0 B11R0.62 CCCC(=O)CNC(=O)CCC Amb24072047 [0,0,0,0,0,0|3,0,0]=3 1 B11R0.62 CCCC(=O)NNC(=O)CCC Amb22261491 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.62 CCNC(=O)NNC(=O)NCC Amb22369210 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.62 CCOC(=O)CNC(=O)OCC Amb17868849 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.62 CCOC(=O)N=NC(=O)OCC Amb10807487 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.62 CCOC(=O)NNC(=O)NCC Amb22340243 [0,0,0,0,0,0|3,0,0]=3 6 B11R0.62 CCOC(=O)\N=C\C(=O)OCC Amb24103456 [0,0,0,0,0,0|1,0,1]=2 7 B11R0.62 CCOC(=S)SCC(=O)OCC Amb10808592 [0,0,0,0,0,0|1,1,0]=2 8 B10R0.1 CCNC(=O)CCNCCC Amb18797397 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.1 CCOC(=O)CCCOCC Amb22336385 [1,0,0,0,0,0|0,0,1]=2 10 B10R0.1 CCOC(=O)CCNCCN Amb18792258 [1,0,0,0,0,0|3,0,0]=4 11 B10R0.1 CCOC(=O)CCSCCN Amb18178450 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.1 CCOC(=O)CC\C=C\C#C Amb10605298 [1,0,0,0,0,0|1,0,2]=4 13 B10R0.1 NCCCCCC(=O)OCC Amb10553125 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.108 CC#CC(=O)NCC(=O)CC Amb25794976 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.108 CCC(=O)NCC(=O)NOC Amb24755839 [1,0,0,0,0,0|3,0,0]=4 16 B10R0.108 CCC(N)=NNC(=O)OCC Amb24764594 [1,0,0,0,0,0|3,0,0]=4 17 B10R0.108 CCCC(=O)C#CC(=O)OC Amb25092930 [1,0,0,0,0,0|1,0,2]=4 18 B10R0.108 CCNC(=N)NCC(=O)OC Amb18797510 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.108 CCNC(=O)CCC(=O)NN Amb24762607 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.108 CCNC(=O)CNC(=N)CC Amb25379690 [1,0,0,0,0,0|3,0,0]=4 21 B10R0.108 CCNC(=O)CNC(=O)CBr Amb24754625 [1,0,0,0,0,0|3,0,0]=4 22 B10R0.108 CCNC(=O)CNC(=O)CC Amb25379498 [1,0,0,0,0,0|2,0,0]=3 23 B10R0.108 CCNC(=O)NNC(=O)CC Amb25054745 [1,0,0,0,0,0|3,0,0]=4 24 B10R0.108 CCNC(=O)\C=C/C(=O)OC Amb25384803 [1,0,0,0,0,0|1,0,2]=4 25 B10R0.108 CCOC(=O)/C=C/C(=O)O[K] Amb17949607 [1,0,0,0,0,0|1,0,2]=4 26 B10R0.108 CCOC(=O)C#CC(=O)CC Amb25353697 [1,0,0,0,0,0|0,0,2]=3 27 B10R0.108 CCOC(=O)CCC(=O)CBr Amb17406254 [1,0,0,0,0,0|1,0,0]=2 28 B10R0.108 CCOC(=O)CCC(=O)CCl Amb22395166 [1,0,0,0,0,0|1,0,0]=2 29 B10R0.108 CCOC(=O)CNC(=O)C#C Amb18791627 [1,0,0,0,0,0|1,0,2]=4 30 B10R0.108 CCOC(=O)CNC(=O)C#N Amb24766549 [1,0,0,0,0,0|2,0,1]=4 31 B10R0.108 CCOC(=O)CNC(=O)CC Amb17775264 [1,0,0,0,0,0|1,0,0]=2 32 B10R0.108 CCOC(=O)CNC(=O)NN Amb25385972 [1,0,0,0,0,0|3,0,0]=4 33 B10R0.108 CCOC(=O)CNC(=O)NO Amb25384490 [1,0,0,0,0,0|3,0,0]=4 34 B10R0.108 CCOC(=O)CNC(=O)OC Amb13952620 [1,0,0,0,0,0|1,0,0]=2 35 B10R0.108 CCOC(=O)NNC(=O)CCl Amb25385127 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.108 CCOC(=O)\C=C\C(=O)NC Amb25382507 [1,0,0,0,0,0|1,0,2]=4 37 B10R0.108 CCOC(=O)\C=C\C(=O)O[Tl] Amb22346862 [1,0,0,0,0,0|1,0,2]=4 38 B10R0.108 CNC(=N)NCC(=O)OCC Amb18797506 [1,0,0,0,0,0|3,0,0]=4 39 B10R0.108 CNC(=O)CCC(=O)NCC Amb24762701 [1,0,0,0,0,0|2,0,0]=3 40 B10R0.108 CNC(=O)CNC(=O)CCC Amb25379481 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.108 CNC(=O)CNC(=O)NCC Amb25798003 [1,0,0,0,0,0|3,0,0]=4 42 B10R0.108 COC(=O)CNC(=O)CCBr Amb17328425 [1,0,0,0,0,0|3,0,0]=4 43 B10R0.108 COC(=O)CNC(=O)CCCl Amb1131800 [1,0,0,0,0,0|3,0,0]=4 44 B10R0.108 COC(=O)CNC(=O)CCN Amb22551883 [1,0,0,0,0,0|3,0,0]=4 45 B10R0.108 COC(=O)CNC(=O)NOC Amb25382883 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.108 COC(=O)\C=C\C(=O)OCC Amb24120377 [1,0,0,0,0,0|0,0,2]=3 47 B10R0.108 CONC(=O)CNC(=O)OC Amb24751022 [1,0,0,0,0,0|3,0,0]=4 48 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC Amb1123761 [0,1,0,0,0,0|1,0,1]=3 49 B12R0.69 CCCC(=O)N(C)CC(=O)OCC Amb19059114 [0,1,0,0,0,0|2,0,0]=3 50 B12R0.69 CCOC(=O)C(S)CC(=O)OCC Amb22372038 [0,1,0,0,0,0|0,0,0]=1 51 B12R0.69 CCOC(=O)CC(=C)C(=O)OCC Amb15692707 [0,1,0,0,0,0|0,0,1]=2 52 B12R0.69 CCOC(=O)CC(=O)C(=O)OCC Amb10603616 [0,1,0,0,0,0|0,0,1]=2 53 B12R0.69 CCOC(=O)CC(=O)C(=O)OCC Amb22898981 [0,1,0,0,0,0|0,0,1]=2 54 B12R0.69 CCOC(=O)CC(C(=O)OCC)N Amb17594907 [0,1,0,0,0,0|0,0,0]=1 55 B12R0.69 CCOC(=O)[C@@H](N)CC(=O)OCC Amb22230805 [0,1,0,0,0,0|0,0,0]=1 56 B12R0.69 CCOC(=O)[C@H](N)CC(=O)OCC Amb22230510 [0,1,0,0,0,0|0,0,0]=1 57 B12R0.69 CCOC(=O)\C(\Cl)=C/C(=O)OCC Amb22055090 [0,1,0,0,0,0|0,0,2]=3 58 B12R0.69 CCOC(=O)\C=C(\C(=O)OCC)/O Amb16230916 [0,1,0,0,0,0|0,0,2]=3 59 B12R0.69 COCC(=O)N(C)CC(=O)OCC Amb18324262 [0,1,0,0,0,0|3,0,0]=4 60 B12R0.69 ClCCC(=O)NC(C(=O)OCC)C Amb17323364 [0,1,0,0,0,0|3,0,0]=4 61 B12R0.79 CN(CCC(=O)OCC)C(=O)CC Amb19076456 [0,1,0,0,0,0|3,0,0]=4 62 B12R0.101 CCCCC(=S)NCC(=O)OCC Amb10563145 [0,1,0,0,0,0|2,1,0]=4 63 B12R0.101 CCCNC(=O)NNC(=O)OCC Amb2389251 [0,1,0,0,0,0|3,0,0]=4 64 B12R0.101 CCOC(=O)CNC(=O)NCC=C Amb2136470 [0,1,0,0,0,0|2,0,1]=4 65 B12R0.101 CCOC(=O)CNC(=O)NCCCl Amb24090360 [0,1,0,0,0,0|2,0,0]=3 66 B12R0.101 ClCCCC(=O)NCC(=O)OCC Amb17327118 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.17 CC1CC(CCN1)C(=O)OCC Amb24342015 [0,0,0,1,0,0|2,0,1]=4 68 B12R1.17 CC1CC(CCO1)C(=O)CCC Amb24646641 [0,0,0,1,0,0|2,0,1]=4 69 B12R1.17 CC1CCCC(C1)C(=O)OCC Amb24524863 [0,0,0,1,0,0|2,0,1]=4 70 B12R1.17 CC=1C[C@@H](NCC1)C(=O)OCC Amb24429072 [0,0,0,1,0,0|3,0,0]=4 71 B12R1.17 CC=1C[C@H](NCC1)C(=O)OCC Amb25299476 [0,0,0,1,0,0|3,0,0]=4 72 B12R1.17 CCCC(=O)N1CC(=O)NCC1 Amb18806465 [0,0,0,1,0,0|3,0,0]=4 73 B12R1.17 CCNC(=O)N1CCNC(=O)C1 Amb18806866 [0,0,0,1,0,0|3,0,0]=4 74 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 Amb24393606 [0,0,0,1,0,0|3,0,0]=4 75 B12R1.17 CCOC(=C)C1CC(=O)CCC1 Amb24553540 [0,0,0,1,0,0|2,0,0]=3 76 B12R1.17 CCOC(=O)C1CC(=O)C=CO1 Amb21963908 [0,0,0,1,0,0|2,0,1]=4 77 B12R1.17 CCOC(=O)C1CC(=O)CCO1 Amb22001618 [0,0,0,1,0,0|2,0,0]=3 78 B12R1.17 CCOC(=O)C1CC(=O)NCC1 Amb24066473 [0,0,0,1,0,0|1,0,0]=2 79 B12R1.17 CCOC(=O)C1CCCC(=S)N1 Amb25378933 [0,0,0,1,0,0|2,1,0]=4 80 B12R1.17 CCOC(=O)C1CCCC(Br)C1 Amb25799197 [0,0,0,1,0,0|2,0,1]=4 81 B12R1.17 CCOC(=O)C1CCCC(N)C1 Amb19002361 [0,0,0,1,0,0|2,0,1]=4 82 B12R1.17 CCOC(=O)C1CCCC(O)C1 Amb21964175 [0,0,0,1,0,0|1,0,2]=4 83 B12R1.17 CCOC(=O)C1CCCN(C1)N Amb10607382 [0,0,0,1,0,0|3,0,0]=4 84 B12R1.17 CCOC(=O)C1CN(N)CCC1 Amb22490351 [0,0,0,1,0,0|3,0,0]=4 85 B12R1.17 CCOC(=O)C=1CC(=O)CCC1 Amb24378463 [0,0,0,1,0,0|1,0,2]=4 86 B12R1.17 CCOC(=O)N1CC(=O)CCC1 Amb22001757 [0,0,0,1,0,0|2,0,0]=3 87 B12R1.17 CCOC(=O)N1CC(=O)NCC1 Amb18807310 [0,0,0,1,0,0|2,0,0]=3 88 B12R1.17 CCOC(=O)N1CC(Br)=CCC1 Amb25345748 [0,0,0,1,0,0|3,0,0]=4 89 B12R1.17 CCOC(=O)N1CCN=C(N)C1 Amb24594124 [0,0,0,1,0,0|3,0,0]=4 90 B12R1.17 CCOC(=O)N1CCOC(=O)C1 Amb24101050 [0,0,0,1,0,0|1,0,0]=2 91 B12R1.17 CCOC(=O)[C@@H]1CC(=C)CCN1 Amb25152348 [0,0,0,1,0,0|3,0,0]=4 92 B12R1.17 CCOC(=O)[C@@H]1CC(=O)C=CN1 Amb24744164 [0,0,0,1,0,0|2,0,1]=4 93 B12R1.17 CCOC(=O)[C@@H]1CC(=O)CCO1 Amb24532710 [0,0,0,1,0,0|2,0,0]=3 94 B12R1.17 CCOC(=O)[C@@H]1CCCC(=O)N1 Amb24532607 [0,0,0,1,0,0|2,0,0]=3 95 B12R1.17 CCOC(=O)[C@@H]1CN(C)CCC1 Amb24495898 [0,0,0,1,0,0|3,0,0]=4 96 B12R1.17 CCOC(=O)[C@H]1CCCC(=S)N1 Amb24743302 [0,0,0,1,0,0|2,1,0]=4 97 B12R1.17 CCOC(=O)[C@H]1CN(C)CCC1 Amb20241487 [0,0,0,1,0,0|3,0,0]=4 98 B12R1.17 CCOC(=O)[C@H]1CN(N)CCC1 Amb25806265 [0,0,0,1,0,0|3,0,0]=4 99 B12R1.17 CONC(=O)C1CC(=O)NCC1 Amb25295740 [0,0,0,1,0,0|3,0,0]=4 100 B12R1.17 C\C=C\C(=O)C1CC(=O)CCC1 Amb24563511 [0,0,0,1,0,0|2,0,1]=4 101 B12R1.51 CCOC(=O)CCC1OCCO1 Amb24532765 [0,0,0,1,0,0|0,0,2]=3 102 B12R1.51 CCOC(=O)CN=C1NCCS1 Amb22469859 [0,0,0,1,0,0|2,1,0]=4 103 B12R1.51 CCOC(=O)CSC=1NCCN1 Amb22473620 [0,0,0,1,0,0|3,0,0]=4 104 B12R1.206 O=C1CCC(=O)CCCCCC1 Amb25294442 [0,0,0,1,0,0|2,0,0]=3 105 B12R1.206 O=C1CCCCCOC(=O)C=C1 Amb25768593 [0,0,0,1,0,0|1,0,2]=4 106 B12R1.313 CC1=C(CC(=O)N1)C(=O)OCC Amb2427802 [0,0,0,1,0,0|1,0,2]=4 107 B12R1.313 CC1=CC(=O)NC1C(=O)OCC Amb25784576 [0,0,0,1,0,0|2,0,1]=4 108 B12R1.313 CC1NC(=O)CC1C(=O)OCC Amb24356753 [0,0,0,1,0,0|1,0,0]=2 109 B12R1.313 CC1OC(=S)NC1C(=O)OCC Amb25683394 [0,0,0,1,0,0|1,1,0]=3 110 B12R1.313 CCCC(=O)C1CC(C)OC1C Amb24536354 [0,0,0,1,0,0|2,0,1]=4 111 B12R1.313 CCOC(=O)C1CC(=O)NC1=O Amb22371079 [0,0,0,1,0,0|2,0,1]=4 112 B12R1.313 CCOC(=O)N1CC(=O)CC1C Amb22755665 [0,0,0,1,0,0|2,0,0]=3 113 B12R1.313 C[C@@H]1CC(=O)N[C@@H]1C(=O)OCC Amb25296342 [0,0,0,1,0,0|2,0,0]=3 114 B12R1.313 C[C@@H]1OC(=O)N[C@@H]1C(=O)OCC Amb24759149 [0,0,0,1,0,0|1,0,0]=2 115 B12R1.313 C[C@H]1CC(=O)N[C@@H]1C(=O)OCC Amb24618705 [0,0,0,1,0,0|2,0,0]=3 116 B12R1.318 CCCC(=O)NC1CCOC1=O Amb22363052 [0,0,0,1,0,0|2,0,0]=3 117 B12R1.318 CCCC(=O)N[C@@H]1CCOC1=O Amb22744818 [0,0,0,1,0,0|2,0,0]=3 118 B12R1.318 CCNC(=O)CN1CCSC1=O Amb24719489 [0,0,0,1,0,0|2,1,0]=4 119 B12R1.318 CCNC(=O)N[C@H]1CCOC1=O Amb25190368 [0,0,0,1,0,0|2,0,0]=3 120 B12R1.318 CCNC(=S)NC1CCOC1=O Amb25817472 [0,0,0,1,0,0|2,1,0]=4 121 B12R1.318 CCNC(=S)N[C@H]1CCOC1=O Amb25226131 [0,0,0,1,0,0|2,1,0]=4 122 B12R1.318 CCOC(=O)NC1CCOC1=O Amb24574056 [0,0,0,1,0,0|1,0,0]=2 123 B12R1.318 CCOC(=O)NC1CONC1=O Amb24497303 [0,0,0,1,0,0|3,0,0]=4 124 B12R1.318 CCOC(=O)NC1CSCC1=O Amb25770523 [0,0,0,1,0,0|3,0,0]=4 125 B12R1.318 CCOC(=O)\C=C/1\CCCC1=O Amb24722973 [0,0,0,1,0,0|1,0,2]=4 126 B12R1.318 CCOC(=O)\C=C\1/CCCC1=O Amb25066318 [0,0,0,1,0,0|1,0,2]=4 127 B12R1.318 CCSC(=O)NC1CCSC1=O Amb22437618 [0,0,0,1,0,0|1,2,0]=4 128 B12R1.318 CNCC(=O)NC1CCOC1=O Amb25848134 [0,0,0,1,0,0|3,0,0]=4 129 B12R1.318 COCC(=O)N[C@H]1CCOC1=O Amb24749349 [0,0,0,1,0,0|3,0,0]=4 130 B12R1.318 C\C=C\C(=O)NC1CCOC1=O Amb25106486 [0,0,0,1,0,0|2,0,1]=4 131 B12R1.318 C\C=C\C(=O)N[C@H]1CCOC1=O Amb24525684 [0,0,0,1,0,0|2,0,1]=4 132 B12R1.318 NCCC(=O)N[C@H]1CCOC1=O Amb25682638 [0,0,0,1,0,0|3,0,0]=4 133 B12R1.318 O=C1OCCC1NC(=O)CCBr Amb25729680 [0,0,0,1,0,0|3,0,0]=4 134 B12R1.467 CC1CC(C1)CCC(=O)OCC Amb23456219 [0,0,0,1,0,0|2,0,1]=4 135 B12R1.2586 CCOP1(=O)NCC(=O)NC1C Amb25733441 [0,0,0,1,0,0|3,0,0]=4 136 B10R0.2 CC#CC(=O)CC(=O)OCC Amb24766740 [0,0,0,0,1,0|1,0,1]=3 137 B10R0.2 CC(CC(=O)OCC)SCC Amb18804594 [0,0,0,0,1,0|1,1,1]=4 138 B10R0.2 CC(CCC)=CC(=O)OCC Amb22230723 [0,0,0,0,1,0|2,0,1]=4 139 B10R0.2 CCCC(=O)NC(=O)CCC Amb25385979 [0,0,0,0,1,0|3,0,0]=4 140 B10R0.2 CCCC(=O)NC(=O)OCC Amb25385791 [0,0,0,0,1,0|2,0,0]=3 141 B10R0.2 CCCC(=O)NC(=O)SCC Amb25384444 [0,0,0,0,1,0|2,1,0]=4 142 B10R0.2 CCCC(CC(=O)OCC)N Amb10607611 [0,0,0,0,1,0|2,0,1]=4 143 B10R0.2 CCCC(CC(=O)OCC)O Amb10807459 [0,0,0,0,1,0|1,0,2]=4 144 B10R0.2 CCCC(N)CC(=O)OCC Amb22586906 [0,0,0,0,1,0|2,0,1]=4 145 B10R0.2 CCNC(=O)CC(=O)NCC Amb2099640 [0,0,0,0,1,0|2,0,0]=3 146 B10R0.2 CCNC(=S)CC(=O)NCC Amb25385285 [0,0,0,0,1,0|2,1,0]=4 147 B10R0.2 CCN\C(=C\C(=O)OCC)\C Amb10602305 [0,0,0,0,1,0|2,0,1]=4 148 B10R0.2 CCOC(=N)CC(=N)OCC Amb20655813 [0,0,0,0,1,0|2,0,0]=3 149 B10R0.2 CCOC(=N)CC(=N)OCC Amb21857173 [0,0,0,0,1,0|2,0,0]=3 150 B10R0.2 CCOC(=N)CC(=O)OCC Amb1102037 [0,0,0,0,1,0|1,0,0]=2 151 B10R0.2 CCOC(=O)CC(=O)CC#N Amb10070791 [0,0,0,0,1,0|2,0,1]=4 152 B10R0.2 CCOC(=O)NC(=N)OCC Amb24766330 [0,0,0,0,1,0|2,0,0]=3 153 B10R0.2 CCOC(=O)NC(=O)CCCl Amb24767127 [0,0,0,0,1,0|3,0,0]=4 154 B10R0.2 CCOC(=O)NC(=S)CCC Amb25385929 [0,0,0,0,1,0|2,1,0]=4 155 B10R0.2 CCOC(=O)NC(=S)NCC Amb25729862 [0,0,0,0,1,0|2,1,0]=4 156 B10R0.2 CCOC(=O)[13CH2]C(=O)OCC Amb22336357 [0,0,0,0,1,0|0,0,0]=1 157 B10R0.2 CCOC(=O)[CH-]C(=O)OCC Amb22346257 [0,0,0,0,1,0|0,0,1]=2 158 B10R0.2 CCOC(=S)NC(=N)OCC Amb24766542 [0,0,0,0,1,0|2,1,0]=4 159 B10R0.2 CCOC(=S)NC(=O)OCC Amb25384430 [0,0,0,0,1,0|1,1,0]=3 160 B10R0.2 CCOC(=S)NC(=S)OCC Amb25385734 [0,0,0,0,1,0|1,2,0]=4 161 B10R0.2 CCO[13C](=O)C[13C](=O)OCC Amb22336530 [0,0,0,0,1,0|0,0,0]=1 162 B10R0.2 CCO[13C](=O)[13CH2][13C](=O)OCC Amb22055091 [0,0,0,0,1,0|0,0,0]=1 163 B10R0.2 CCO\C(=C/C(=O)OCC)\C Amb10069570 [0,0,0,0,1,0|1,0,1]=3 164 B10R0.2 CCSC(=N)NC(=O)OCC Amb25384763 [0,0,0,0,1,0|2,1,0]=4 165 B10R0.2 CCSC(=O)NC(=O)SCC Amb25384734 [0,0,0,0,1,0|1,2,0]=4 166 B10R0.2 CCSC(=S)NC(=O)OCC Amb25385703 [0,0,0,0,1,0|1,2,0]=4 167 B10R0.2 COCC(=O)NC(=O)OCC Amb25384736 [0,0,0,0,1,0|3,0,0]=4 168 B10R0.2 C\C(=C/CC)\NC(=O)OCC Amb24484585 [0,0,0,0,1,0|3,0,0]=4 169 B10R0.2 C\C(=C\C(=O)OCC)\NCC Amb20621200 [0,0,0,0,1,0|2,0,1]=4 170 B10R0.2 C\C(=N/C(=O)OCC)\OCC Amb23569348 [0,0,0,0,1,0|2,0,0]=3 171 B10R0.2 C\C(\CCC)=C\C(=O)OCC Amb22727870 [0,0,0,0,1,0|2,0,1]=4 172 B12R0.285 CCCC(=O)NCCC(=O)OCC Amb19076451 [0,0,0,0,0,1|1,0,0]=2 173 B12R0.285 CCOC(=O)C=CCC(=O)OCC Amb22230542 [0,0,0,0,0,1|0,0,1]=2 174 B12R0.285 CCOC(=O)CSCC(=O)NCC Amb21618522 [0,0,0,0,0,1|1,0,0]=2 175 B12R0.285 CCOC(=O)NCNC(=O)OCC Amb1144511 [0,0,0,0,0,1|1,0,0]=2 176 B12R0.285 CCOC(=O)\C=C\CC(=O)OCC Amb22730501 [0,0,0,0,0,1|0,0,1]=2 177 B12R0.285 CCO[13C](=O)[13CH2][13CH2][13CH2][13C](=O)OCC Amb22338935 [0,0,0,0,0,1|0,0,0]=1 178 B12R0.285 COCC(=O)NCCC(=O)OCC Amb18330077 [0,0,0,0,0,1|2,0,0]=3 179 B9R0.5 CCCC(=O)CCNCC Amb24568186 [2,0,0,0,0,0|2,0,0]=4 180 B9R0.5 CCCC(=O)CCOCC Amb25203937 [2,0,0,0,0,0|1,0,0]=3 181 B9R0.5 CCCC(=O)C\C=C\OC Amb25282754 [2,0,0,0,0,0|1,0,1]=4 182 B9R0.5 CCCCCC(=O)OCCl Amb24568887 [2,0,0,0,0,0|1,0,1]=4 183 B9R0.5 CCCCNC(=O)OCC Amb10552892 [2,0,0,0,0,0|1,0,1]=4 184 B9R0.5 CCC\C=C\C(=O)OCC Amb22001054 [2,0,0,0,0,0|1,0,1]=4 185 B9R0.5 CCNC(=O)CCNCC Amb20171977 [2,0,0,0,0,0|2,0,0]=4 186 B9R0.5 CCNC(=O)CCNOC Amb25663026 [2,0,0,0,0,0|2,0,0]=4 187 B9R0.5 CCOC(=O)C#COCC Amb25074989 [2,0,0,0,0,0|0,0,2]=4 188 B9R0.5 CCOC(=O)CC#CCC Amb25057125 [2,0,0,0,0,0|0,0,2]=4 189 B9R0.5 CCOC(=O)CCC#CC Amb17939773 [2,0,0,0,0,0|0,0,2]=4 190 B9R0.5 CCOC(=O)CCCCCl Amb24445064 [2,0,0,0,0,0|1,0,1]=4 191 B9R0.5 CCOC(=O)CCCCN Amb19957938 [2,0,0,0,0,0|1,0,1]=4 192 B9R0.5 CCOC(=O)CCCCS Amb25246862 [2,0,0,0,0,0|1,0,1]=4 193 B9R0.5 CCOC(=O)CCCSC Amb25058939 [2,0,0,0,0,0|0,1,1]=4 194 B9R0.5 CCOC(=O)CCOC=C Amb25136518 [2,0,0,0,0,0|0,0,2]=4 195 B9R0.5 CCOC(=O)CCSCCl Amb25109198 [2,0,0,0,0,0|1,1,0]=4 196 B9R0.5 CCOC(=O)C\C=C\CCl Amb25074462 [2,0,0,0,0,0|1,0,1]=4 197 B9R0.5 CCOC(=O)NCCOC Amb17792634 [2,0,0,0,0,0|1,0,1]=4 198 B9R0.5 CCOC(=O)\C=C/OCC Amb24605673 [2,0,0,0,0,0|0,0,1]=3 199 B9R0.5 CCOC(=O)\C=C\NCC Amb22732261 [2,0,0,0,0,0|1,0,1]=4 200 B9R0.5 CCOC=NC(=O)OCC Amb25207372 [2,0,0,0,0,0|1,0,0]=3 201 B9R0.5 CCOCCC(=O)CSC Amb18798154 [2,0,0,0,0,0|2,0,0]=4 202 B9R0.5 CCOCNC(=O)OCC Amb25117140 [2,0,0,0,0,0|1,0,0]=3 203 B9R0.5 CCO\C=C\C(=O)CCC Amb24746824 [2,0,0,0,0,0|1,0,1]=4 204 B9R0.5 CCO\C=N\C(=O)OCC Amb23569349 [2,0,0,0,0,0|1,0,0]=3 205 B9R0.5 CC\C=C\CC(=O)OCC Amb10071538 [2,0,0,0,0,0|0,0,1]=3 206 B9R0.5 COCSCC(=O)OCC Amb24482667 [2,0,0,0,0,0|1,0,1]=4 207 B9R0.5 C\C=C/CCC(=O)CCC Amb24698913 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.5 C\C=C\C(=O)CCOCC Amb24676741 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.5 C\C=C\CCC(=O)NCC Amb25338258 [2,0,0,0,0,0|1,0,1]=4 210 B9R0.5 C\C=C\CCC(=O)OCC Amb25242775 [2,0,0,0,0,0|0,0,1]=3 211 B9R0.5 C\C=C\CNC(=O)OCC Amb24514997 [2,0,0,0,0,0|1,0,1]=4 212 B9R0.5 NCCCCC(=O)OCC Amb10807401 [2,0,0,0,0,0|1,0,1]=4 213 B9R0.5 OCCCCC(=O)OCC Amb17593658 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.45 CCC=CCCC=CCC Amb22229107 [2,0,0,0,0,0|2,0,0]=4 215 B9R0.45 CCOCCCCOCC Amb10807403 [2,0,0,0,0,0|0,0,2]=4 216 B9R0.45 CCONCC\C=C\CC Amb25092449 [2,0,0,0,0,0|2,0,0]=4 217 B9R0.45 CC\C=C\CC\C=C\CC Amb24558322 [2,0,0,0,0,0|2,0,0]=4 218 B9R0.46 CCCNCCC(=O)CC Amb25366402 [2,0,0,0,0,0|2,0,0]=4 219 B9R0.46 CCNCCCC(=O)OC Amb22886193 [2,0,0,0,0,0|1,0,1]=4 220 B9R0.46 CCOCCCC(=O)CN Amb25333891 [2,0,0,0,0,0|1,0,1]=4 221 B9R0.46 CCOCCCC(=O)NC Amb25736237 [2,0,0,0,0,0|1,0,1]=4 222 B9R0.46 CC\C=C\CCC(=O)OC Amb25350136 [2,0,0,0,0,0|1,0,0]=3 223 B9R0.46 CC\C=C\CNC(=O)OC Amb24577900 [2,0,0,0,0,0|2,0,0]=4 224 B9R0.46 COC(=N)CCCOCC Amb24597184 [2,0,0,0,0,0|1,0,1]=4 225 B9R0.46 COC(=O)CCNOCC Amb24739231 [2,0,0,0,0,0|1,0,0]=3 226 B9R0.46 COC(=O)CC\C=C\CBr Amb25076169 [2,0,0,0,0,0|2,0,0]=4 227 B9R0.46 COC(=O)C\C=C\OCCl Amb24622495 [2,0,0,0,0,0|1,0,1]=4 228 B9R0.46 COC(=O)NCCOCC Amb25851319 [2,0,0,0,0,0|1,0,1]=4 229 B9R0.24 BrCC(=O)CCC(=O)OC Amb17403793 [2,0,0,0,0,0|1,0,0]=3 230 B9R0.24 BrCC(=O)NCC(=O)OC Amb17329958 [2,0,0,0,0,0|2,0,0]=4 231 B9R0.24 CCC(=C)CNC(=O)CC Amb24339353 [2,0,0,0,0,0|2,0,0]=4 232 B9R0.24 CCC(=C)CNC(=O)OC Amb24339405 [2,0,0,0,0,0|2,0,0]=4 233 B9R0.24 CCC(=O)C#CC(=O)CC Amb25146883 [2,0,0,0,0,0|0,0,2]=4 234 B9R0.24 CCC(=O)C#CC(=O)OC Amb25042967 [2,0,0,0,0,0|0,0,2]=4 235 B9R0.24 CCC(=O)CCC(=O)C=C Amb25146819 [2,0,0,0,0,0|0,0,2]=4 236 B9R0.24 CCC(=O)CCC(=O)OC Amb24369355 [2,0,0,0,0,0|0,0,0]=2 237 B9R0.24 CCC(=O)CCC(C)OC Amb25147751 [2,0,0,0,0,0|1,0,1]=4 238 B9R0.24 CCC(=O)CNC(=O)CC Amb24505115 [2,0,0,0,0,0|1,0,0]=3 239 B9R0.24 CCC(=O)CNC(=O)CCl Amb24725631 [2,0,0,0,0,0|2,0,0]=4 240 B9R0.24 CCC(=O)CNC(=O)OC Amb25782037 [2,0,0,0,0,0|1,0,0]=3 241 B9R0.24 CCC(=O)NNC(=O)CC Amb22347723 [2,0,0,0,0,0|2,0,0]=4 242 B9R0.24 CCC(=O)NNC(=O)OC Amb24674682 [2,0,0,0,0,0|2,0,0]=4 243 B9R0.24 CCC(=O)OCC(=O)NC Amb25355366 [2,0,0,0,0,0|2,0,0]=4 244 B9R0.24 CCC(=O)\C=C/C(=O)CC Amb24708993 [2,0,0,0,0,0|0,0,2]=4 245 B9R0.24 CCC(=O)\C=C\C(=O)OC Amb24617859 [2,0,0,0,0,0|0,0,2]=4 246 B9R0.24 CCC(C)CCC(=O)OC Amb25690993 [2,0,0,0,0,0|1,0,1]=4 247 B9R0.24 CCC(O)CCC(=O)OC Amb25850223 [2,0,0,0,0,0|0,0,2]=4 248 B9R0.24 CCN(O)CCC(=O)OC Amb24763933 [2,0,0,0,0,0|1,0,1]=4 249 B9R0.24 CCS(=O)CCC(=O)OC Amb18788300 [2,0,0,0,0,0|1,0,0]=3 250 B9R0.24 CCS(=O)NCC(=O)OC Amb25273849 [2,0,0,0,0,0|2,0,0]=4 251 B9R0.24 CC[C@@H](O)CCC(=O)OC Amb24561650 [2,0,0,0,0,0|0,0,2]=4 252 B9R0.24 CC[C@H](O)CCC(=O)OC Amb24377641 [2,0,0,0,0,0|0,0,2]=4 253 B9R0.24 CN(CCC(=O)CC)CC Amb25225879 [2,0,0,0,0,0|2,0,0]=4 254 B9R0.24 CNC(=O)CCC(=O)OC Amb17399893 [2,0,0,0,0,0|1,0,0]=3 255 B9R0.24 CNC(=O)CNC(=O)OC Amb24457364 [2,0,0,0,0,0|2,0,0]=4 256 B9R0.24 CNC(=O)NCC(=O)OC Amb25053562 [2,0,0,0,0,0|2,0,0]=4 257 B9R0.24 COC(=N)CCC(=O)OC Amb17673181 [2,0,0,0,0,0|1,0,0]=3 258 B9R0.24 COC(=O)CCC(=O)C#C Amb25092912 [2,0,0,0,0,0|0,0,2]=4 259 B9R0.24 COC(=O)CCC(=O)C#N Amb24619769 [2,0,0,0,0,0|1,0,1]=4 260 B9R0.24 COC(=O)CCC(=O)CN Amb18202127 [2,0,0,0,0,0|1,0,0]=3 261 B9R0.24 COC(=O)CNC(=O)SC Amb24620395 [2,0,0,0,0,0|1,1,0]=4 262 B9R0.24 COC(=O)COC(=O)CCl Amb24378028 [2,0,0,0,0,0|2,0,0]=4 263 B9R0.24 COC(=O)CSC(=S)OC Amb25133989 [2,0,0,0,0,0|1,1,0]=4 264 B9R0.24 COC(=O)N=NC(=O)OC Amb10807402 [2,0,0,0,0,0|2,0,0]=4 265 B9R0.24 COC(=O)OCC(=O)CC Amb25059695 [2,0,0,0,0,0|1,0,0]=3 266 B9R0.24 COC(=O)OOC(=O)OC Amb22731739 [2,0,0,0,0,0|2,0,0]=4 267 B9R0.24 COC(=O)\C=C\C(=O)OC Amb1789270 [2,0,0,0,0,0|0,0,2]=4 268 B9R0.24 COP(=O)CCC(=O)OC Amb25187314 [2,0,0,0,0,0|1,0,0]=3 269 B9R0.24 COS(=O)CCC(=O)OC Amb22728623 [2,0,0,0,0,0|1,0,0]=3 270 B9R0.24 C[C@@H](CCC(=O)CC)CC Amb24645778 [2,0,0,0,0,0|1,0,1]=4 271 B9R0.24 C[C@H](CCC(=O)CC)CC Amb25094462 [2,0,0,0,0,0|1,0,1]=4 272 B9R0.24 OCC(=O)CCC(=O)CO Amb25358920 [2,0,0,0,0,0|2,0,0]=4 273 B9R0.24 [NH4]OC(=O)CCC(=O)O[NH4] Amb22346144 [2,0,0,0,0,0|2,0,0]=4 274 B9R0.48 CC(=C)CCC(=O)OCC Amb22270105 [2,0,0,0,0,0|1,0,0]=3 275 B9R0.48 CC(=O)CCC(=C)CCC Amb24432180 [2,0,0,0,0,0|2,0,0]=4 276 B9R0.48 CC(=O)CCC(=O)CCBr Amb24381453 [2,0,0,0,0,0|2,0,0]=4 277 B9R0.48 CC(=O)CCC(=O)COC Amb24724049 [2,0,0,0,0,0|2,0,0]=4 278 B9R0.48 CC(=O)CCC(=O)NOC Amb24478126 [2,0,0,0,0,0|2,0,0]=4 279 B9R0.48 CC(=O)CCC(=O)OC=C Amb24633305 [2,0,0,0,0,0|0,0,2]=4 280 B9R0.48 CC(=O)CCC(=O)\C=C\C Amb24691794 [2,0,0,0,0,0|1,0,1]=4 281 B9R0.48 CC(=O)COC(=O)OCC Amb25682129 [2,0,0,0,0,0|1,0,0]=3 282 B9R0.48 CC(=O)NCC(=N)OCC Amb25809883 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.48 CC(=O)NCC(=O)CCC Amb25367834 [2,0,0,0,0,0|2,0,0]=4 284 B9R0.48 CC(=O)NCC(=O)SCC Amb25146289 [2,0,0,0,0,0|1,1,0]=4 285 B9R0.48 CC(=O)OCC(=O)NCC Amb24747778 [2,0,0,0,0,0|2,0,0]=4 286 B9R0.48 CC(=O)OCC(=O)OCC Amb24482663 [2,0,0,0,0,0|1,0,0]=3 287 B9R0.48 CCCS(=O)CCC(C)=O Amb25196510 [2,0,0,0,0,0|2,0,0]=4 288 B9R0.48 CCCS(=O)CCC(O)=O Amb18792575 [2,0,0,0,0,0|2,0,0]=4 289 B9R0.48 CCNC(=O)CCC(=O)C Amb17334212 [2,0,0,0,0,0|1,0,0]=3 290 B9R0.48 CCNC(=O)CCC(=O)Cl Amb17142903 [2,0,0,0,0,0|2,0,0]=4 291 B9R0.48 CCNC(=O)CCC(=O)N Amb17142864 [2,0,0,0,0,0|2,0,0]=4 292 B9R0.48 CCNC(=O)CCS(C)=O Amb24674872 [2,0,0,0,0,0|2,0,0]=4 293 B9R0.48 CCNC(=O)NCC(=O)O Amb1129570 [2,0,0,0,0,0|2,0,0]=4 294 B9R0.48 CCNC(=O)SCC(O)=O Amb24390827 [2,0,0,0,0,0|2,0,0]=4 295 B9R0.48 CCOC(=O)C#CC(O)=O Amb25087505 [2,0,0,0,0,0|0,0,2]=4 296 B9R0.48 CCOC(=O)CCB(O)O Amb25244100 [2,0,0,0,0,0|1,0,1]=4 297 B9R0.48 CCOC(=O)CCC(=O)O Amb1151260 [2,0,0,0,0,0|0,0,0]=2 298 B9R0.48 CCOC(=O)CCC(C)Br Amb20618752 [2,0,0,0,0,0|1,0,1]=4 299 B9R0.48 CCOC(=O)CCC(C)Cl Amb22229742 [2,0,0,0,0,0|1,0,1]=4 300 B9R0.48 CCOC(=O)CCC(C)N Amb25690130 [2,0,0,0,0,0|1,0,1]=4 301 B9R0.48 CCOC(=O)CCC(N)=N Amb24460710 [2,0,0,0,0,0|2,0,0]=4 302 B9R0.48 CCOC(=O)CCC(N)=S Amb24479705 [2,0,0,0,0,0|1,1,0]=4 303 B9R0.48 CCOC(=O)CCS(C)=O Amb18788306 [2,0,0,0,0,0|1,0,0]=3 304 B9R0.48 CCOC(=O)CCS(O)=O Amb24551974 [2,0,0,0,0,0|1,0,0]=3 305 B9R0.48 CCOC(=O)CC[C@@H](C)N Amb24505134 [2,0,0,0,0,0|1,0,1]=4 306 B9R0.48 CCOC(=O)CC[N+]([O-])=O Amb22739667 [2,0,0,0,0,0|1,0,1]=4 307 B9R0.48 CCOC(=O)CC[S+](C)C Amb25719451 [2,0,0,0,0,0|2,0,0]=4 308 B9R0.48 CCOC(=O)CNC(=O)C Amb1195867 [2,0,0,0,0,0|1,0,0]=3 309 B9R0.48 CCOC(=O)CNC(=O)N Amb2438049 [2,0,0,0,0,0|2,0,0]=4 