0 B13R0.674 CCOC(=O)C(=O)C(C)C(=O)OCC Amb9787799 [0,0,0,0,0,0|1,0,2]=3 1 B13R0.674 CCOC(=O)C(=O)C(Cl)C(=O)OCC Amb10071926 [0,0,0,0,0,0|1,0,2]=3 2 B13R0.674 CCOC(=O)C(C)C(O)C(=O)OCC Amb6537807 [0,0,0,0,0,0|1,0,0]=1 3 B13R0.674 CCOC(=O)C(O)C(O)C(=O)OCC Amb8513670 [0,0,0,0,0,0|0,0,0]=0 4 B13R0.674 CCOC(=O)[C@@H](O)[C@@H](Br)C(=O)OCC Amb22744801 [0,0,0,0,0,0|1,0,0]=1 5 B13R0.674 CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC Amb8629241 [0,0,0,0,0,0|0,0,0]=0 6 B13R0.674 CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC Amb8385029 [0,0,0,0,0,0|0,0,0]=0 7 B13R0.674 CCOC(=O)[C@H](O)[C@H](Br)C(=O)OCC Amb35788861 [0,0,0,0,0,0|1,0,0]=1 8 B13R0.674 CCOC(=O)\C(C)=C(/C)C(=O)OCC Amb33986190 [0,0,0,0,0,0|2,0,2]=4 9 B13R0.674 CCOC(=O)\C(C)=C(\C)C(=O)OCC Amb31291455 [0,0,0,0,0,0|2,0,2]=4 10 B12R0.69 C=C(CC(=O)OCC)C(=O)OCC Amb15692707 [1,0,0,0,0,0|1,0,1]=3 11 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC Amb1123761 [1,0,0,0,0,0|1,0,2]=4 12 B12R0.69 CCCC(=O)CC(N)C(=O)OCC Amb33308538 [1,0,0,0,0,0|2,0,0]=3 13 B12R0.69 CCOC(=O)C(F)SC(=S)OCC Amb33313504 [1,0,0,0,0,0|2,1,0]=4 14 B12R0.69 CCOC(=O)C(N)CC(=O)COC Amb32789478 [1,0,0,0,0,0|3,0,0]=4 15 B12R0.69 CCOC(=O)CC(=O)C(=O)OCC Amb10603616 [1,0,0,0,0,0|0,0,2]=3 16 B12R0.69 CCOC(=O)CC(C)C(=O)OCC Amb4035754 [1,0,0,0,0,0|1,0,0]=2 17 B12R0.69 CCOC(=O)CC(N)C(=O)OCC Amb17594907 [1,0,0,0,0,0|1,0,0]=2 18 B12R0.69 CCOC(=O)CC(S)C(=O)OCC Amb22372038 [1,0,0,0,0,0|0,1,0]=2 19 B12R0.69 CCOC(=O)C[C@@H](N)C(=O)OCC Amb22230510 [1,0,0,0,0,0|1,0,0]=2 20 B12R0.69 CCOC(=O)C[C@@H](O)C(=O)OCC Amb3939700 [1,0,0,0,0,0|0,0,0]=1 21 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC Amb22230805 [1,0,0,0,0,0|1,0,0]=2 22 B12R0.69 CCOC(=O)\C=C(/O)C(=O)OCC Amb16230916 [1,0,0,0,0,0|0,0,2]=3 23 B12R0.69 CCOC(=O)\C=C(/[O-])C(=O)OCC Amb95299 [1,0,0,0,0,0|0,0,3]=4 24 B12R0.196 CCOC(=O)C(Br)C(Br)C(=O)OC Amb24095647 [1,0,0,0,0,0|2,0,0]=3 25 B12R0.196 CCOC(=O)C(C)C(=O)C(=O)OC Amb33355355 [1,0,0,0,0,0|1,0,2]=4 26 B14R0.1771 CCOC(=O)C(=O)C(C#N)C(=O)OCC Amb2724728 [0,1,0,0,0,0|1,0,2]=4 27 B14R0.2722 CCOC(=O)C(C)C(F)(F)C(=O)OCC Amb30595084 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.3352 CCOC(=O)C(=O)C1CC(C)OC1=O Amb33713461 [0,0,0,1,0,0|1,0,2]=4 29 B14R1.7241 CCOC(=O)[C@H]1CC[C@H]1C(=O)OCC Amb34912800 [0,0,0,1,0,0|2,0,0]=3 30 B11R0.5 CCONC(C)CC(=O)OCC Amb33295213 [2,0,0,0,0,0|2,0,0]=4 31 B11R0.43 C=C(CC)CC(N)C(=O)OCC Amb33036502 [2,0,0,0,0,0|2,0,0]=4 32 B11R0.43 CCOC(=O)C(=O)CC(=O)CC Amb1106404 [2,0,0,0,0,0|0,0,2]=4 33 