0 B9R1.35 C1C(N=C(S1)N)C(=O)O BC200189 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 C1CC(=O)C=C1C(=O)O BC675996 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.35 C1CC(=O)CC1C(=O)O BC223612 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.35 C1CC(=O)N[C@@H]1C(=O)N BC683023 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O BC689086 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 C1CC(=O)N[C@@H]1C(=O)[O-] BC223766 [0,0,0,0,0,0|0,0,1]=1 6 B9R1.35 C1CC(=O)N[C@H]1C(=O)O BC204542 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.35 C1CC(=O)O[C@H]1C(=O)O BC225732 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F BC678396 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O BC228051 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S BC649894 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC211262 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC600062 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F BC207720 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O BC205527 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC202599 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC676715 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 CC1CC[C@H](N1)C(=O)O BC209434 [0,0,0,0,0,0|1,0,1]=2 18 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [1,0,0,0,0,0|0,0,1]=2 19 B8R1.7 C1C=CCC1C(=O)O BC226569 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.7 C1C=C[C@H](N1)C(=O)O BC676801 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 C1CC(OC1)C(=O)O BC226570 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.7 C1CNCC1C(=O)O BC202146 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [1,0,0,0,0,0|0,0,1]=2 28 B8R1.7 C1[C@H](NCS1)C(=O)O BC215224 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.7 CC(=O)C1CCCC1 BC225383 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 c1c([nH]cn1)C(=O)O BC223837 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.7 c1cc([nH]c1)C(=O)O BC220697 [1,0,0,0,0,0|0,0,3]=4 32 B10R1.14 COC(=O)C1CCC(=O)C1 BC257487 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 BC204901 [0,1,0,0,0,0|0,0,0]=1 34 B10R1.359 CC1(NC(CS1)C(=O)O)C BC205685 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.359 CC1(NC(CS1)C(=O)O)C BC600048 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.359 CC1(NC(CS1)C(=O)O)C BC600235 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC205409 [0,0,1,0,0,0|1,0,1]=3 38 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206763 [0,0,1,0,0,0|1,0,1]=3 39 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206765 [0,0,1,0,0,0|1,0,1]=3 40 B8R0.8 CSCCC(C(=O)O)N BC201484 [0,0,1,0,0,0|2,0,0]=3 41 B8R0.8 CSCC[C@@H](C(=O)N)N BC215117 [0,0,1,0,0,0|3,0,0]=4 42 B8R0.9 C(CC(=O)O)C(=O)CN BC205541 [0,0,1,0,0,0|2,0,0]=3 43 B8R0.9 C(CC(=O)O)C(=O)CN BC210778 [0,0,1,0,0,0|2,0,0]=3 44 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O BC676689 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.23 C([C@H](C(=O)O)O)C(=O)O BC208474 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.23 CC(=O)CC(C(=O)O)O BC657254 [0,0,1,0,0,0|2,0,0]=3 47 B8R0.28 C(C(=O)O)NCC(=O)O BC657268 [0,0,1,0,0,0|2,0,0]=3 48 B8R1.23 C1C(CC1=O)C(=O)O BC225162 [0,0,0,0,1,0|1,0,0]=2 49 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [0,0,0,0,1,0|2,0,1]=4 50 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [0,0,0,0,1,0|2,0,1]=4 51 B10R1.13 C1CC(=O)CCC1C(=O)O BC206441 [0,0,0,0,0,1|1,0,0]=2 52 B10R1.13 C1CC(CCC1C(=O)O)O BC200625 [0,0,0,0,0,1|1,0,2]=4 53 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O BC645886 [0,0,0,0,0,1|2,0,1]=4 54 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O BC684720 [0,0,0,0,0,1|1,0,2]=4 55 B10R1.13 C1[C@@H](NCC(=O)N1)C(=O)O BC600027 [0,0,0,0,0,1|1,0,0]=2 56 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O BC600028 [0,0,0,0,0,1|1,0,0]=2 57 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O BC600045 [0,0,0,0,0,1|1,0,0]=2 58 B10R1.13 CN1CCC(CC1)C(=O)O BC676846 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.113 C1C(NC(=O)CN1)C(=O)O BC600006 [0,0,0,0,0,1|0,0,0]=1 60 B10R1.113 C1CC(NC(=O)C1)C(=O)O BC215498 [0,0,0,0,0,1|0,0,0]=1 61 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O BC600023 [0,0,0,0,0,1|0,0,0]=1 62 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O BC220156 [0,0,0,0,0,1|2,0,1]=4 