0 B9R1.35 CC1NC(C(=O)O)CS1 OR24669 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 NC(=O)C1CC(O)CN1 OR322526 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 PC409008 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 OR450007 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 PC5718 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 PC5719 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 PC4474 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.35 O=C1CC(C(=O)O)CN1 OR315602 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O=C1CCC(C(=O)O)N1 OR350322 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 O=C1CN[C@H](C(=O)O)C1 OR309140 [0,0,0,0,0,0|0,0,2]=2 10 B8R1.7 NC(=O)N1CCCC1 OR302521 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 O=C(O)C1=CCCC1 OR322492 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.7 O=C(O)C1CCNC1 OR301045 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.7 O=C(O)C1CCNC1 OR309145 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 O=C(O)[C@@H]1CCNC1 OR309146 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 O=C(O)[C@H]1CCCO1 OR315017 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.7 O=C(O)[C@H]1CCNC1 OR309147 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 OR471452 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 PC409019 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 PC409020 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 OR52665 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 PC3159 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F PC0674 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 PC409000 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.359 NC(=O)[C@H]1CC(F)(F)CN1 PC409005 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 PC201261 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 PC53160 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.9 CC(=O)OCC(O)CCl OR302162 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.9 CCC(Cl)CCC(=O)Cl OR470809 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.15 COC(CCN)C(=O)O OR54396 [0,0,1,0,0,0|2,0,0]=3 30 B8R0.23 CC(C)C[C@H](F)C(=O)O PC6852 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.23 CS(=O)C[C@H](N)C(=O)O OR480202 [0,0,1,0,0,0|1,0,1]=3 32 B8R0.28 CC(C)CCCC(=O)O OR2382 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.28 O=C(O)CCCC(=O)O OR10039 [0,0,1,0,0,0|2,0,1]=4 34 B10R2.348 O=C(O)C12CC(CN1)C2 OR301235 [0,0,0,1,0,0|1,0,0]=2 35 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O OR310263 [0,0,0,1,0,0|1,0,0]=2 36 B8R1.23 C=C1CC(C(=O)Cl)C1 OR6383 [0,0,0,0,1,0|2,0,1]=4 37 B8R1.23 CC(=O)N1CC(O)C1 OR451031 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 OR317068 [0,0,0,0,1,0|1,0,0]=2 39 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 OR317069 [0,0,0,0,1,0|1,0,0]=2 40 B8R1.23 NC1CC(C(=O)O)C1 OR322763 [0,0,0,0,1,0|1,0,0]=2 41 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR317054 [0,0,0,0,1,0|1,0,0]=2 42 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 OR317055 [0,0,0,0,1,0|1,0,0]=2 43 B8R1.23 O=C(O)C1CC(F)C1 PC405004 [0,0,0,0,1,0|1,0,0]=2 44 B8R1.23 O=C(O)C1CC(O)C1 OR308101 [0,0,0,0,1,0|0,0,0]=1 45 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 OR317124 [0,0,0,0,1,0|0,0,0]=1 46 B10R1.13 CC(=O)N1CCC(O)CC1 OR460011 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.13 