310 B9R0.48 CCOC(=O)CNS(C)=O Amb24620369 [2,0,0,0,0,0|2,0,0]=4 311 B9R0.48 CCOC(=O)COC(N)=O Amb25147628 [2,0,0,0,0,0|2,0,0]=4 312 B9R0.48 CCOC(=O)CSC(=O)Cl Amb25174187 [2,0,0,0,0,0|2,0,0]=4 313 B9R0.48 CCOC(=O)NCC(=O)Cl Amb25277113 [2,0,0,0,0,0|2,0,0]=4 314 B9R0.48 CCOC(=O)OCC(O)=O Amb25367281 [2,0,0,0,0,0|1,0,0]=3 315 B9R0.48 CCOC(=O)SCC(O)=O Amb24726215 [2,0,0,0,0,0|1,0,0]=3 316 B9R0.48 CCOC(=O)[13CH2][15NH]C(=O)N Amb17614999 [2,0,0,0,0,0|2,0,0]=4 317 B9R0.48 CCOC(=O)\C=C/C(O)=O Amb24462678 [2,0,0,0,0,0|0,0,2]=4 318 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [2,0,0,0,0,0|0,0,2]=4 319 B9R0.48 CCOC(=O)\C=C\C(O)=O Amb22351272 [2,0,0,0,0,0|0,0,2]=4 320 B9R0.48 CCOC(=S)SCC(C)=O Amb17872265 [2,0,0,0,0,0|1,1,0]=4 321 B9R0.48 CCOC(C)CCC(O)=O Amb24690847 [2,0,0,0,0,0|1,0,1]=4 322 B9R0.48 CCOP(=O)CNC(C)=O Amb25260439 [2,0,0,0,0,0|2,0,0]=4 323 B9R0.48 CCO\C(\C)=C/CC(C)=O Amb25713031 [2,0,0,0,0,0|1,0,1]=4 324 B9R0.48 CCSC(=O)CCC(O)=O Amb24482232 [2,0,0,0,0,0|0,1,0]=3 325 B9R0.48 CCSC(=O)NCC(O)=O Amb25295471 [2,0,0,0,0,0|1,1,0]=4 326 B9R0.48 CC\C=C(\C)/CCC(C)=O Amb24511429 [2,0,0,0,0,0|2,0,0]=4 327 B9R0.48 C\C=C\C(=O)CCC(O)=O Amb24620816 [2,0,0,0,0,0|1,0,1]=4 328 B9R0.48 NCCC(=O)CCC(O)=O Amb25790735 [2,0,0,0,0,0|2,0,0]=4 329 B9R0.48 OC(=O)CCC(=O)CCO Amb25265246 [2,0,0,0,0,0|2,0,0]=4 330 B11R0.4 CCCCSCCC(=O)OCC Amb1032991 [1,1,0,0,0,0|1,0,1]=4 331 B11R0.4 CCC\C=C\CCC(=O)OCC Amb22230696 [1,1,0,0,0,0|1,0,0]=3 332 B11R0.4 CCOC(=O)CCCCCCO Amb22230670 [1,1,0,0,0,0|1,0,1]=4 333 B11R0.4 CCOC(=O)CCCOCCI Amb22499114 [1,1,0,0,0,0|0,0,1]=3 334 B11R0.4 CCOC(=O)CCOCCCN Amb18111491 [1,1,0,0,0,0|2,0,0]=4 335 B11R0.4 CCOC(=O)CCOCCNC Amb18111839 [1,1,0,0,0,0|2,0,0]=4 336 B11R0.4 CC\C=C/CCOC(=O)CCC Amb22002436 [1,1,0,0,0,0|2,0,0]=4 337 B11R0.5 CCCCC(CC(=O)OCC)N Amb10607610 [1,1,0,0,0,0|1,0,1]=4 338 B11R0.5 CCCCC(N)CC(=O)OCC Amb22586905 [1,1,0,0,0,0|1,0,1]=4 339 B11R0.5 CCCCC(O)CC(=O)OCC Amb18803977 [1,1,0,0,0,0|1,0,1]=4 340 B11R0.5 CCOCC(=O)CC(=O)OCC Amb19890255 [1,1,0,0,0,0|0,0,2]=4 341 B11R0.81 CCCOC(=O)CCCCCC Amb22167368 [1,1,0,0,0,0|1,0,1]=4 342 B11R0.155 CCCCCC(Br)C(=O)OCC Amb22500132 [1,1,0,0,0,0|1,0,1]=4 343 B11R0.155 CCO\C=C\C(=O)C(=O)OCC Amb17594299 [1,1,0,0,0,0|0,0,2]=4 344 B11R0.174 CCC(=O)NCCC(=O)OCC Amb18807768 [1,1,0,0,0,0|2,0,0]=4 345 B11R0.176 CCOC(=O)CCCOC(=O)C Amb17613918 [1,1,0,0,0,0|0,0,2]=4 346 B11R0.43 CCOC(=O)C(=O)CC(=O)CC Amb1106404 [1,1,0,0,0,0|0,0,1]=3 347 B11R0.70 CCCNC(=O)CCC(=O)OC Amb17400395 [1,1,0,0,0,0|1,0,0]=3 348 B11R0.70 COC(=O)CCC(=O)NCC=C Amb17400349 [1,1,0,0,0,0|1,0,1]=4 349 B11R0.107 COC(=O)CCC(=O)CC(=O)C Amb17334875 [1,1,0,0,0,0|1,0,1]=4 350 B11R0.120 CC[C@@H](N)C(=O)NCC(=O)OC Amb23437872 [1,1,0,0,0,0|2,0,0]=4 351 B11R0.141 CCOC(=N)CNC(=O)C(C)C Amb24103568 [1,1,0,0,0,0|2,0,0]=4 352 B11R0.141 CCOC(=O)CCC(=O)C(F)F Amb21864619 [1,1,0,0,0,0|1,0,0]=3 353 B11R0.141 CCOC(=O)CNC(=O)C(Br)C Amb17328170 [1,1,0,0,0,0|1,0,0]=3 354 B11R0.141 CCOC(=O)CNC(=O)C(Cl)C Amb17329957 [1,1,0,0,0,0|1,0,0]=3 355 B11R0.141 CCOC(=O)\C=N\C(=O)C(C)C Amb24103455 [1,1,0,0,0,0|1,0,1]=4 356 B11R0.187 CCOC(=O)CC(\C(=C\C)\C)O Amb16218121 [1,1,0,0,0,0|1,0,1]=4 357 B11R0.187 CCOC(=O)CN(C)C(=O)CC Amb18794790 [1,1,0,0,0,0|1,0,0]=3 358 B11R0.187 CCOC(=O)CN(C)C(=O)CCl Amb19051422 [1,1,0,0,0,0|2,0,0]=4 359 B11R0.1 CCOC(=O)CC(=O)CC(=O)C Amb16192546 [0,1,0,0,1,0|1,0,1]=4 360 B11R0.1 CCOC(=O)CC(=O)CC(C)C Amb10576271 [0,1,0,0,1,0|1,0,0]=3 361 B11R0.1 CCOC(=O)NC(=O)NC(C)C Amb25276346 [0,1,0,0,1,0|2,0,0]=4 362 B11R0.177 CC(C(=O)OCC)C(=S)NCC Amb22264530 [0,1,0,0,1,0|1,1,0]=4 363 B11R0.177 CCCC(=O)C(C(=O)OCC)C Amb10604915 [0,1,0,0,1,0|1,0,0]=3 364 B11R0.177 CCOC(=N)C(C(=N)OCC)C Amb10575144 [0,1,0,0,1,0|2,0,0]=4 365 B11R0.177 CCOC(=O)C(=C)C(=O)OCC Amb15693458 [0,1,0,0,1,0|0,0,1]=3 366 B11R0.177 CCOC(=O)C(=O)C(=O)CCC Amb22755696 [0,1,0,0,1,0|1,0,1]=4 367 B11R0.177 CCOC(=O)C(=O)C(=O)OCC Amb22756416 [0,1,0,0,1,0|0,0,1]=3 368 B11R0.177 CCOC(=O)C(C(=O)COC)C Amb10604913 [0,1,0,0,1,0|2,0,0]=4 369 B11R0.177 CCOC(=O)C(C(=O)OCC)N Amb1158253 [0,1,0,0,1,0|0,0,0]=2 370 B11R0.177 CCOC(=O)C(C(=O)OCC)O Amb10068673 [0,1,0,0,1,0|0,0,0]=2 371 B11R0.177 CCOC(=O)C([NH3+])C(=O)OCC Amb24113828 [0,1,0,0,1,0|0,0,0]=2 372 B11R0.182 CCO\C(\CBr)=C\C(=O)OCC Amb22733445 [0,1,0,0,1,0|1,0,1]=4 373 B11R0.182 CCO\C(\CC)=N/C(=O)OCC Amb23589351 [0,1,0,0,1,0|2,0,0]=4 374 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC Amb18334116 [0,1,0,0,0,1|1,0,0]=3 375 B13R0.18 CCOC(=O)CCC(C(=O)OCC)N Amb1154233 [0,1,0,0,0,1|0,0,0]=2 376 B13R0.18 CCOC(=O)CCC(O)C(=O)OCC Amb22756241 [0,1,0,0,0,1|0,0,0]=2 377 B13R0.18 CCOC(=O)CC[C@@H](O)C(=O)OCC Amb19132677 [0,1,0,0,0,1|0,0,0]=2 378 B13R0.89 CC(CC(=O)OCC)CC(=O)OCC Amb22735065 [0,1,0,0,0,1|0,0,0]=2 379 B13R0.89 CCOC(=O)CC(CC(=O)OCC)O Amb15692227 [0,1,0,0,0,1|0,0,0]=2 380 B13R0.175 CCCCC(=O)NCCC(=O)OCC Amb14052301 [0,1,0,0,0,1|1,0,0]=3 381 B13R0.175 CCCNC(=O)CSCC(=O)OCC Amb21618527 [0,1,0,0,0,1|1,0,0]=3 382 B13R0.175 CCCNC(=O)NCCC(=O)OCC Amb2136392 [0,1,0,0,0,1|1,0,0]=3 383 B13R0.175 CCOC(=O)CCCC(=O)NCC=O Amb22896805 [0,1,0,0,0,1|1,0,1]=4 384 B13R0.175 CCOC(=O)CCNC(=O)NCC=C Amb2136340 [0,1,0,0,0,1|1,0,1]=4 385 B13R0.175 CCOC(=O)NCCC(=O)OCC=C Amb19278031 [0,1,0,0,0,1|0,0,1]=3 386 B13R0.332 CC(C)=CC(=O)NCCC(=O)OCC Amb19088882 [0,1,0,0,0,1|1,0,1]=4 387 B13R0.332 CCNC(=O)NCCC(=O)OC(C)C Amb20826604 [0,1,0,0,0,1|1,0,0]=3 388 B13R0.332 CCOC(=O)CCNC(=O)CC(C)C Amb14053790 [0,1,0,0,0,1|1,0,0]=3 389 B13R0.332 COCC(=O)NCCC(=O)OC(C)C Amb20786275 [0,1,0,0,0,1|2,0,0]=4 390 B13R0.332 CSCC(=O)NCCC(=O)OC(C)C Amb20786237 [0,1,0,0,0,1|2,0,0]=4 391 B13R0.1523 C[Si](C)(CCCC(=O)OCC)OCC Amb19893677 [0,1,0,0,0,1|1,1,0]=4 392 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC Amb19049404 [0,2,0,0,0,0|2,0,0]=4 393 B13R0.55 CCOC(=O)CN(C)C(=O)CC(C)C Amb19049380 [0,2,0,0,0,0|2,0,0]=4 394 B13R0.120 ClCCCC(=O)NC(C(=O)OCC)C Amb17330598 [0,2,0,0,0,0|2,0,0]=4 395 B13R0.225 CCOC(=O)C(CBr)CC(=O)OCC Amb22752137 [0,2,0,0,0,0|0,0,0]=2 396 B13R0.225 CCOC(=O)CC(C=O)C(=O)OCC Amb17672648 [0,2,0,0,0,0|0,0,0]=2 397 B13R0.243 CCOC(=O)C(=O)CC(=O)CC(C)C Amb1123210 [0,2,0,0,0,0|1,0,1]=4 398 B13R0.674 CCOC(=O)C(=O)C(Br)C(=O)OCC Amb22755726 [0,2,0,0,0,0|0,0,1]=3 399 B13R0.674 CCOC(=O)C(=O)C(C(=O)OCC)Cl Amb10071926 [0,2,0,0,0,0|0,0,1]=3 400 B13R0.674 CCOC(=O)C(=O)C(F)C(=O)OCC Amb21962136 [0,2,0,0,0,0|0,0,1]=3 401 B13R0.674 CCOC(=O)[C@@H](O)[C@@H](Br)C(=O)OCC Amb22744801 [0,2,0,0,0,0|0,0,0]=2 402 B13R0.674 CCOC(=O)\C(=C(\C(=O)OCC)/[O-])\C Amb16208799 [0,2,0,0,0,0|0,0,2]=4 403 B13R0.361 CCO\C(=N/CC(=O)OCC)\C(C)C Amb20527649 [0,2,0,0,0,0|2,0,0]=4 404 B13R0.363 CCOC(=O)CCC(OCC)OCC Amb24118014 [0,2,0,0,0,0|0,0,2]=4 405 B13R0.95 CCOC(=O)CNC(=O)NCC(C)C Amb2136451 [0,2,0,0,0,0|2,0,0]=4 406 B13R0.115 C=CCNC(=O)CCC(=O)OC(C)C Amb1031075 [0,2,0,0,0,0|1,0,1]=4 407 B13R0.176 C#CCOC(=O)CCC(=O)OCC#C Amb24095053 [0,2,0,0,0,0|0,0,2]=4 408 B13R0.176 C=CCOC(=O)CCC(=O)OCC=C Amb22230519 [0,2,0,0,0,0|0,0,2]=4 409 B13R0.176 CCCOC(=O)OOC(=O)OCCC Amb22730132 [0,2,0,0,0,0|2,0,0]=4 410 B13R0.176 CCCOC(=O)\C=C/C(=O)OCCC Amb22346557 [0,2,0,0,0,0|0,0,2]=4 411 B13R0.27 CC(C)(C)OC(=O)CCC(=O)OCCl Amb21962881 [0,2,0,0,0,0|1,0,0]=3 412 B13R0.27 CC(C)(C)OC(=O)NCC(=O)OCCl Amb25803648 [0,2,0,0,0,0|2,0,0]=4 413 B13R0.27 CCCC(=O)CNC(=O)OC(C)(C)C Amb15692942 [0,2,0,0,0,0|2,0,0]=4 414 B13R0.27 CCNC(=O)CNC(=O)OC(C)(C)C Amb25098746 [0,2,0,0,0,0|2,0,0]=4 415 B13R0.27 CCOC(=N)CNC(=O)OC(C)(C)C Amb25682091 [0,2,0,0,0,0|2,0,0]=4 416 B13R0.27 CCOC(=O)C=NC(=O)OC(C)(C)C Amb24421002 [0,2,0,0,0,0|1,0,1]=4 417 B13R0.27 CCOC(=O)NNC(=O)OC(C)(C)C Amb22482693 [0,2,0,0,0,0|2,0,0]=4 418 B13R0.76 CC(C)OC(=O)NNC(=O)OC(C)C Amb22054456 [0,2,0,0,0,0|2,0,0]=4 419 B13R0.76 CC(C)OC(=O)OOC(=O)OC(C)C Amb22729232 [0,2,0,0,0,0|2,0,0]=4 420 B13R0.76 CC(C)OC(=O)SSC(=O)OC(C)C Amb22729233 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.16 CCNC(=O)C1CCOCC1 Amb24538268 [1,0,0,1,0,0|1,0,1]=4 422 B11R1.16 CCOC(=N)C1CCOCC1 Amb18182210 [1,0,0,1,0,0|1,0,1]=4 423 B11R1.16 CCOC(=O)C1CC=CCO1 Amb24538222 [1,0,0,1,0,0|2,0,0]=4 424 B11R1.16 CCOC(=O)C1CC=CNC1 Amb24062394 [1,0,0,1,0,0|2,0,0]=4 425 B11R1.16 CCOC(=O)C1CCC=CC1 Amb16230893 [1,0,0,1,0,0|1,0,0]=3 426 B11R1.16 CCOC(=O)C1CCC=CO1 Amb23439138 [1,0,0,1,0,0|2,0,0]=4 427 B11R1.16 CCOC(=O)C1CCNCC1 Amb1953496 [1,0,0,1,0,0|1,0,1]=4 428 B11R1.16 CCOC(=O)C1CCSCC1 Amb24484453 [1,0,0,1,0,0|0,1,1]=4 429 B11R1.16 CCOC(=O)C1CNCCC1 Amb19887540 [1,0,0,1,0,0|2,0,0]=4 430 B11R1.16 CCOC(=O)C1COCCC1 Amb18182346 [1,0,0,1,0,0|2,0,0]=4 431 B11R1.16 CCOC(=O)C1CSCCC1 Amb22232469 [1,0,0,1,0,0|2,0,0]=4 432 B11R1.16 CCOC(=O)N1CCOCC1 Amb17797590 [1,0,0,1,0,0|1,0,1]=4 433 B11R1.16 CCOC(=O)[C@@H]1CNCCC1 Amb22744886 [1,0,0,1,0,0|2,0,0]=4 434 B11R1.16 CCOC(=O)[C@H]1CCCNC1 Amb13885352 [1,0,0,1,0,0|2,0,0]=4 435 B11R1.24 CC\C=C\C1CC(=O)CCC1 Amb25844579 [1,0,0,1,0,0|2,0,0]=4 436 B11R1.30 CCNC(=O)CC1CCC=C1 Amb25078864 [1,0,0,1,0,0|2,0,0]=4 437 B11R1.30 CCOC(=O)CC1CCC=C1 Amb25379923 [1,0,0,1,0,0|1,0,0]=3 438 B11R1.30 CCOC(=O)CC1CCCN1 Amb19015189 [1,0,0,1,0,0|2,0,0]=4 439 B11R1.30 CCOC(=O)CC1CCCN1 Amb19514733 [1,0,0,1,0,0|2,0,0]=4 440 B11R1.30 CCOC(=O)CC1CCCO1 Amb17939087 [1,0,0,1,0,0|2,0,0]=4 441 B11R1.30 CCOC(=O)CC1CNCC1 Amb22001550 [1,0,0,1,0,0|1,0,1]=4 442 B11R1.30 CCOC(=O)CC1COCC1 Amb23538521 [1,0,0,1,0,0|0,0,1]=3 443 B11R1.30 CCOC(=O)CC1CSCC1 Amb25383766 [1,0,0,1,0,0|0,1,1]=4 444 B11R1.30 CCOC(=O)CC=1CCOC1 Amb23538522 [1,0,0,1,0,0|0,0,1]=3 445 B11R1.30 CCOC(=O)C[C@@H]1CNCC1 Amb22273291 [1,0,0,1,0,0|1,0,1]=4 446 B11R1.30 CCOC(=O)C[C@@H]1CNCC1 Amb24766248 [1,0,0,1,0,0|1,0,1]=4 447 B11R1.30 CCOC(=O)C[C@H]1CNCC1 Amb22273263 [1,0,0,1,0,0|1,0,1]=4 448 B11R1.30 CCOC(=O)C[C@H]1CNCC1 Amb24766247 [1,0,0,1,0,0|1,0,1]=4 449 B11R1.30 CCOC(=O)NC1CCC=C1 Amb25090869 [1,0,0,1,0,0|2,0,0]=4 450 B11R1.81 CCON1CCC(=O)CC1C Amb24508638 [1,0,0,1,0,0|2,0,0]=4 451 B11R1.101 O=C1CCC=CCCCCN1 Amb24486107 [1,0,0,1,0,0|2,0,0]=4 452 B11R1.123 CCC=1C(=O)CCC1OCC Amb25151451 [1,0,0,1,0,0|1,0,0]=3 453 B11R1.123 CCOC1=C(CC)C(=O)CO1 Amb17593901 [1,0,0,1,0,0|2,0,0]=4 454 B11R1.180 CCOCCC1CCCC1=O Amb18177471 [1,0,0,1,0,0|1,0,1]=4 455 B11R1.180 O=C1OCCC1C\C=C\CCl Amb25361057 [1,0,0,1,0,0|2,0,0]=4 456 B11R1.199 CC1CCCC1C(=O)OCC Amb24390634 [1,0,0,1,0,0|1,0,1]=4 457 B11R1.199 CC1OC=NC1C(=O)OCC Amb25710752 [1,0,0,1,0,0|1,0,0]=3 458 B11R1.199 CC1OCCC1C(=O)CCC Amb25151810 [1,0,0,1,0,0|1,0,1]=4 459 B11R1.199 CC1OCNC1C(=O)OCC Amb25704206 [1,0,0,1,0,0|1,0,1]=4 460 B11R1.199 CC1SC=NC1C(=O)OCC Amb25060470 [1,0,0,1,0,0|1,1,0]=4 461 B11R1.199 CCOC(=O)[C@@H]1CC=C[C@@H]1N Amb24667431 [1,0,0,1,0,0|2,0,0]=4 462 B11R1.199 C[C@@H]1CNC[C@H]1C(=O)OCC Amb22745241 [1,0,0,1,0,0|2,0,0]=4 463 B11R1.199 C[C@@H]1CNC[C@H]1C(=O)OCC Amb22747236 [1,0,0,1,0,0|2,0,0]=4 464 B11R1.289 CCOC(=O)CN=C1CCC1 Amb24761943 [1,0,0,1,0,0|2,0,0]=4 465 B11R1.15 CC1=NC(CO1)C(=O)OCC Amb24667677 [1,0,0,1,0,0|2,0,0]=4 466 B11R1.15 CC1CC(CO1)C(=O)OCC Amb25683880 [1,0,0,1,0,0|1,0,1]=4 467 B11R1.15 CC1CCC(C1)C(=O)OCC Amb25119717 [1,0,0,1,0,0|1,0,1]=4 468 B11R1.15 CC=1CCC(N1)C(=O)OCC Amb25144143 [1,0,0,1,0,0|2,0,0]=4 469 B11R1.15 CC=1CC[C@H](N1)C(=O)OCC Amb25208092 [1,0,0,1,0,0|2,0,0]=4 470 B11R1.15 CCCC(=O)C1CC(=O)NC1 Amb24698941 [1,0,0,1,0,0|2,0,0]=4 471 B11R1.15 CCNC(=O)C1CC(=O)SC1 Amb25355718 [1,0,0,1,0,0|1,1,0]=4 472 B11R1.15 CCNC(=O)C1CNC(=O)C1 Amb24334784 [1,0,0,1,0,0|2,0,0]=4 473 B11R1.15 CCNC(=O)N1CC(=O)CC1 Amb24617670 [1,0,0,1,0,0|2,0,0]=4 474 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)N1 Amb24714276 [1,0,0,1,0,0|2,0,0]=4 475 B11R1.15 CCNC(=O)[C@H]1CCC(=O)N1 Amb25148030 [1,0,0,1,0,0|2,0,0]=4 476 B11R1.15 CCOC(=O)C1CC(=O)NC1 Amb20075873 [1,0,0,1,0,0|1,0,0]=3 477 B11R1.15 CCOC(=O)C1CC(Br)=NC1 Amb24548984 [1,0,0,1,0,0|2,0,0]=4 478 B11R1.15 CCOC(=O)C1CCC(=O)N1 Amb2137255 [1,0,0,1,0,0|1,0,0]=3 479 B11R1.15 CCOC(=O)C1CCC(=S)N1 Amb25774356 [1,0,0,1,0,0|1,1,0]=4 480 B11R1.15 CCOC(=O)C1CCC(N)=N1 Amb24484673 [1,0,0,1,0,0|2,0,0]=4 481 B11R1.15 CCOC(=O)C1CCC(N)C1 Amb20669463 [1,0,0,1,0,0|1,0,1]=4 482 B11R1.15 CCOC(=O)C1CCC(N)C1 Amb22059628 [1,0,0,1,0,0|1,0,1]=4 483 B11R1.15 CCOC(=O)C1CCC(O)C1 Amb22754536 [1,0,0,1,0,0|0,0,2]=4 484 B11R1.15 CCOC(=O)C1CCN(C)C1 Amb17935773 [1,0,0,1,0,0|2,0,0]=4 485 B11R1.15 CCOC(=O)C1COC(=O)C1 Amb20669139 [1,0,0,1,0,0|0,0,0]=2 486 B11R1.15 CCOC(=O)C=1CC(=O)ON1 Amb20619574 [1,0,0,1,0,0|1,0,1]=4 487 B11R1.15 CCOC(=O)C=1CCC(=O)C1 Amb22736093 [1,0,0,1,0,0|0,0,2]=4 488 B11R1.15 CCOC(=O)C=1CCC(=O)N1 Amb24509276 [1,0,0,1,0,0|1,0,1]=4 489 B11R1.15 CCOC(=O)N1CCC(=O)N1 Amb24565619 [1,0,0,1,0,0|2,0,0]=4 490 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)O1 Amb22226711 [1,0,0,1,0,0|1,0,0]=3 491 B11R1.15 CCOC(=O)[C@@H]1CCC(N)=N1 Amb25143983 [1,0,0,1,0,0|2,0,0]=4 492 B11R1.15 CCOC(=O)[C@@H]1CC[C@@H](O)C1 Amb25791928 [1,0,0,1,0,0|0,0,2]=4 493 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](N)C1 Amb24079839 [1,0,0,1,0,0|1,0,1]=4 494 B11R1.15 CCOC(=O)[C@@H]1CN(C)CC1 Amb24182061 [1,0,0,1,0,0|2,0,0]=4 495 B11R1.15 CCOC(=O)[C@@H]1COC(=O)N1 Amb19929335 [1,0,0,1,0,0|1,0,0]=3 496 B11R1.15 CCOC(=O)[C@H]1CC(=O)CC1 Amb25053151 [1,0,0,1,0,0|0,0,0]=2 497 B11R1.15 CCOC(=O)[C@H]1CC(=O)NC1 Amb25084316 [1,0,0,1,0,0|1,0,0]=3 498 B11R1.15 CCOC(=O)[C@H]1COC(=O)C1 Amb25100827 [1,0,0,1,0,0|0,0,0]=2 499 B11R1.15 CCOC(=O)[C@H]1COC(=O)N1 Amb22736699 [1,0,0,1,0,0|1,0,0]=3 500 B11R1.15 CCSC(=O)C1CCC(=O)N1 Amb24484871 [1,0,0,1,0,0|1,1,0]=4 501 B11R1.15 CCSC(=O)[C@@H]1CCC(=O)N1 Amb25275281 [1,0,0,1,0,0|1,1,0]=4 502 B11R1.15 C\C=C\C(=O)C1CC(=O)CC1 Amb24737427 [1,0,0,1,0,0|1,0,1]=4 503 B11R1.15 O=C1CCC(N1)C(=O)OCCl Amb24371305 [1,0,0,1,0,0|2,0,0]=4 504 B11R1.15 O=C1CC[C@@H](N1)C(=O)OCCl Amb22757012 [1,0,0,1,0,0|2,0,0]=4 505 B11R1.15 O=C1CC[C@H](N1)C(=O)OCCl Amb24450211 [1,0,0,1,0,0|2,0,0]=4 506 B11R1.23 CC1CC(CCO1)C(=O)CC Amb25149179 [1,0,0,1,0,0|1,0,1]=4 507 B11R1.23 CC1CC(CCO1)C(=O)OC Amb25730422 [1,0,0,1,0,0|1,0,1]=4 508 B11R1.23 CC=1CC(CCC1)C(=O)CC Amb24662627 [1,0,0,1,0,0|2,0,0]=4 509 B11R1.23 CCC(=O)C1CC(=O)NCC1 Amb24666028 [1,0,0,1,0,0|1,0,0]=3 510 B11R1.23 CCC(=O)N1CC(=O)NCC1 Amb18799660 [1,0,0,1,0,0|2,0,0]=4 511 B11R1.23 CCS(=O)C1CC(=O)CCC1 Amb25151305 [1,0,0,1,0,0|2,0,0]=4 512 B11R1.23 CNC(=O)C1CC(=O)CCC1 Amb25351444 [1,0,0,1,0,0|2,0,0]=4 513 B11R1.23 COC(=C)C1CC(=O)CCC1 Amb25707472 [1,0,0,1,0,0|2,0,0]=4 514 B11R1.23 COC(=C)[C@H]1CC(=O)CCC1 Amb25143369 [1,0,0,1,0,0|2,0,0]=4 515 B11R1.23 COC(=O)C1CC(=O)C=CC1 Amb24633337 [1,0,0,1,0,0|1,0,1]=4 516 B11R1.23 COC(=O)C1CC(=O)CCN1 Amb13889092 [1,0,0,1,0,0|2,0,0]=4 517 B11R1.23 COC(=O)C1CC(=O)CCN1 Amb22899628 [1,0,0,1,0,0|2,0,0]=4 518 B11R1.23 COC(=O)C1CC(=O)CCO1 Amb25309255 [1,0,0,1,0,0|2,0,0]=4 519 B11R1.23 COC(=O)C1CC(=O)CNC1 Amb25178940 [1,0,0,1,0,0|2,0,0]=4 520 B11R1.23 COC(=O)C1CC(=O)CSC1 Amb25797399 [1,0,0,1,0,0|2,0,0]=4 521 B11R1.23 COC(=O)C1CC(=O)NCC1 Amb21922898 [1,0,0,1,0,0|1,0,0]=3 522 B11R1.23 COC(=O)C1CCCC(=O)N1 Amb13886339 [1,0,0,1,0,0|2,0,0]=4 523 B11R1.23 COC(=O)C1CCOC(=O)N1 Amb25044321 [1,0,0,1,0,0|1,0,0]=3 524 B11R1.23 COC(=O)C1CCSC(=O)N1 Amb25315086 [1,0,0,1,0,0|1,1,0]=4 525 B11R1.23 COC(=O)C1CNNC(=O)C1 Amb2437236 [1,0,0,1,0,0|2,0,0]=4 526 B11R1.23 COC(=O)C1COCC(=O)C1 Amb25086714 [1,0,0,1,0,0|2,0,0]=4 527 B11R1.23 COC(=O)N1CC(=O)CCC1 Amb22490336 [1,0,0,1,0,0|2,0,0]=4 528 B11R1.23 COC(=O)N1CC(=O)NCC1 Amb18183252 [1,0,0,1,0,0|2,0,0]=4 529 B11R1.23 COC(=O)[C@@H]1CC(=O)CCC1 Amb25084961 [1,0,0,1,0,0|1,0,0]=3 530 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 Amb13889085 [1,0,0,1,0,0|2,0,0]=4 531 B11R1.23 COC(=O)[C@@H]1CC(=O)CCO1 Amb25794184 [1,0,0,1,0,0|2,0,0]=4 532 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 Amb25375349 [1,0,0,1,0,0|2,0,0]=4 533 B11R1.23 COC(=O)[C@@H]1CCNC(=O)N1 Amb24699797 [1,0,0,1,0,0|2,0,0]=4 534 B11R1.23 COC(=O)[C@@H]1CCOC(=O)N1 Amb25785572 [1,0,0,1,0,0|1,0,0]=3 535 B11R1.23 COC(=O)[C@H]1CC(=O)CCC1 Amb24486283 [1,0,0,1,0,0|1,0,0]=3 536 B11R1.23 COC(=O)[C@H]1CCSC(=O)N1 Amb24484852 [1,0,0,1,0,0|1,1,0]=4 537 B11R1.23 O=C1CCCC(C1)C(=O)CCl Amb25321031 [1,0,0,1,0,0|2,0,0]=4 538 B11R1.25 CCC(=O)CCC1CCCO1 Amb18797003 [1,0,0,1,0,0|1,0,1]=4 539 B11R1.25 CCC(=O)CCC=1CCCC1 Amb24764356 [1,0,0,1,0,0|2,0,0]=4 540 B11R1.25 COC(=O)CCC1CCCO1 Amb13951567 [1,0,0,1,0,0|1,0,1]=4 541 B11R1.25 COC(=O)CCC1OCCO1 Amb10605301 [1,0,0,1,0,0|0,0,2]=4 542 B11R1.121 COC(=O)C1CC(C1)OCC Amb25382527 [1,0,0,1,0,0|1,0,1]=4 543 B11R1.144 O=C1CCC(=O)CCCCC1 Amb25830564 [1,0,0,1,0,0|1,0,0]=3 544 B11R1.192 CCON1CC(C)C(=O)CC1 Amb25718976 [1,0,0,1,0,0|2,0,0]=4 545 B11R1.192 C[C@H]1O[C@@H](CCC1=O)OCC Amb25179705 [1,0,0,1,0,0|0,0,2]=4 546 B11R1.225 CC1NC(=O)NC1C(=O)OC Amb24511485 [1,0,0,1,0,0|2,0,0]=4 547 B11R1.225 CC1NC(=O)OC1C(=O)OC Amb25248496 [1,0,0,1,0,0|2,0,0]=4 548 B11R1.225 CC1OC(=O)NC1C(=O)SC Amb24416754 [1,0,0,1,0,0|1,1,0]=4 549 B11R1.225 COC(=O)C1=CC(=O)OC1C Amb25151233 [1,0,0,1,0,0|0,0,2]=4 550 B11R1.225 COC(=O)C1CC(=O)NN1C Amb24710785 [1,0,0,1,0,0|2,0,0]=4 551 B11R1.225 COC(=O)N1CC(=O)CC1C Amb25341417 [1,0,0,1,0,0|2,0,0]=4 552 B11R1.225 C[C@@H]1CC(=O)N[C@H]1C(=O)OC Amb25202043 [1,0,0,1,0,0|2,0,0]=4 553 B11R1.225 C[C@@H]1NC(=O)C[C@@H]1C(=O)OC Amb24513173 [1,0,0,1,0,0|1,0,0]=3 554 B11R1.228 CCC(=C)CC1CCNC1=O Amb24720823 [1,0,0,1,0,0|2,0,0]=4 555 B11R1.228 CCC(=O)CC1CCOC1=O Amb25151231 [1,0,0,1,0,0|0,0,0]=2 556 B11R1.228 CCC(=O)CN1CCCC1=O Amb18182974 [1,0,0,1,0,0|2,0,0]=4 557 B11R1.228 CCC(=O)CN1CCOC1=O Amb18183138 [1,0,0,1,0,0|1,0,0]=3 558 B11R1.228 CCC(=O)CN1CCSC1=O Amb18807872 [1,0,0,1,0,0|1,1,0]=4 559 B11R1.228 CCC(=O)NC1CCCC1=O Amb25119678 [1,0,0,1,0,0|2,0,0]=4 560 B11R1.228 CCC(=O)NC1CCOC1=O Amb24447418 [1,0,0,1,0,0|1,0,0]=3 561 B11R1.228 CCC(=O)N[C@H]1CCOC1=O Amb25100523 [1,0,0,1,0,0|1,0,0]=3 562 B11R1.228 CCC(=O)OC1CCCC1=O Amb24486346 [1,0,0,1,0,0|2,0,0]=4 563 B11R1.228 CCC(=O)OC1CCOC1=O Amb24386590 [1,0,0,1,0,0|1,0,0]=3 564 B11R1.228 COC(=O)CC1CCNC1=O Amb24615948 [1,0,0,1,0,0|1,0,0]=3 565 B11R1.228 COC(=O)CC1CNCC1=O Amb25276831 [1,0,0,1,0,0|2,0,0]=4 566 B11R1.228 COC(=O)CC1OCCC1=O Amb24486468 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.228 COC(=O)CC1SCCC1=O Amb24723911 [1,0,0,1,0,0|2,0,0]=4 568 B11R1.228 COC(=O)C[C@H]1CCCC1=O Amb24646591 [1,0,0,1,0,0|1,0,0]=3 569 B11R1.228 COC(=O)NC1CCCC1=O Amb24679329 [1,0,0,1,0,0|2,0,0]=4 570 B11R1.228 COC(=O)N[C@@H]1CCOC1=O Amb25299312 [1,0,0,1,0,0|1,0,0]=3 571 B11R1.228 COC(=O)N[C@H]1CCOC1=O Amb25366268 [1,0,0,1,0,0|1,0,0]=3 572 B11R1.228 O=C1OCCC1NC(=O)CBr Amb25046155 [1,0,0,1,0,0|2,0,0]=4 573 B11R1.228 O=C1OCCC1OC(=O)CCl Amb24509078 [1,0,0,1,0,0|2,0,0]=4 574 B11R1.228 O=C1OCC[C@H]1NC(=O)CCl Amb25275037 [1,0,0,1,0,0|2,0,0]=4 575 B11R1.391 CCN1CCC(=O)CCC1=O Amb24729458 [1,0,0,1,0,0|1,0,0]=3 576 B11R1.391 CCN1CCC(=O)NCC1=O Amb25061586 [1,0,0,1,0,0|2,0,0]=4 577 B11R1.427 CC[C@@H]1[C@H](NC1=O)C(=O)OC Amb24540819 [1,0,0,1,0,0|2,0,0]=4 578 B11R1.427 CC[C@H]1[C@@H](NC1=O)C(=O)OC Amb24588251 [1,0,0,1,0,0|2,0,0]=4 579 B11R1.427 CON1C(CC1=O)C(=O)OC Amb25695924 [1,0,0,1,0,0|2,0,0]=4 580 B11R1.427 CON1[C@H](CC1=O)C(=O)OC Amb25794505 [1,0,0,1,0,0|2,0,0]=4 581 B11R1.524 CCC(=O)NCC(=O)C1CC1 Amb24755810 [1,0,0,1,0,0|2,0,0]=4 582 B11R1.524 CCC(=O)NCC(=O)N1CC1 Amb24755811 [1,0,0,1,0,0|2,0,0]=4 583 B11R1.524 COC(=O)CNC(=O)C1CC1 Amb1156685 [1,0,0,1,0,0|2,0,0]=4 584 B11R1.524 COC(=O)NCC(=O)C1CC1 Amb24751091 [1,0,0,1,0,0|2,0,0]=4 585 B11R1.524 COC(=O)NCC(=O)N1CC1 Amb24751092 [1,0,0,1,0,0|2,0,0]=4 586 B11R1.650 CC=1CCC(=O)CCC(C)C1 Amb25130599 [1,0,0,1,0,0|2,0,0]=4 587 B11R1.817 CC1(CC1C(=O)OCC)CC Amb25380161 [1,0,0,1,0,0|1,0,1]=4 588 B11R1.820 CCOC(=O)C1CC(=O)C1=C Amb24608601 [1,0,0,1,0,0|0,0,2]=4 589 B11R1.820 CCOC(=O)[C@H]1CC(=O)N1O Amb25360838 [1,0,0,1,0,0|2,0,0]=4 590 B11R1.822 COC1CC(C1)C(=O)OCC Amb25383689 [1,0,0,1,0,0|1,0,1]=4 591 B11R1.1234 CCOC1(O)CCC(=O)CC1 Amb24721673 [1,0,0,1,0,0|0,0,2]=4 592 B11R1.1477 CC1CC(=O)C1CC(=O)OC Amb25318959 [1,0,0,1,0,0|1,0,0]=3 593 B11R1.1477 C[C@@H]1NC(=O)[C@H]1NC(=O)OC Amb24568958 [1,0,0,1,0,0|2,0,0]=4 594 B11R1.334 CCCC(=O)CC(=O)C1CC1 Amb18787509 [0,0,0,1,1,0|2,0,0]=4 595 B11R1.334 CCOC(=O)NC(=O)C1CC1 Amb25313128 [0,0,0,1,1,0|2,0,0]=4 596 B11R1.425 CCN1C(=O)CC(=O)N1CC Amb25144052 [0,0,0,1,1,0|2,0,0]=4 597 B11R1.825 CCOC(=O)C1C(CC)C1=C Amb25384046 [0,0,0,1,1,0|2,0,0]=4 598 B13R1.20 CCOC(=O)CC1CCNC(=O)C1 Amb13885925 [0,0,0,1,0,1|1,0,0]=3 599 B13R1.20 CCOC(=O)CN1CC(=O)NCC1 Amb22472133 [0,0,0,1,0,1|1,0,0]=3 600 B13R1.20 CCOC(=O)NC1CC(=O)CCC1 Amb25277211 [0,0,0,1,0,1|1,0,0]=3 601 B13R1.404 CCOC(=O)CCCC1OCCO1 Amb24598849 [0,0,0,1,0,1|0,0,2]=4 602 B13R1.404 CCOC(=O)CCSC1=NCCS1 Amb21977605 [0,0,0,1,0,1|1,1,0]=4 603 B13R1.404 CCOC(=O)CCSC=1NCCN1 Amb21978772 [0,0,0,1,0,1|2,0,0]=4 604 B13R1.404 CCOC(=O)NCCC1OCCO1 Amb16880897 [0,0,0,1,0,1|0,0,2]=4 605 B13R1.690 CCOC(=O)NC1CC(C)OC1C Amb24536387 [0,0,0,1,0,1|1,0,1]=4 606 B13R1.690 CCOC(=O)N[C@H]1CC(=O)OC1=O Amb24381434 [0,0,0,1,0,1|1,0,1]=4 607 B13R1.1463 CCCC(=O)N1CCC(=O)NCC1 Amb19074738 [0,0,0,1,0,1|2,0,0]=4 608 B13R1.1463 CCNC(=O)N1CCNC(=O)CC1 Amb19057917 [0,0,0,1,0,1|2,0,0]=4 609 B13R1.1463 CCOC(=O)C1CCC(=O)NCC1 