0 B7R0.6 CC(=O)CCC(C)C OR10031 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(=O)NNC(C)=O OR6774 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)OCC(F)F PC2808 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(=O)\C=C\C(=O)O OR22045 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.6 CC(C)=NNC(N)=O OR111530 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 CC(C)CCC(=N)N OR322496 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CC(N)CCC(=O)O OR53204 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.6 CN(C)CCC(=O)O OR322402 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.6 N=C(N)NCC(=O)O OR27969 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.6 O=C(Cl)CCC(=O)Cl OR322725 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.6 O=C(O)CCC(=O)O OR14341 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.4 C=CCCB(O)O OR360821 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 C=CCC[C@H](C)O OR304053 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 CC(=O)OCC=O OR30432 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 CCCCC(=N)N OR470546 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CCCCC(C)O OR10018 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CCCC[C@@H](C)O OR304041 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CCNCC(=O)O OR322207 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 CN(C)CCCO OR5472 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 COCCC(=O)O OR315601 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.9 CC(=O)OCC(O)CCl OR302162 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.9 CCC(Cl)CCC(=O)Cl OR470809 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.9 CNC(=O)\C=C/C(=O)O OR322103 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.23 C=C(NC(C)=O)C(=O)O BIA1004 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.23 CC(=O)NC(C)C(=O)O BIA1218 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.23 CC(C)C[C@H](F)C(=O)O PC6852 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.23 CS(=O)C[C@H](N)C(=O)O OR480202 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.29 CC(=O)CCC(F)(F)F PC450286 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.29 CC(C)(N)CCC(=O)O OR53210 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.29 CC(C)(S)CCC(=O)O OR323129 [0,1,0,0,0,0|0,1,1]=3 30 B8R0.29 O=C(O)CCC(F)(F)F PC7292 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.3 O=C1CCC(F)CC1 PC409038 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.23 C=C1CC(C(=O)Cl)C1 OR6383 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.23 CC(=O)N1CC(O)C1 OR451031 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 OR317068 [0,0,0,1,0,0|1,0,1]=3 35 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 OR317069 [0,0,0,1,0,0|1,0,1]=3 36 B8R1.23 NC1CC(C(=O)O)C1 OR322763 [0,0,0,1,0,0|1,0,1]=3 37 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR317054 [0,0,0,1,0,0|1,0,1]=3 38 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 OR317055 [0,0,0,1,0,0|1,0,1]=3 39 B8R1.23 O=C(O)C1CC(F)C1 PC405004 [0,0,0,1,0,0|1,0,1]=3 40 B8R1.23 O=C(O)C1CC(O)C1 OR308101 [0,0,0,1,0,0|0,0,2]=3 41 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 OR317124 [0,0,0,1,0,0|0,0,2]=3 42 B8R1.23 O=C1CC(C(F)F)C1 PC56281 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.51 O=C1CCS(=O)(=O)C1 OR302453 [0,0,0,1,0,0|1,0,1]=3 44 B8R1.77 O=C(O)C1CC1(Cl)Cl OR27835 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.77 O=C(O)C1CC1(F)Cl PC9539 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.77 O=C(O)C1CC1(F)F PC7892 [0,0,0,1,0,0|2,0,1]=4 47 B6R0.2 CC(O)CC(=O)[O-] OR28800 [0,0,0,0,1,0|0,0,3]=4 48 B8R0.28 CC(=O)OCC=C(F)F PC8369 [0,0,0,0,0,1|2,0,1]=4 49 B8R0.28 CC(C)CCCC(=O)O OR2382 [0,0,0,0,0,1|1,0,1]=3 50 B8R0.28 CC(C)CCOC(=O)Cl OR471322 [0,0,0,0,0,1|2,0,1]=4 51 B8R0.28 CN(C)C\C=C\C(=O)O OR471113 [0,0,0,0,0,1|2,0,1]=4 52 B8R0.28 NC(=O)CCC[N+](=O)[O-] OR322599 [0,0,0,0,0,1|2,0,1]=4 53 B8R0.28 NC(=O)COCC(=O)O OR28494 [0,0,0,0,0,1|1,0,0]=2 54 B8R0.28 O=C(O)CCCC(=O)O OR10039 [0,0,0,0,0,1|1,0,0]=2 55 B5R0.1 CC(C)=CC=O OR315230 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.1 CCCC(C)O OR460068 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.1 CCC[C@@H](C)O OR304039 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 CCC[C@H](C)O OR304040 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 CN(C)CCO OR322433 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 C[C@H](O)CCO OR315271 [2,0,0,0,0,0|0,0,2]=4 61 B5R0.2 O=CCCCF PC53182 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.2 CC(CN)CC(=O)O OR53211 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.3 CNCCC(=O)OC OR323298 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.3 NNC(=O)CCCO OR23932 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.4 CC(=O)CCCCCl OR10952 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.4 CCCCCC(C)=O OR10122 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.4 CCC\C=C\C(=O)O OR301183 [1,1,0,0,0,0|0,0,2]=4 68 B7R0.4 CSCCCC(=O)O OR307008 [1,1,0,0,0,0|0,0,1]=3 69 B7R0.4 NCCCCC(=O)O OR24917 [1,1,0,0,0,0|0,0,1]=3 70 B7R0.4 O=C(O)COCCBr BIPG1337 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.5 COC[C@H](N)C(=O)O OR307094 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.5 NCCC(F)C(=O)O PC1076DC [1,1,0,0,0,0|1,0,1]=4 73 B7R0.5 NCC[C@@H](F)C(=O)O PC0651 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.5 NCC[C@H](F)C(=O)O PC0372 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.5 N[C@H](CCO)C(=O)O OR304075 [1,1,0,0,0,0|0,0,2]=4 76 B7R0.9 CS(=O)(=O)CC(N)=O OR470513 [0,1,0,0,1,0|2,0,0]=4 77 B7R0.16 C=C(C)[C@@H](N)C(=O)O OR480226 [0,1,0,0,1,0|1,0,0]=3 78 B7R0.16 CC(C)C(Br)C(=O)O OR26787 [0,1,0,0,1,0|1,0,1]=4 79 B7R0.16 CC(F)C(N)C(=O)O PC1076D [0,1,0,0,1,0|1,0,1]=4 80 B7R0.16 O=C(O)C(F)C(=O)O PC53171 [0,1,0,0,1,0|1,0,0]=3 81 B9R0.1 O=C(O)CCNC(=O)CBr OR323192 [0,1,0,0,0,1|0,0,0]=2 82 B9R0.7 CC(=O)CCC(F)=C(F)F PC50005 [0,1,0,0,0,1|2,0,0]=4 83 B9R0.7 CC(=O)SCC(C)C(N)=O OR311103 [0,1,0,0,0,1|1,0,0]=3 84 B9R0.7 CC(CCC(=O)O)C(=O)O OR315231 [0,1,0,0,0,1|1,0,0]=3 85 B9R0.7 O=C(O)CCC(F)=C(F)F PC4456 [0,1,0,0,0,1|2,0,0]=4 86 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] BI2993 [0,1,0,0,0,1|1,0,1]=4 87 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O OR8840 [0,1,0,0,0,1|1,0,0]=3 88 B9R0.53 O=C(O)CC(=O)CC(=O)O OR11107 [0,1,0,0,0,1|1,0,0]=3 89 B9R0.23 COC(=O)[C@@H](N)CC(C)C OR5853 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.24 COC(=O)CCS(=O)OC OR302181 [0,2,0,0,0,0|1,0,0]=3 91 B9R0.48 CCOC(=O)\C=C\C(C)=O OR22026 [0,2,0,0,0,0|0,0,2]=4 92 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O OR313036 [0,2,0,0,0,0|1,0,1]=4 93 B9R0.11 O=C(O)CC(F)(F)C(=O)O PC2890 [0,2,0,0,0,0|1,0,0]=3 94 B9R0.39 CNC(CC(=O)O)C(=O)O OR322308 [0,2,0,0,0,0|1,0,0]=3 95 B9R0.39 CN[C@@H](CC(C)C)C(=O)O OR24700 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O PC53007 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.57 NC(CP(=O)(O)O)C(=O)O OR10671 [0,2,0,0,0,0|2,0,0]=4 98 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O OR10631 [0,2,0,0,0,0|0,0,2]=4 99 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O OR350340 [0,2,0,0,0,0|1,0,0]=3 100 B7R1.2 CN1CCC(=O)C1 OR309136 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.2 