CC1=CCC(C(=O)O)CC1 OR310527 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.13 CC1CCC(C(=O)O)CC1 OR307149 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.13 CC1CCC(C(N)=O)CN1 OR302405 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 OR307147 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 OR315273 [0,0,0,0,0,1|2,0,1]=4 52 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 OR55190 [0,0,0,0,0,1|1,0,0]=2 53 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 OR480267 [0,0,0,0,0,1|0,0,0]=1 54 B7R0.4 CC(=O)CCCCCl OR10952 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.4 CCCCCC(C)=O OR10122 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.4 CCC\C=C\C(=O)O OR301183 [1,0,1,0,0,0|1,0,1]=4 57 B7R0.4 CSCCCC(=O)O OR307008 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.4 NCCCCC(=O)O OR24917 [1,0,1,0,0,0|0,0,0]=2 59 B7R0.4 O=C(O)COCCBr BIPG1337 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.5 CC(CCCl)C(=O)Cl OR470808 [1,0,1,0,0,0|2,0,0]=4 61 B7R0.5 COC[C@H](N)C(=O)O OR307094 [1,0,1,0,0,0|1,0,0]=3 62 B7R0.5 NCCC(F)C(=O)O PC1076DC [1,0,1,0,0,0|2,0,0]=4 63 B7R0.5 NCC[C@@H](F)C(=O)O PC0651 [1,0,1,0,0,0|2,0,0]=4 64 B7R0.5 NCC[C@H](F)C(=O)O PC0372 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.5 N[C@H](CCO)C(=O)O OR304075 [1,0,1,0,0,0|0,0,0]=2 66 B7R0.6 CC(=O)CCC(C)C OR10031 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.6 CC(N)CCC(=O)O OR53204 [1,0,1,0,0,0|1,0,0]=3 68 B7R0.6 CN(C)CCC(=O)O OR322402 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.6 O=C(O)CCC(=O)O OR14341 [1,0,1,0,0,0|1,0,1]=4 70 B7R1.1 N#C[C@H]1CCCN1 PC904446 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.2 O=C1C[C@@H](O)CN1 OR322659 [2,0,0,0,0,0|0,0,1]=3 72 B7R1.2 O[C@@H]1C=C[C@H](O)C1 OR322236 [2,0,0,0,0,0|1,0,1]=4 73 B9R0.7 CC(CCC(=O)O)C(=O)O OR315231 [0,1,1,0,0,0|1,0,1]=4 74 B9R0.39 CNC(CC(=O)O)C(=O)O OR322308 [0,1,1,0,0,0|0,0,1]=3 75 B9R0.39 CN[C@@H](CC(C)C)C(=O)O OR24700 [0,1,1,0,0,0|1,0,0]=3 76 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O PC53007 [0,1,1,0,0,0|1,0,0]=3 77 B9R0.57 NC(CC(F)(F)F)C(=O)O PC1100A [0,1,1,0,0,0|2,0,0]=4 78 B9R0.57 NC(CC(F)(F)F)C(=O)O PC5237 [0,1,1,0,0,0|2,0,0]=4 79 B9R0.57 NC(CP(=O)(O)O)C(=O)O OR10671 [0,1,1,0,0,0|2,0,0]=4 80 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O OR10631 [0,1,1,0,0,0|0,0,0]=2 81 B9R1.11 CNC(=O)[C@@H]1CCCN1 OR451186 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.11 COC(=O)C1CCCC1 OR310647 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O OR315136 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O OR315137 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O OR307527 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O OR307663 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.163 NC1(C(=O)O)CCOC1 OR301385 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.163 O=C(O)C1(F)CCCC1 PC201151 [1,1,0,0,0,0|1,0,0]=3 89 B9R1.82 COC(=O)C1CC(C)O1 OR309116 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.82 COC(=O)C1CC(Cl)C1 OR317129 [0,1,0,0,1,0|1,0,0]=3 91 B9R1.82 COC(=O)C1CC(O)C1 OR317062 [0,1,0,0,1,0|0,0,0]=2 92 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 OR309109 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 OR317056 [0,1,0,0,1,0|1,0,0]=3 94 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 OR317100 [0,1,0,0,1,0|0,0,0]=2 95 