0 B6R0.3 CC(C)C(Cl)=NO AC010412 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.3 CC(C)[C@@H](N)CO AC180576 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)[C@H](N)CO AC510687 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CCC(=O)N(C)C AC130337 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 CN(C)C(=O)CBr AC511120 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 CN(C)C(=O)CN AC190042 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CNC(C)C(C)C AC010479 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CNC(C)C(C)C AC010530 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 COC(=O)C(C)C AC130130 [0,0,0,0,0,0|0,0,0]=0 9 B6R0.3 COC(=O)[C@@H](C)N AC511504 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.3 COC(=O)[C@H](C)N AC500273 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CON(C)C(C)=O AC130053 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CC(C)/C=N/O AC010411 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.3 CCC(=N)NO AC050497 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.3 COC(=O)CO AC190202 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.3 COC(=S)NN AC060048 [1,0,0,0,0,0|2,1,0]=4 16 B5R0.5 CC(=O)C(O)=O AC500188 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.5 CC(C(=N)O)N LN00156053 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.5 CC(C)B(O)O AC190241 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.5 OC(=O)C(F)=C AC511915 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.5 CCOC(=N)C(C)C AC200066 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.5 CCOC(=O)C(F)F AC510778 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.10 COC(=O)C(=C)CBr AC510213 [0,1,0,0,0,0|0,0,2]=3 23 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.10 CON(C)C(=O)CCl AC130067 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.10 CON(C)C(=O)OC AC160921 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.14 COC(=O)C(C)(C)N AC180889 [0,1,0,0,0,0|0,0,0]=1 29 B7R0.14 COC(=O)C(C)(C)O AC130215 [0,1,0,0,0,0|0,0,0]=1 30 B7R1.4 BrC1CCOC1=O AC130063 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.4 NN1CCCC1=O AC050447 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.4 N[C@@H]1CCOC1=O AC511454 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.4 N[C@H]1CCOC1=O AC511602 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|1,1,0]=3 38 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.4 O[C@H]1CCNC1=O AC182048 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.22 COC(=O)[C@H]1CO1 AC070001 [0,0,0,1,0,0|1,0,0]=2 41 B7R1.22 NNC(=O)C1CC1 AC010237 [0,0,0,1,0,0|2,0,0]=3 42 B4R0.1 CC(=C)CBr AC500207 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.1 CC(=O)CN AC511171 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.1 CC(=O)NN AC130308 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.1 CC(=O)NO AC130286 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 CC(C)NN AC130058 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 CC(C)ON AC511892 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.1 CC(N)CO AC510879 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.1 CCB(O)O AC090161 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 CCC(N)=N AC512090 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 CNN(C)C AC021456 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 C[C@H](N)CO AC511021 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.1 NC(=O)CBr AC500017 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 NCC(N)=O AC511550 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.1 CCC(C)CNC AC010501 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.1 CCC(C)CNC AC010533 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.1 CCCC(C)NC AC010486 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.1 CCCC(C)NC AC010524 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.4 CC(C)CCCO AC510897 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.4 CC(C)OCCBr AC512105 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.4 CNCCC(C)C AC010487 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.4 CNCCC(C)C AC010537 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.5 CNCC(C)(C)C