63 B7R0.4 C(CCBr)CC(=O)O BC220689 [1,0,1,0,0,0|1,0,1]=4 64 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [1,0,1,0,0,0|1,0,1]=4 65 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [1,0,1,0,0,0|2,0,0]=4 66 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [1,0,1,0,0,0|0,0,1]=3 67 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [1,0,1,0,0,0|0,0,1]=3 68 B7R0.5 C=CC[C@@H](C(=O)O)N BC213753 [1,0,1,0,0,0|0,0,1]=3 69 B7R0.5 COCC(C(=O)O)N BC686174 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.5 COC[C@H](C(=O)O)N BC679204 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.6 CC(=O)CCC(=O)C BC676318 [1,0,1,0,0,0|2,0,0]=4 73 B7R0.6 CC(=O)CCC(=O)O BC216409 [1,0,1,0,0,0|1,0,0]=3 74 B7R0.6 CC(=O)CNC(=O)C BC220001 [1,0,1,0,0,0|1,0,0]=3 75 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [1,0,1,0,0,0|1,0,1]=4 76 B7R1.1 C1CC(NC1)CO BC683595 [2,0,0,0,0,0|0,0,2]=4 77 B7R1.1 C1CC(OC1)C=O BC677017 [2,0,0,0,0,0|1,0,1]=4 78 B7R1.1 C1CCC(C1)C=O BC228665 [2,0,0,0,0,0|1,0,1]=4 79 B7R1.2 C1C(=O)NC(=O)N1 BC220746 [2,0,0,0,0,0|1,0,1]=4 80 B7R1.2 C1CC(=O)OC1=O BC676904 [2,0,0,0,0,0|1,0,1]=4 81 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.2 C1[C@H](CNC1=O)O BC676893 [2,0,0,0,0,0|2,0,0]=4 83 B9R0.7 C(CC(=O)O)C(=O)C(=O)O BC206209 [0,1,1,0,0,0|1,0,1]=4 84 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC223742 [0,1,1,0,0,0|0,0,0]=2 85 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC687511 [0,1,1,0,0,0|0,0,0]=2 86 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N BC657158 [0,1,1,0,0,0|1,0,0]=3 87 B9R0.7 CC(C)CC[C@@H](C(=O)O)N BC679179 [0,1,1,0,0,0|1,0,1]=4 88 B9R0.7 CC(C)CC[C@H](C(=O)O)N BC679178 [0,1,1,0,0,0|1,0,1]=4 89 B9R0.47 C(CC=O)C[C@@H](C(=O)O)N BC205410 [0,1,1,0,0,0|0,0,0]=2 90 B9R0.47 C(CCN)C[C@@H](C(=O)O)N BC677886 [0,1,1,0,0,0|1,0,1]=4 91 B9R0.47 C(CCO)C[C@@H](C(=O)O)N BC676968 [0,1,1,0,0,0|0,0,2]=4 92 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O BC209913 [0,1,1,0,0,0|1,0,0]=3 93 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O BC640487 [0,1,1,0,0,0|2,0,0]=4 94 B9R0.11 CC(=O)OC(C)(C)C(=O)Br BC203938 [0,1,1,0,0,0|2,0,0]=4 95 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl BC215380 [0,1,1,0,0,0|2,0,0]=4 96 B9R0.1 COC(=O)CCCC(=O)Cl BC220631 [0,1,1,0,0,0|1,0,0]=3 97 B9R0.53 C(C(=O)CC(=O)O)C(=O)O BC213438 [0,1,1,0,0,0|1,0,1]=4 98 B9R1.7 CCOC1CCC(=O)N1 BC206926 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.11 COC(=O)C1CC=CC1 BC222628 [1,1,0,0,0,0|1,0,1]=4 100 B9R1.11 COC(=O)C1CCCO1 BC219007 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.11 COC(=O)C1CCNC1 BC222655 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O BC210183 [1,1,0,0,0,0|1,0,1]=4 103 B9R1.163 CC1(CCNC1)C(=O)O BC223711 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.3 C1CN(CCC1C(=O)O)C=O BC225901 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.22 COC(=O)C1CCC(=O)CC1 BC206442 [0,1,0,0,0,1|1,0,0]=3 106 B11R1.23 COC(=O)C1CNCC(=O)N1 BC600239 [0,1,0,0,0,1|0,0,0]=2 107 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 BC600240 [0,1,0,0,0,1|0,0,0]=2 108 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 BC600238 [0,1,0,0,0,1|0,0,0]=2 109 B11R1.74 C1C(CC(=O)CC1=O)C(=O)O BC677522 [0,1,0,0,0,1|1,0,0]=3 110 B11R1.15 CCOC(=O)N1CCC(=O)C1 BC202130 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 BC204902 [0,2,0,0,0,0|0,0,0]=2 112 B9R1.6 C1CC(CC=C1)C(=O)O BC646428 [0,0,1,1,0,0|2,0,0]=4 113 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [0,0,1,1,0,0|1,0,1]=4 114 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [0,0,1,1,0,0|1,0,1]=4 115 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [0,0,1,1,0,0|1,0,1]=4 116 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N BC225195 [0,0,1,1,0,0|1,0,1]=4 117 B9R2.39 C1C2C=CC1NC2=O BC215382 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.18 C1C(CN1)C(=O)O BC202058 [1,0,0,0,1,0|1,0,1]=4 119 B7R1.18 C1C(CN1)C(=O)O BC225187 [1,0,0,0,1,0|1,0,1]=4 120 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [1,0,0,0,1,0|0,0,0]=2 121 B7R1.18 C1COC1C(=O)O BC653175 [1,0,0,0,1,0|1,0,0]=3 122 B9R1.13 C1CNC[C@@H]1CC(=O)O BC241278 [1,0,0,0,0,1|2,0,0]=4 123 B9R1.13 C1CNC[C@H]1CC(=O)O BC202154 [1,0,0,0,0,1|2,0,0]=4 124 B9R1.13 C1CSSC1CC(=O)O BC211846 [1,0,0,0,0,1|2,0,0]=4 125 B11R1.20 CC(=O)NC1CCC(=O)CC1 BC219334 [0,0,0,0,0,2|2,0,0]=4