Amb22641108 [0,0,0,1,0,1|1,0,0]=3 610 B13R1.1463 CCOC(=O)C1CCOC(=O)CC1 Amb23453210 [0,0,0,1,0,1|0,0,0]=2 611 B13R1.1463 CCOC(=O)N1CCCC(=O)CC1 Amb17610492 [0,0,0,1,0,1|1,0,0]=3 612 B13R1.1463 CCOC(=O)N1CCCS(=O)CC1 Amb25707627 [0,0,0,1,0,1|2,0,0]=4 613 B13R1.1463 CCOC(=O)N1CCNC(=O)CC1 Amb10609205 [0,0,0,1,0,1|1,0,0]=3 614 B13R1.1496 CCOC(=O)CCNC(=O)C1CC1 Amb19045698 [0,0,0,1,0,1|1,0,0]=3 615 B13R1.1511 CC1CC(=O)CCC1C(=O)OCC Amb24394405 [0,0,0,1,0,1|1,0,0]=3 616 B13R1.1511 CC1NC(N)=NCC1C(=O)OCC Amb25131419 [0,0,0,1,0,1|2,0,0]=4 617 B13R1.1511 CCOC(=O)N1CCS(=O)CC1C Amb24397658 [0,0,0,1,0,1|2,0,0]=4 618 B13R1.1511 C[C@H]1CC(=O)CC[C@H]1C(=O)OCC Amb22388494 [0,0,0,1,0,1|1,0,0]=3 619 B13R1.1515 CCOC(=O)[C@@H]1N[C@H]1C(=O)OCC Amb19374706 [0,0,0,1,0,1|0,0,0]=2 620 B13R1.1515 CCOC(=O)[C@H]1C[C@H]1C(=O)OCC Amb22230539 [0,0,0,1,0,1|0,0,0]=2 621 B13R1.2792 O=C1CCCCCNC(=O)CCO1 Amb25195933 [0,0,0,1,0,1|2,0,0]=4 622 B13R1.12 CCOC(=O)C1CCNC(=O)C1=O Amb22736523 [0,1,0,1,0,0|1,0,1]=4 623 B13R1.12 CCOC(=O)C1CCNC(=O)C1O Amb24694182 [0,1,0,1,0,0|1,0,0]=3 624 B13R1.450 CC1CC(=O)NC(C1)C(=O)OCC Amb24605709 [0,1,0,1,0,0|2,0,0]=4 625 B13R1.450 CC1CC(CC(=O)N1)C(=O)NCC Amb25078934 [0,1,0,1,0,0|2,0,0]=4 626 B13R1.450 CCOC(=O)C1CC(=O)C=C(O)C1 Amb23402251 [0,1,0,1,0,0|1,0,1]=4 627 B13R1.450 CCOC(=O)C1CC(=O)CC(=O)C1 Amb23402249 [0,1,0,1,0,0|1,0,1]=4 628 B13R1.450 CCOC(=O)C1CC(=O)NC(=O)C1 Amb24362402 [0,1,0,1,0,0|1,0,1]=4 629 B13R1.458 CCN1N=C(CC1=O)C(=O)OCC Amb19335855 [0,1,0,1,0,0|1,0,1]=4 630 B13R1.458 CCNC(=O)C1CN(C(=O)C1)CC Amb2192579 [0,1,0,1,0,0|2,0,0]=4 631 B13R1.470 CCNC(=O)CC1NCCNC1=O Amb19961864 [0,1,0,1,0,0|2,0,0]=4 632 B13R1.470 CCNC(=O)CC1NCCNC1=O Amb21965832 [0,1,0,1,0,0|2,0,0]=4 633 B13R1.470 CCNC(=O)CN1CCCOC1=O Amb25769194 [0,1,0,1,0,0|2,0,0]=4 634 B13R1.470 CCNC(=O)CN1CCOCC1=O Amb25851958 [0,1,0,1,0,0|2,0,0]=4 635 B13R1.470 CCOC(=O)CC1CCCCC1=O Amb10844666 [0,1,0,1,0,0|1,0,0]=3 636 B13R1.470 CCOC(=O)CC1NCCNC1=O Amb21966095 [0,1,0,1,0,0|1,0,0]=3 637 B13R1.470 CCOC(=O)CC1NCCNC1=O Amb2467168 [0,1,0,1,0,0|1,0,0]=3 638 B13R1.470 CCOC(=O)CN1CCNCC1=O Amb22396539 [0,1,0,1,0,0|2,0,0]=4 639 B13R1.470 CCOC(=O)C[C@@H]1CCCCC1=O Amb24181923 [0,1,0,1,0,0|1,0,0]=3 640 B13R1.470 CCOC(=O)NC1CCCCC1=O Amb25857073 [0,1,0,1,0,0|2,0,0]=4 641 B13R1.470 CCOC(=O)NC1CCCNC1=O Amb24476183 [0,1,0,1,0,0|2,0,0]=4 642 B13R1.470 CCOC(=O)N[C@H]1CCCCC1=O Amb25192667 [0,1,0,1,0,0|2,0,0]=4 643 B13R1.1462 CCOC(=O)C1CC(=O)CCCC1 Amb21962583 [0,1,0,1,0,0|1,0,0]=3 644 B13R1.1462 CCOC(=O)C1CC(=O)NCCO1 Amb25292317 [0,1,0,1,0,0|1,0,0]=3 645 B13R1.1462 CCOC(=O)[C@H]1CCCCC(=O)N1 Amb24568956 [0,1,0,1,0,0|2,0,0]=4 646 B13R1.1494 CCOC(=O)C(=O)CC(=O)C1CC1 Amb1123146 [0,1,0,1,0,0|1,0,1]=4 647 B13R1.1495 CCOC(=O)CN(C)C(=O)C1CC1 Amb18323192 [0,1,0,1,0,0|2,0,0]=4 648 B13R1.2909 CCOC(=O)C(=O)C1CCNC1=O Amb24066470 [0,1,0,1,0,0|1,0,1]=4 649 B13R1.4451 CCOC(=O)C1(N)CC(C)OC1C Amb25303413 [0,1,0,1,0,0|1,0,1]=4 650 B13R1.4451 CCOC(=O)C1(O)CC(C)OC1C Amb24643161 [0,1,0,1,0,0|1,0,1]=4 651 B13R1.4456 CCOC(=O)C1C(C)NC(=O)C1C Amb25289138 [0,1,0,1,0,0|1,0,0]=3 652 B13R1.4456 CCOC(=O)C=1C(C)OC(=O)C1O Amb24742148 [0,1,0,1,0,0|0,0,2]=4 653 B13R1.4456 CCOC(=O)C=1[C@@H](C)OC(=O)C1N Amb24342325 [0,1,0,1,0,0|0,0,2]=4 654 B13R1.4456 CCOC(=O)N1C(C)CC(=O)C1C Amb22755687 [0,1,0,1,0,0|2,0,0]=4 655 B13R1.4470 CCOC(=O)C1(N)CC(C)OCC1 Amb25238651 [0,1,0,1,0,0|1,0,1]=4 656 B13R1.4470 CCOC(=O)C1(O)CC(C)OCC1 Amb24732339 [0,1,0,1,0,0|1,0,1]=4 657 B13R1.4563 CCNC(=O)NC1(C)CCOC1=O Amb25663480 [0,1,0,1,0,0|2,0,0]=4 658 B13R1.4563 CCOC(=O)NC1(C)CCOC1=O Amb24520783 [0,1,0,1,0,0|1,0,0]=3 659 B13R1.460 CCOC(=O)C1CC(CCC1)=NN Amb24362523 [0,1,0,1,0,0|2,0,0]=4 660 B13R1.460 CCOC(=O)C1CN(CCC1)C=O Amb19883922 [0,1,0,1,0,0|2,0,0]=4 661 B13R1.22 CCN(C)C(=O)C1CC(=O)NCC1 Amb24397777 [0,1,0,1,0,0|2,0,0]=4 662 B13R1.457 CCOC(=O)C1CC(=O)N(C)N1C Amb23441732 [0,1,0,1,0,0|2,0,0]=4 663 B13R1.466 CCNC(=O)C1CC(=O)N(C)CC1 Amb25105538 [0,1,0,1,0,0|2,0,0]=4 664 B13R1.466 CCOC(=O)C1CC(=O)C(=O)CC1 Amb25790691 [0,1,0,1,0,0|1,0,0]=3 665 B13R1.466 CCOC(=O)C1CC(C)=C(C)CC1 Amb25317205 [0,1,0,1,0,0|2,0,0]=4 666 B13R1.466 CCOC(=O)C1CCC(Br)C(=O)N1 Amb25073474 [0,1,0,1,0,0|2,0,0]=4 667 B13R1.466 CCOC(=O)C1CCC(N)C(=O)N1 Amb25808764 [0,1,0,1,0,0|2,0,0]=4 668 B13R1.466 CCOC(=O)C1CCN(C)C(=C)C1 Amb22229758 [0,1,0,1,0,0|2,0,0]=4 669 B13R1.704 CC(CC)C(=O)NC1CCOC1=O Amb24502832 [0,1,0,1,0,0|2,0,0]=4 670 B13R1.704 CCC(O)C(=O)NC1CCOC1=O Amb25256501 [0,1,0,1,0,0|2,0,0]=4 671 B13R1.704 CCN(C)C(=O)NC1CCOC1=O Amb24689189 [0,1,0,1,0,0|2,0,0]=4 672 B13R1.1478 CCOC(=O)NC1CCN(C)C1=O Amb24721371 [0,1,0,1,0,0|2,0,0]=4 673 B13R1.18 C#CCOC(=O)C1CC(=O)NCC1 Amb24592034 [0,1,0,1,0,0|1,0,1]=4 674 B13R1.18 CC1CC(CCO1)C(=O)NOCC Amb25332014 [0,1,0,1,0,0|1,0,1]=4 675 B13R1.18 CCCNC(=O)C1CC(=O)CCC1 Amb25347727 [0,1,0,1,0,0|2,0,0]=4 676 B13R1.18 CCONC(=O)N1CC(=O)NCC1 Amb24575799 [0,1,0,1,0,0|2,0,0]=4 677 B13R1.18 O=C(NCCF)C1CCNC(=O)C1 Amb25818253 [0,1,0,1,0,0|2,0,0]=4 678 B13R1.18 OCCNC(=O)C1CCNC(=O)C1 Amb24645046 [0,1,0,1,0,0|2,0,0]=4 679 B13R1.446 CCOC(=O)C1CC(=O)NCC1=O Amb25289869 [0,1,0,1,0,0|1,0,1]=4 680 B13R1.680 CC1OC(=O)NC1C(=O)NCCO Amb25356853 [0,1,0,1,0,0|2,0,0]=4 681 B13R1.680 CC1OC(=O)NC1C(=O)NOCC Amb24347808 [0,1,0,1,0,0|1,0,0]=3 682 B13R1.680 CC1OC(=O)NC1C(=O)OCC#C Amb24502506 [0,1,0,1,0,0|1,0,1]=4 683 B13R1.680 CC1OC(=O)NC1C(=O)OCC#N Amb24513577 [0,1,0,1,0,0|1,0,1]=4 684 B13R1.686 CCOCC(=O)NC1CCSC1=O Amb1836592 [0,1,0,1,0,0|1,1,0]=4 685 B13R1.686 O=C1OCCC1NC(=O)NCCCl Amb25788836 [0,1,0,1,0,0|2,0,0]=4 686 B13R1.2565 CC=1COC(=O)C1NC(=O)OCC Amb24490220 [0,1,0,1,0,0|1,0,1]=4 687 B13R1.3132 CCOC(=O)CNC(=O)NC1CC1 Amb2136436 [0,1,0,1,0,0|2,0,0]=4 688 B13R1.147 CC(C)NC(=O)C1CCCC(=O)C1 Amb25158738 [0,1,0,1,0,0|2,0,0]=4 689 B13R1.147 CC(C)OC(=O)C1CC(C)OCC1 Amb25796832 [0,1,0,1,0,0|1,0,1]=4 690 B13R1.147 CC(C)OC(=O)N1CC(=O)NCC1 Amb18323549 [0,1,0,1,0,0|2,0,0]=4 691 B13R1.147 CC(C)OC(=O)[C@H]1CCCC(=O)N1 Amb25285363 [0,1,0,1,0,0|2,0,0]=4 692 B13R1.282 CC(C)CC(=O)NC1CCOC1=O Amb24452170 [0,1,0,1,0,0|2,0,0]=4 693 B13R1.282 CC(O)CC(=O)N[C@H]1CCOC1=O Amb25140398 [0,1,0,1,0,0|2,0,0]=4 694 B13R1.3465 CC(C)NC(=O)C1NC(=O)OC1C Amb25136703 [0,1,0,1,0,0|2,0,0]=4 695 B13R1.4508 CC1(C)OC(=S)NC1C(=O)OCC Amb24640358 [0,1,0,1,0,0|1,1,0]=4 696 B13R1.4508 CCOC(=O)C1CC(=O)NC1(C)C Amb24399229 [0,1,0,1,0,0|1,0,0]=3 697 B13R1.4508 CCOC(=O)[C@H]1NC(=O)CC1(C)C Amb25779315 [0,1,0,1,0,0|2,0,0]=4 698 B13R2.342 O=C1CCC[C@@H]2[C@@H]1CCCC2=O Amb25202710 [0,0,0,2,0,0|2,0,0]=4 699 B13R2.342 O=C1CCC[C@@H]2[C@H]1CCCC2=O Amb24551485 [0,0,0,2,0,0|2,0,0]=4 700 B13R2.822 CCOC(=O)C1C2C1C=CC2=O Amb25298439 [0,0,0,2,0,0|1,0,1]=4 701 B13R2.822 CCOC(=O)C1C2C1CCC2=O Amb21962758 [0,0,0,2,0,0|1,0,0]=3 702 B13R2.822 CCOC(=O)C1C2COC(O)C12 Amb24474211 [0,0,0,2,0,0|0,0,2]=4 703 B13R2.822 CCOC(=O)C1C2OCC(=O)C21 Amb25804091 [0,0,0,2,0,0|2,0,0]=4 704 B13R2.822 CCOC(=O)[C@@H]1[C@@H]2[C@H]1C=CC2=O Amb25371903 [0,0,0,2,0,0|1,0,1]=4 705 B13R2.822 CCOC(=O)[C@@H]1[C@H]2COC(O)[C@@H]12 Amb25261737 [0,0,0,2,0,0|0,0,2]=4 706 B13R2.822 CCOC(=O)[C@@H]1[C@H]2OCC(=O)[C@H]21 Amb24590915 [0,0,0,2,0,0|2,0,0]=4 707 B13R2.822 CCOC(=O)[C@@H]1[C@H]2[C@@H]1CCC2=O Amb24631631 [0,0,0,2,0,0|1,0,0]=3 708 B13R2.822 CCOC(=O)[C@H]1[C@@H]2OCC(=O)[C@@H]21 Amb24620079 [0,0,0,2,0,0|2,0,0]=4 709 B13R2.822 CCOC(=O)[C@H]1[C@H]2[C@@H]1CCC2=O Amb25179811 [0,0,0,2,0,0|1,0,0]=3 710 B13R2.856 CCOC(=O)C1CC2CCC1O2 Amb22284679 [0,0,0,2,0,0|1,0,1]=4 711 B13R2.3027 O=C1CC2CC(C1)CCOC2=O Amb25282710 [0,0,0,2,0,0|1,0,0]=3 712 B13R2.4857 CC1OC(=O)N2CCCC(=O)C21 Amb25039220 [0,0,0,2,0,0|2,0,0]=4 713 B13R2.166 O=C1CC2CCCC2C(=O)CC1 Amb24432183 [0,0,0,2,0,0|2,0,0]=4 714 B13R2.166 O=C1CC2CCCN2C(=O)CC1 Amb24342034 [0,0,0,2,0,0|2,0,0]=4 715 B13R2.166 O=C1CCC(=O)N[C@@H]2CCC[C@H]12 Amb25357451 [0,0,0,2,0,0|2,0,0]=4 716 B13R2.371 O=C1CCC(=O)C2CCCCC12 Amb24729590 [0,0,0,2,0,0|2,0,0]=4 717 B13R2.371 O=C1CCC(=O)C2CCCCN12 Amb18827181 [0,0,0,2,0,0|2,0,0]=4 718 B13R2.371 O=C1CCC(=O)[C@@H]2CCCC[C@H]12 Amb25821440 [0,0,0,2,0,0|2,0,0]=4 719 B13R2.389 O=C1CCCC[C@@H]2OC(=O)O[C@H]12 Amb25366473 [0,0,0,2,0,0|2,0,0]=4 720 B13R2.389 O=C1C[C@H]2[C@@H](C1)CCCCC2=O Amb25179436 [0,0,0,2,0,0|2,0,0]=4 721 B13R2.389 O=C1C[C@H]2[C@@H](CCC=CC2=O)O1 Amb25272937 [0,0,0,2,0,0|1,0,1]=4 722 B13R2.389 O=C1C[C@H]2[C@H](C1)CCCCC2=O Amb24662498 [0,0,0,2,0,0|2,0,0]=4 723 B13R2.805 CCOC(=O)C1[C@H]2C[C@@H]1CC2=O Amb25339397 [0,0,0,2,0,0|1,0,0]=3 724 B13R2.181 O=C1CCCC1C2CCCC2=O Amb25313247 [0,0,0,2,0,0|2,0,0]=4 725 B13R2.181 O=C1CCC[C@@H]1[C@H]2CCOC2=O Amb25205793 [0,0,0,2,0,0|1,0,0]=3 726 B13R2.181 O=C1CCC[C@H]1[C@@H]2CCCC2=O Amb24617853 [0,0,0,2,0,0|2,0,0]=4 727 B13R2.181 O=C1CCC[C@H]1[C@H]2CCCC2=O Amb25751559 [0,0,0,2,0,0|2,0,0]=4 728 B13R2.3139 O=C(CN1CCOC1=O)C2CC2 Amb25254649 [0,0,0,2,0,0|2,0,0]=4 729 B13R2.3139 O=C1OCCC1NC(=O)C2CC2 Amb24562276 [0,0,0,2,0,0|2,0,0]=4 730 B13R2.3139 O=C1OCCC1OC(=O)C2CC2 Amb24576160 [0,0,0,2,0,0|2,0,0]=4 731 B13R2.3742 CC1OC(=O)CC2C1CCC2=O Amb25202636 [0,0,0,2,0,0|1,0,0]=3 732 B9R0.34 CC#CC(=O)CC(=O)OC Amb24706767 [1,0,0,0,1,0|1,0,1]=4 733 B9R0.34 CC(CC(=O)CC)OCC Amb24631573 [1,0,0,0,1,0|1,0,1]=4 734 B9R0.34 CCC(=O)CC(=O)OCF Amb24383775 [1,0,0,0,1,0|1,0,0]=3 735 B9R0.34 CCC(=O)CC(=S)OCC Amb25834381 [1,0,0,0,1,0|0,1,0]=3 736 B9R0.34 CCC(Br)CC(=O)OCC Amb24695293 [1,0,0,0,1,0|1,0,1]=4 737 B9R0.34 CCC(N)CC(=O)OCC Amb18644203 [1,0,0,0,1,0|1,0,1]=4 738 B9R0.34 CCC(O)CC(=O)OCC Amb24476858 [1,0,0,0,1,0|0,0,2]=4 739 B9R0.34 CCCS(=O)CC(=O)OC Amb18788303 [1,0,0,0,1,0|2,0,0]=4 740 B9R0.34 CCNC(=O)CC(=O)OC Amb17399890 [1,0,0,0,1,0|1,0,0]=3 741 B9R0.34 CCNC(=O)NC(=O)CC Amb25332672 [1,0,0,0,1,0|2,0,0]=4 742 B9R0.34 CCNC(=O)NC(=O)OC Amb24478919 [1,0,0,0,1,0|2,0,0]=4 743 B9R0.34 CCOC(=O)/C=C(/C)OC Amb17673670 [1,0,0,0,1,0|1,0,1]=4 744 B9R0.34 CCOC(=O)CC(=C)CO Amb25056938 [1,0,0,0,1,0|2,0,0]=4 745 B9R0.34 CCOC(=O)CC(=O)C#N Amb25294401 [1,0,0,0,1,0|1,0,1]=4 746 B9R0.34 CCOC(=O)CC(=O)CF Amb25140068 [1,0,0,0,1,0|1,0,0]=3 747 B9R0.34 CCOC(=O)CC(=O)CI Amb10070790 [1,0,0,0,1,0|1,0,0]=3 748 B9R0.34 CCOC(=O)CC(=O)CN Amb18636481 [1,0,0,0,1,0|1,0,0]=3 749 B9R0.34 CCOC(=O)CC(=O)CO Amb25759916 [1,0,0,0,1,0|1,0,0]=3 750 B9R0.34 CCOC(=O)CC(=O)CS Amb20623663 [1,0,0,0,1,0|1,0,0]=3 751 B9R0.34 CCOC(=O)CC(=O)C[Na] Amb24478276 [1,0,0,0,1,0|1,0,0]=3 752 B9R0.34 CCOC(=O)CC(=O)NN Amb1644489 [1,0,0,0,1,0|2,0,0]=4 753 B9R0.34 CCOC(=O)CC(CC)C Amb10807395 [1,0,0,0,1,0|1,0,1]=4 754 B9R0.34 CCOC(=O)CC(N)=NC Amb25695263 [1,0,0,0,1,0|2,0,0]=4 755 B9R0.34 CCOC(=O)NC(=O)CC Amb25804805 [1,0,0,0,1,0|1,0,0]=3 756 B9R0.34 CCOC(=O)NC(=O)CI Amb25730437 [1,0,0,0,1,0|2,0,0]=4 757 B9R0.34 CCOC(=O)NC(=S)CC Amb17613877 [1,0,0,0,1,0|1,1,0]=4 758 B9R0.34 CCO[13C](=O)[13CH2][13C](=O)[13CH2]Cl Amb17613990 [1,0,0,0,1,0|1,0,0]=3 759 B9R0.34 CCS(=O)CC(=O)OCC Amb18788301 [1,0,0,0,1,0|1,0,0]=3 760 B9R0.34 CCSC(=O)CC(=O)CC Amb24402033 [1,0,0,0,1,0|0,1,0]=3 761 B9R0.34 CCSC(=O)NC(=O)CC Amb24452152 [1,0,0,0,1,0|1,1,0]=4 762 B9R0.34 CC[C@@H](N)CC(=O)OCC Amb24351614 [1,0,0,0,1,0|1,0,1]=4 763 B9R0.34 CC[C@@H](O)CC(=O)OCC Amb20241603 [1,0,0,0,1,0|0,0,2]=4 764 B9R0.34 CNC(=O)CC(=O)NCC Amb24544279 [1,0,0,0,1,0|2,0,0]=4 765 B9R0.34 CNC(=O)NC(=O)OCC Amb25185123 [1,0,0,0,1,0|2,0,0]=4 766 B9R0.34 COC(=N)CC(=O)OCC Amb24643488 [1,0,0,0,1,0|1,0,0]=3 767 B9R0.34 COC(=O)CC(=O)CCO Amb25833665 [1,0,0,0,1,0|2,0,0]=4 768 B9R0.34 COC(=O)CC(=O)CSC Amb24441248 [1,0,0,0,1,0|2,0,0]=4 769 B9R0.34 COC(=O)NC(=N)OCC Amb25288244 [1,0,0,0,1,0|2,0,0]=4 770 B9R0.34 COC(=O)NC(=S)OCC Amb24477305 [1,0,0,0,1,0|1,1,0]=4 771 B9R0.34 CON(C)CC(=O)OCC Amb25134510 [1,0,0,0,1,0|2,0,0]=4 772 B9R0.34 C\C(=C/C(=O)CC)\OCC Amb25714458 [1,0,0,0,1,0|1,0,1]=4 773 B9R0.34 C\C(\CC)=C\C(=O)OCC Amb24479412 [1,0,0,0,1,0|1,0,1]=4 774 B9R0.34 C\C=C\C(=O)CC(=O)CC Amb24645388 [1,0,0,0,1,0|1,0,1]=4 775 B9R0.35 CC#CC(=O)C(=O)OCC Amb24662556 [0,0,0,0,2,0|1,0,1]=4 776 B9R0.35 CC(=CCC)C(=O)OCC Amb25032127 [0,0,0,0,2,0|2,0,0]=4 777 B9R0.35 CC(OCC)C(=O)OCC Amb25277049 [0,0,0,0,2,0|1,0,1]=4 778 B9R0.35 CCCC(=O)C(=O)CCC Amb22732205 [0,0,0,0,2,0|2,0,0]=4 779 B9R0.35 CCNC(=O)C(=O)NCC Amb1791698 [0,0,0,0,2,0|2,0,0]=4 780 B9R0.35 CCOC(=O)C(=C)CCC Amb22360691 [0,0,0,0,2,0|2,0,0]=4 781 B9R0.35 CCOC(=O)C(=C)OCC Amb22230635 [0,0,0,0,2,0|1,0,0]=3 782 B9R0.35 CCOC(=O)C(=N)NCC Amb24628273 [0,0,0,0,2,0|2,0,0]=4 783 B9R0.35 CCOC(=O)C(=N)OCC Amb20670112 [0,0,0,0,2,0|1,0,0]=3 784 B9R0.35 CCOC(=O)C(=N)OCC Amb20670977 [0,0,0,0,2,0|1,0,0]=3 785 B9R0.35 CCOC(=O)C(=O)CCCl Amb24705549 [0,0,0,0,2,0|2,0,0]=4 786 B9R0.35 CCOC(=O)C(=S)NCC Amb24461710 [0,0,0,0,2,0|1,1,0]=4 787 B9R0.35 CCOC(=O)C(N)=CCC Amb25294674 [0,0,0,0,2,0|2,0,0]=4 788 B9R0.35 CCOC(=O)C(OCC)O Amb17593682 [0,0,0,0,2,0|0,0,2]=4 789 B9R0.35 CCOC(F)C(=O)OCC Amb25739849 [0,0,0,0,2,0|1,0,1]=4 790 B9R0.35 CCOC(N)C(=O)OCC Amb24569391 [0,0,0,0,2,0|1,0,1]=4 791 B9R0.35 CCO[13C](=O)[13C](=O)OCC Amb22367388 [0,0,0,0,2,0|0,0,0]=2 792 B9R0.35 CCSC(=O)C(=O)SCC Amb24117225 [0,0,0,0,2,0|0,2,0]=4 793 B9R0.35 CN(OCC)C(=O)OCC Amb24449383 [0,0,0,0,2,0|2,0,0]=4 794 B13R0.367 CCCC(=O)OCCOC(=O)CCC Amb22729235 [0,0,0,0,0,2|2,0,0]=4 795 B13R0.367 CCNC(=O)NCCOC(=O)CCC Amb19334002 [0,0,0,0,0,2|2,0,0]=4 796 B13R0.367 CCOC(=O)/C=C/C=C/C(=O)OCC Amb17672578 [0,0,0,0,0,2|0,0,2]=4 797 B13R0.367 CCOC(=O)CCCCC(=O)CCCl Amb22054718 [0,0,0,0,0,2|2,0,0]=4 798 B13R0.367 CCOC(=O)CCCNC(=O)CSC Amb20694105 [0,0,0,0,0,2|2,0,0]=4 799 B13R0.367 CCOC(=O)CC\C=C\C(=O)OCC Amb24117844 [0,0,0,0,0,2|0,0,0]=2 800 B13R0.367 CCOC(=O)CNCCC(=O)OCC Amb16192072 [0,0,0,0,0,2|0,0,0]=2 801 B13R0.367 CCOC(=O)CSSCC(=O)OCC Amb22364434 [0,0,0,0,0,2|0,0,0]=2 802 B13R0.367 CCOC(=O)C\C=C\CC(=O)OCC Amb22231661 [0,0,0,0,0,2|0,0,0]=2 803 B13R0.367 CCOC(=O)C\C=N\NC(=O)OCC Amb10553093 [0,0,0,0,0,2|0,0,1]=3 804 B13R0.367 CCOC(=O)NCCNC(=O)OCC Amb17846717 [0,0,0,0,0,2|0,0,0]=2 805 B13R0.367 CCOC(=O)N\C=C/NC(=O)OCC Amb2386688 [0,0,0,0,0,2|0,0,2]=4 806 B13R0.367 CCOC(=O)OCCOC(=O)OCC Amb22731411 [0,0,0,0,0,2|0,0,0]=2 807 B13R0.367 COCC(=O)NCCCC(=O)OCC Amb20694199 [0,0,0,0,0,2|2,0,0]=4