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 OR317065 [0,1,0,0,1,0|1,0,0]=3 96 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 OR317126 [0,1,0,0,1,0|0,0,0]=2 97 B9R1.95 O=C(O)C1CC(CBr)C1 OR315585 [0,1,0,0,1,0|1,0,0]=3 98 B9R1.95 O=C(O)C1CC(CO)C1 OR308104 [0,1,0,0,1,0|0,0,0]=2 99 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 PC402117 [0,1,0,0,1,0|1,0,0]=3 100 B9R1.164 O=C(O)C1CC(F)(F)C1 PC400716 [0,1,0,0,1,0|1,0,0]=3 101 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 OR350166 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.22 COC(=O)C1CCC(C)NC1 OR302409 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.727 O=C(O)C1CCC(F)(F)CC1 PC0688 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.23 COC(=O)C1CNCC(C)C1 OR302418 [0,1,0,0,0,1|1,0,0]=3 105 B11R1.23 COC(=O)[C@H]1CNC[C@H](C)C1 OR302689 [0,1,0,0,0,1|1,0,0]=3 106 B11R1.730 O=C(O)C1CCCC(F)(F)C1 PC403000 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.730 O=C(O)C1CNCC(F)(F)C1 PC430159 [0,1,0,0,0,1|1,0,0]=3 108 B11R1.225 COC(=O)[C@@H]1C[C@@H](O)CN1C OR323173 [0,2,0,0,0,0|0,0,0]=2 109 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 PC201152 [0,2,0,0,0,0|1,0,0]=3 110 B9R1.6 O=C(O)C1CNCCS1 OR315576 [0,0,1,1,0,0|2,0,0]=4 111 B9R1.6 O=C(O)C1COCCN1 OR301290 [0,0,1,1,0,0|0,0,0]=2 112 B9R1.6 O=C(O)[C@@H]1COCCN1 OR308162 [0,0,1,1,0,0|0,0,0]=2 113 B9R1.6 O=C(O)[C@H]1COCCN1 OR305311 [0,0,1,1,0,0|0,0,0]=2 114 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 OR317294 [0,0,1,1,0,0|2,0,0]=4 115 B9R2.39 O=C1OC2CCC1C2 OR55326 [1,0,0,1,0,0|1,0,0]=3 116 B9R2.7 [C@H]12CCC[C@H]1NC2=O OR470175 [1,0,0,1,0,0|2,0,0]=4 117 B9R2.145 CC(=O)C12CC(C1)C2 OR52589 [0,0,0,1,1,0|2,0,0]=4 118 B9R2.145 NC(=O)C12CC(C1)C2 OR312445 [0,0,0,1,1,0|2,0,0]=4 119 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@@H]1C2 OR315429 [0,0,0,1,0,1|2,0,0]=4 120 B7R0.16 C=C(C)[C@@H](N)C(=O)O OR480226 [0,0,1,0,1,0|1,0,1]=4 121 B7R0.16 CC(C)C(Br)C(=O)O OR26787 [0,0,1,0,1,0|2,0,0]=4 122 B7R0.16 CC(F)C(N)C(=O)O PC1076D [0,0,1,0,1,0|1,0,0]=3 123 B7R0.16 NC(C(=O)O)C(F)F PC53556 [0,0,1,0,1,0|2,0,0]=4 124 B7R1.10 CNC1CC(O)C1 OR317074 [1,0,0,0,1,0|2,0,0]=4 125 B7R1.10 CN[C@H]1C[C@H](O)C1 OR317297 [1,0,0,0,1,0|2,0,0]=4 126 B7R1.10 NC1CC(CO)C1 OR308092 [1,0,0,0,1,0|1,0,1]=4 127 B7R1.10 NC[C@H]1C[C@H](O)C1 OR308089 [1,0,0,0,1,0|1,0,1]=4 128 B7R1.10 N[C@H]1C[C@H](CO)C1 OR308094 [1,0,0,0,1,0|1,0,1]=4 129 B7R1.18 NC(=O)C1CCN1 OR451001 [1,0,0,0,1,0|1,0,0]=3 130 B7R1.18 O=C(O)C1CCN1 OR309022 [1,0,0,0,1,0|0,0,0]=2 131 B7R1.18 O=C(O)C1CCO1 OR308010 [1,0,0,0,1,0|1,0,0]=3 132 B7R1.18 O=C(O)[C@H]1CCN1 OR317238 [1,0,0,0,1,0|0,0,0]=2 133 B7R1.12 CC1CC1C(N)=O OR302522 [0,0,0,0,2,0|2,0,0]=4 134 B7R1.12 O=C(O)C1CC1F PC201153 [0,0,0,0,2,0|1,0,0]=3 135 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400537 [0,0,0,0,2,0|1,0,0]=3 136 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400540 [0,0,0,0,2,0|1,0,0]=3 137 B7R1.12 O=C(O)[C@@H]1C[C@H]1F PC400541 [0,0,0,0,2,0|1,0,0]=3 138 B7R1.12 O=C(O)[C@H]1C[C@@H]1F PC400539 [0,0,0,0,2,0|1,0,0]=3 139 B7R1.12 O=C(O)[C@H]1C[C@H]1F PC400536 [0,0,0,0,2,0|1,0,0]=3 140 B7R1.12 O=C(O)[C@H]1C[C@H]1I OR302646 [0,0,0,0,2,0|1,0,0]=3 141 B9R1.13 O=C(O)CC1CCCO1 OR480227 [1,0,0,0,0,1|1,0,0]=3 142 B9R1.13 O=C(O)CC1CCOC1 OR321471 [1,0,0,0,0,1|2,0,0]=4 143 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 OR1007 [0,0,0,0,0,2|2,0,0]=4