B11R0.43 CCOC(=O)C(=O)CC(=O)OC Amb33355345 [2,0,0,0,0,0|0,0,2]=4 34 B11R0.43 CCOC(=O)C(N)CC(=O)CC Amb32867907 [2,0,0,0,0,0|1,0,0]=3 35 B11R0.43 CCOC(C)C(O)CC(=O)OC Amb33425040 [2,0,0,0,0,0|1,0,1]=4 36 B11R0.43 CCOC(C)[C@@H](O)CC(=O)OC Amb33425041 [2,0,0,0,0,0|1,0,1]=4 37 B11R0.43 CCOC(C)[C@H](O)CC(=O)OC Amb33425042 [2,0,0,0,0,0|1,0,1]=4 38 B11R0.62 CCCC(=O)CCC(=O)OCC Amb6305821 [2,0,0,0,0,0|1,0,0]=3 39 B11R0.62 CCOC(=N)CCC(=O)OCC Amb33482586 [2,0,0,0,0,0|1,0,0]=3 40 B11R0.62 CCOC(=N)CCC(=O)OCC Amb33483243 [2,0,0,0,0,0|1,0,0]=3 41 B11R0.62 CCOC(=O)C#CC(=O)OCC Amb6297212 [2,0,0,0,0,0|0,0,2]=4 42 B11R0.62 CCOC(=O)CCC(=O)OCC Amb2793087 [2,0,0,0,0,0|0,0,0]=2 43 B11R0.62 CCOC(=O)CNC(=O)OCCl Amb32675593 [2,0,0,0,0,0|2,0,0]=4 44 B11R0.62 CCOC(=O)CSC(=O)OCC Amb2782297 [2,0,0,0,0,0|1,0,0]=3 45 B11R0.62 CCOC(=O)C\N=C(/C)OCC Amb32663815 [2,0,0,0,0,0|2,0,0]=4 46 B11R0.62 CCOC(=O)\C=C/C(=O)OCC Amb8385109 [2,0,0,0,0,0|0,0,2]=4 47 B11R0.62 CCOC(=O)\C=C\C(=O)OCC Amb6608965 [2,0,0,0,0,0|0,0,2]=4 48 B11R0.62 CCOC(=O)\N=N\C(=O)OCC Amb6297786 [2,0,0,0,0,0|2,0,0]=4 49 B11R0.155 CCOCCC(N)C(=O)OCC Amb18790640 [2,0,0,0,0,0|1,0,1]=4 50 B11R0.187 CCCC(=O)CC(N)C(=O)OC Amb33308785 [2,0,0,0,0,0|2,0,0]=4 51 B11R0.187 CCOC(=O)CC(=O)C(=O)OC Amb33355352 [2,0,0,0,0,0|0,0,2]=4 52 B11R0.187 CCOC(C)CC(O)C(=O)OC Amb33425034 [2,0,0,0,0,0|1,0,1]=4 53 B11R0.58 CCOC(=O)C(O)C(C)C(C)=O Amb28963335 [2,0,0,0,0,0|1,0,0]=3 54 B11R0.66 CNC(=O)C(O)C(O)C(=O)NC Amb1144477 [2,0,0,0,0,0|2,0,0]=4 55 B11R0.66 CNC(=O)[C@@H](O)[C@@H](O)C(=O)NC Amb28252357 [2,0,0,0,0,0|2,0,0]=4 56 B11R0.66 COC(=O)C(Br)C(Br)C(=O)OC Amb2721198 [2,0,0,0,0,0|2,0,0]=4 57 B11R0.66 COC(=O)C(O)C(O)C(=O)OC Amb1781465 [2,0,0,0,0,0|0,0,0]=2 58 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC Amb22747698 [2,0,0,0,0,0|0,0,0]=2 59 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC Amb8627724 [2,0,0,0,0,0|0,0,0]=2 60 B11R0.66 COC(=O)[C@H](F)[C@H](Br)C(=O)OC Amb22735469 [2,0,0,0,0,0|2,0,0]=4 61 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC Amb533028 [2,0,0,0,0,0|0,0,0]=2 62 B11R0.66 COC(=O)\C(O)=C(\O)C(=O)OC Amb2612453 [2,0,0,0,0,0|0,0,2]=4 63 B11R0.177 CCCC(N)C(O)C(=O)OCC Amb32660974 [2,0,0,0,0,0|1,0,1]=4 64 B11R0.177 CCCC(N)C(O)C(=O)OCC Amb32661095 [2,0,0,0,0,0|1,0,1]=4 65 B11R0.177 CCC[C@H](N)C(O)C(=O)OCC Amb32729333 [2,0,0,0,0,0|1,0,1]=4 66 B11R0.177 CCOC(=O)C(N)C(C)OCC Amb32796887 [2,0,0,0,0,0|2,0,0]=4 67 B11R0.177 CCOC(=O)C(O)C(=O)OCC Amb10068673 [2,0,0,0,0,0|0,0,2]=4 68 B13R0.39 C=CCOC(=O)[C@@H](N)CC(=O)OCC