AC010541 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.5 CNCC(C)(C)C AC010542 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.7 CC(C)(Br)C(N)=O AC511105 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.7 CC(C)(Br)C(O)=O AC130551 [1,1,0,0,0,0|0,0,0]=2 68 B6R0.7 CC(C)(C)C(O)=O AC190056 [1,1,0,0,0,0|0,0,0]=2 69 B6R0.7 CC(C)(C)S(N)=O AC500025 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.7 CC(C)(C)S(N)=O AC500098 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.7 CC(C)(C)[S@](N)=O AC500106 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.7 CC(C)(N)C(O)=O AC510892 [1,1,0,0,0,0|0,0,0]=2 73 B6R0.7 CC(C)S(N)(=O)=O AC511195 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.7 CC(Cl)(Cl)C(O)=O AC130054 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.7 CC(F)(F)C(O)=O AC220123 [1,1,0,0,0,0|1,0,0]=3 76 B6R0.7 OC(=O)C(F)(F)Cl AC130068 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.2 CON(C)C(=O)C(C)C AC100055 [0,1,0,0,0,1|2,0,0]=4 78 B8R0.5 CC(C)OC(=O)OCCl AC511675 [0,1,0,0,0,1|0,0,0]=2 79 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [0,1,0,0,0,1|1,0,0]=3 80 B8R0.24 CC(C)(C)OC(=O)CBr AC130036 [0,1,0,0,0,1|2,0,0]=4 81 B8R0.24 CC(C)(C)OC(=O)CN AC510914 [0,1,0,0,0,1|2,0,0]=4 82 B8R0.24 CC(C)(C)OC(=O)CN AC511637 [0,1,0,0,0,1|2,0,0]=4 83 B8R0.24 CC(C)(C)OC(=O)CO AC181683 [0,1,0,0,0,1|2,0,0]=4 84 B8R0.24 CC(C)(C)OC(=O)NN AC130711 [0,1,0,0,0,1|2,0,0]=4 85 B8R0.24 CC(C)(C)OC(=O)NO AC180032 [0,1,0,0,0,1|2,0,0]=4 86 B8R0.24 CNC(=O)OC(C)(C)C AC500222 [0,1,0,0,0,1|1,0,0]=3 87 B8R0.3 CCCC(Br)C(=O)OC AC020863 [0,2,0,0,0,0|1,0,0]=3 88 B8R0.3 CCC[C@@H](N)C(=O)OC AC020453 [0,2,0,0,0,0|1,0,0]=3 89 B8R0.3 CCOC(=O)C(=C)CBr AC511560 [0,2,0,0,0,0|0,0,2]=4 90 B8R0.3 CCOC(=O)C(=O)CBr AC131178 [0,2,0,0,0,0|1,0,1]=4 91 B8R0.3 CCOC(=O)C(C)C#N AC180304 [0,2,0,0,0,0|0,0,1]=3 92 B8R0.3 CCOC(=O)[C@@H](N)CO AC511631 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.3 COC(=O)C(Br)CCBr AC130072 [0,2,0,0,0,0|1,0,0]=3 94 B8R0.14 CC(C)(C)C(=O)OCCl AC500243 [0,2,0,0,0,0|0,0,0]=2 95 B8R0.14 CCOC(=O)C(C)(F)F AC220004 [0,2,0,0,0,0|1,0,0]=3 96 B8R0.14 CCOC(=O)C(F)(F)Br AC130230 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.13 CCC(=O)C(C)(C)C=O LN01360485 [0,2,0,0,0,0|1,0,0]=3 98 B6R1.2 BrC1CCOC1 AC190141 [1,0,0,1,0,0|1,0,1]=4 99 B6R1.2 C1COCC1I LN00003379 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.2 C1COC[C@H]1O LN00007278 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.2 CC1=CCCC1 AC220188 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.2 CC1CCNC1 LN00002080 [1,0,0,1,0,0|1,0,1]=4 103 B6R1.2 C[C@@H]1CCCN1 AC200009 [1,0,0,1,0,0|2,0,0]=4 104 B6R1.2 ClC1CCOC1 AC220018 [1,0,0,1,0,0|1,0,1]=4 105 B6R1.2 IC1CCOC1 AC220019 [1,0,0,1,0,0|1,0,1]=4 106 B6R1.2 NC1CCOC1 AC220015 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.2 OC1CCOC1 AC021063 [1,0,0,1,0,0|1,0,1]=4 108 B6R1.2 O[C@@H]1CCOC1 AC180598 [1,0,0,1,0,0|1,0,1]=4 109 B6R1.2 O[C@H]1CCOC1 AC180577 [1,0,0,1,0,0|1,0,1]=4 110 B6R1.10 CC1(C)CNC1 AC182563 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.10 CC1(O)COC1 AC511231 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.4 CC1CC(=O)CCO1 AC220032 [0,0,0,1,0,1|2,0,0]=4 113 B8R1.4 CN1CCCC(=O)C1 AC182125 [0,0,0,1,0,1|2,0,0]=4 114 B8R1.4 CN1CCNC(=O)C1 AC182677 [0,0,0,1,0,1|2,0,0]=4 115 B8R1.4 CN1CCOC(=O)C1 AC170002 [0,0,0,1,0,1|1,0,0]=3 116 B8R1.4 OC1CCNC(=O)C1 AC182440 [0,0,0,1,0,1|2,0,0]=4 117 B8R1.51 CC1(C)CCC(=O)C1 AC120015 [0,0,0,1,0,1|1,0,0]=3 118 B8R1.5 CC1CNCCC1=O AC050554 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.5 CC1CNCCC1=O AC050590 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.5 CC1CNCCC1=O LN00001086 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.5 CC1COCCC1=O AC182732 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.5 CN1CCNCC1=O AC180697 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.5 N[C@H]1CCCNC1=O AC182393 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.38 COC(=O)C1CNC1 AC181339 [0,1,0,1,0,0|0,0,0]=2 126 B8R1.39 COC(=O)C1(Br)CC1 AC130029 [0,1,0,1,0,0|0,0,0]=2 127 B8R1.50 CC1C(=O)CCC1=O AC511789 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.50 CN1C(O)CCC1=O AC050544 [0,1,0,1,0,0|2,0,0]=4