C[C@H]1COC(=O)O1 OR315317 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.2 O=C1C[C@@H](O)CN1 OR322659 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.10 N#CC1CC(=O)C1 OR317070 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.10 NCC1CC(=O)C1 OR317088 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.12 CC1CC1C(N)=O OR302522 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.12 O=C(O)C1CC1F PC201153 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400537 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400540 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.12 O=C(O)[C@@H]1C[C@H]1F PC400541 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.12 O=C(O)[C@H]1C[C@@H]1F PC400539 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.12 O=C(O)[C@H]1C[C@H]1F PC400536 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.12 O=C(O)[C@H]1C[C@H]1I OR302646 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.18 O=C(O)C1CCN1 OR309022 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.18 O=C(O)C1CCO1 OR308010 [1,0,0,1,0,0|0,0,2]=4 115 B7R1.18 O=C(O)[C@H]1CCN1 OR317238 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.35 CC(=O)C1CCC(=O)O1 OR22581 [0,0,0,1,0,1|0,0,0]=2 117 B9R1.35 CC1NC(C(=O)O)CS1 OR24669 [0,0,0,1,0,1|1,0,1]=4 118 B9R1.35 NC(=O)C1CNC(=O)C1 OR300643 [0,0,0,1,0,1|1,0,0]=3 119 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 OR450007 [0,0,0,1,0,1|1,0,1]=4 120 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 PC5718 [0,0,0,1,0,1|1,0,1]=4 121 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 PC5719 [0,0,0,1,0,1|1,0,1]=4 122 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 PC4474 [0,0,0,1,0,1|1,0,1]=4 123 B9R1.35 O=C1CC(C(=O)O)CN1 OR315602 [0,0,0,1,0,1|0,0,0]=2 124 B9R1.35 O=C1CCC(C(=O)O)N1 OR350322 [0,0,0,1,0,1|1,0,0]=3 125 B9R1.35 O=C1CN[C@H](C(=O)O)C1 OR309140 [0,0,0,1,0,1|0,0,0]=2 126 B9R1.35 O=C1NCC(C(=O)O)N1 OR24950 [0,0,0,1,0,1|1,0,0]=3 127 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 OR317294 [0,0,0,1,0,1|1,0,1]=4 128 B9R1.85 O=C(O)CCNC1CC1 OR471206 [0,0,0,1,0,1|1,0,1]=4 129 B9R1.10 O=C1CCS(=O)(=O)CC1 OR451043 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.69 CN1CCC(=O)NC1=O OR24703 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.82 COC(=O)C1CC(C)O1 OR309116 [0,1,0,1,0,0|0,0,2]=4 132 B9R1.82 COC(=O)C1CC(Cl)C1 OR317129 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.82 COC(=O)C1CC(O)C1 OR317062 [0,1,0,1,0,0|0,0,2]=4 134 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 OR309109 [0,1,0,1,0,0|0,0,2]=4 135 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 OR317056 [0,1,0,1,0,0|1,0,1]=4 136 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 OR317100 [0,1,0,1,0,0|0,0,2]=4 137 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 OR317065 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 OR317126 [0,1,0,1,0,0|0,0,2]=4 139 B9R1.95 O=C(O)C1CC(CBr)C1 OR315585 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.95 O=C(O)C1CC(CO)C1 OR308104 [0,1,0,1,0,0|0,0,2]=4 141 B9R1.112 NC(CC1CC1)C(=O)O OR451166 [0,1,0,1,0,0|1,0,1]=4 142 B9R1.112 N[C@@H](CC1CC1)C(=O)O OR451083 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.112 N[C@H](CC1CC1)C(=O)O OR451082 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 PC402117 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.164 O=C(O)C1CC(F)(F)C1 PC400716 [0,1,0,1,0,0|1,0,1]=4 146 B5R0.5 C=C(F)C(=O)O PC4962 [0,0,0,0,2,0|1,0,1]=4 147 B5R0.5 CC(F)C(=O)O PC1057 [0,0,0,0,2,0|1,0,1]=4 148 B5R0.5 O=C(F)C(=O)F PC5364 [0,0,0,0,2,0|2,0,0]=4 149 B9R0.55 CC(=O)NCCCC(=O)O OR22610 [0,0,0,0,0,2|0,0,0]=2