AC500306 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.7 OC(=O)C1CCCO1 AC511285 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.7 OC(=O)C1CCCS1 AC040081 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.7 OC(=O)C1CCOC1 AC190250 [1,0,0,1,0,0|0,1,0]=3 70 B8R1.7 OC(=O)C1CSSC1 AC020754 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.7 OC(=O)C1CSSC1 HY-50730 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.7 OC(=O)[C@@H]1CCNC1 AC182243 [1,0,0,1,0,0|1,0,0]=3 74 B8R1.7 OC(=O)[C@H]1CCNC1 AC182027 [1,0,0,1,0,0|1,0,0]=3 75 B8R1.34 OC(=O)CC1CCC1 AC050613 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.13 CN(C)C1CCC(=O)CC1 AC182380 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.13 CN(C)C1CCC(=O)CC1 LN00335469 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.14 COC(=O)C1CCC(=O)N1 AC160469 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.14 COC(=O)C1CNC(=O)C1 AC182255 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 AC180646 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 AC021018 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.14 COC(=O)[C@H]1C[C@@H](N)C=C1 AC021488 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 AC020367 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.11 CCOC(=O)C1CCNC1 AC182738 [0,1,0,1,0,0|1,0,0]=3 85 B10R1.137 CCOC(=O)CC1CCC1 AC050526 [0,1,0,1,0,0|1,0,0]=3 86 B10R1.137 CCOC(=O)CC1COC1 AC050275 [0,1,0,1,0,0|0,1,0]=3 87 B10R1.15 COC(=O)C1CCCCC1 AC511706 [0,1,0,1,0,0|1,0,0]=3 88 B10R1.15 COC(=O)C1CCCCN1 AC182079 [0,1,0,1,0,0|1,0,0]=3 89 B10R1.15 COC(=O)C1CCCCO1 AC170120 [0,1,0,1,0,0|1,0,0]=3 90 B10R1.15 COC(=O)C1CCCNC1 AC511881 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.15 COC(=O)C1CCCOC1 AC170046 [0,1,0,1,0,0|0,1,0]=3 92 B10R1.15 COC(=O)C1CCNCC1 AC181476 [0,1,0,1,0,0|1,0,0]=3 93 B10R1.15 COC(=O)C1CCOCC1 AC181176 [0,1,0,1,0,0|0,1,0]=3 94 B10R1.15 COC(=O)C1COCCN1 AC170108 [0,1,0,1,0,0|0,1,0]=3 95 B10R1.15 COC(=O)[C@@H]1CCCCN1 AC160322 [0,1,0,1,0,0|1,0,0]=3 96 B10R1.15 COC(=O)[C@@H]1CCCNC1 AC021066 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.15 COC(=O)[C@@H]1COCCN1 AC182525 [0,1,0,1,0,0|0,1,0]=3 98 B10R1.15 COC(=O)[C@H]1CCCCN1 AC160321 [0,1,0,1,0,0|1,0,0]=3 99 B10R1.15 COC(=O)[C@H]1CCCNC1 AC021065 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.15 COC(=O)[C@H]1COCCN1 AC200037 [0,1,0,1,0,0|0,1,0]=3 101 B10R1.182 COC(=O)[C@@H](N)C1CCC1 AC050283 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.411 COC(=O)C1(N)CCCC1 AC020280 [0,1,0,1,0,0|1,0,0]=3 103 B10R1.151 COC(=O)CCN1CCC1 AC010298 [0,1,0,1,0,0|1,0,0]=3 104 B10R1.149 COC(=O)C1COCC1=O AC100031 [0,1,0,1,0,0|0,1,1]=4 105 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1O AC021064 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.1 CCCC1CCC(=O)CC1 AC180544 [0,1,0,1,0,0|2,0,0]=4 107 B10R2.332 O=C1CC2(COC2)CN1 AC030100 [0,0,0,2,0,0|1,1,0]=4