Amb33804640 [1,1,0,0,0,0|1,0,1]=4 69 B13R0.225 CCOC(=O)CC(C=O)C(=O)OCC Amb17672648 [1,1,0,0,0,0|0,0,1]=3 70 B13R0.225 CCOC(=O)CC(CBr)C(=O)OCC Amb22752137 [1,1,0,0,0,0|1,0,0]=3 71 B13R0.225 CCOC(=O)\C=C(/O[Na])C(=O)OCC Amb2591555 [1,1,0,0,0,0|0,0,2]=4 72 B13R0.759 CCOC(=O)CC(C)(C)C(=O)OCC Amb33172817 [1,1,0,0,0,0|1,0,0]=3 73 B15R0.4036 CC(C)OC(=O)C(O)C(O)C(=O)OC(C)C Amb8390386 [0,2,0,0,0,0|0,0,0]=2 74 B15R0.4036 CC(C)OC(=O)[C@@H](O)[C@H](O)C(=O)OC(C)C Amb8391111 [0,2,0,0,0,0|0,0,0]=2 75 B15R0.4036 CC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(C)C Amb8628268 [0,2,0,0,0,0|0,0,0]=2 76 B15R0.1017 CCOC(=O)C(O)C(C(=O)OCC)C(C)C Amb30988008 [0,2,0,0,0,0|1,0,0]=3 77 B15R0.4560 CCOC(=O)C(F)(F)C(F)(F)C(=O)OCC Amb8629469 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.12 CCOC(=O)C1CCNC(=O)C1O Amb24694182 [1,0,0,1,0,0|1,0,0]=3 79 B13R1.12 CCOC(=O)[C@H]1CCNC(=O)[C@H]1O Amb27452346 [1,0,0,1,0,0|1,0,0]=3 80 B13R1.470 CCOC(=O)CC1CCCCC1=O Amb10844666 [1,0,0,1,0,0|2,0,0]=4 81 B13R1.470 CCOC(=O)CC1NCCNC1=O Amb2467168 [1,0,0,1,0,0|2,0,0]=4 82 B13R1.470 CCOC(=O)C[C@@H]1NCCNC1=O Amb532948 [1,0,0,1,0,0|2,0,0]=4 83 B13R1.690 CCOC(=O)NC1CC(C)OC1=O Amb24657363 [1,0,0,1,0,0|2,0,0]=4 84 B13R1.1462 CCOC(=O)C1CCCCC(=O)C1 Amb21962583 [1,0,0,1,0,0|2,0,0]=4 85 B13R1.1494 CCOC(=O)C(N)CC(=O)C1CC1 Amb33065686 [1,0,0,1,0,0|2,0,0]=4 86 B13R1.1515 CCOC(=N)[C@@H]1C[C@@H]1C(=O)OCC Amb33299243 [1,0,0,1,0,0|2,0,0]=4 87 B13R1.1515 CCOC(=N)[C@@H]1C[C@H]1C(=O)OCC Amb33484359 [1,0,0,1,0,0|2,0,0]=4 88 B13R1.1515 CCOC(=N)[C@@H]1C[C@H]1C(=O)OCC Amb33484390 [1,0,0,1,0,0|2,0,0]=4 89 B13R1.1515 CCOC(=O)C1CC1C(=O)OCC Amb6357456 [1,0,0,1,0,0|1,0,0]=3 90 B13R1.1515 CCOC(=O)C1NC1C(=O)OCC Amb32665884 [1,0,0,1,0,0|1,0,0]=3 91 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)OCC Amb8513671 [1,0,0,1,0,0|1,0,0]=3 92 B13R1.1515 CCOC(=O)[C@@H]1O[C@H]1C(=O)OCC Amb6357294 [1,0,0,1,0,0|0,0,0]=2 93 B13R1.1515 CCOC(=O)[C@H]1C[C@H]1C(=O)OCC Amb22230539 [1,0,0,1,0,0|1,0,0]=3 94 B13R1.1515 CCOC(=O)[C@H]1N[C@@H]1C(=O)OCC Amb35745473 [1,0,0,1,0,0|1,0,0]=3 95 B13R1.2909 CCOC(=O)C(=O)C1CCOC1=O Amb8384153 [1,0,0,1,0,0|0,0,2]=4 96 B13R1.4456 CCOC(=O)C1=C(O)C(=O)OC1C Amb24742148 [1,0,0,1,0,0|0,0,2]=4 97 B13R1.4456 CCOC(=O)C1C(C)OC(=O)C1O Amb25865482 [1,0,0,1,0,0|0,0,0]=2 98 B13R1.4456 CCOC(=O)C1C(O)C(=O)NN1C Amb28069506 [1,0,0,1,0,0|2,0,0]=4 99 B13R1.4470 CCOC(=O)C1(C)CCCC(=O)C1 Amb28292511 [1,0,0,1,0,0|2,0,0]=4 100 B13R1.696 COC(=O)[C@@H](O)[C@H]1CCCCC1=O Amb27805443 [1,0,0,1,0,0|2,0,0]=4 101 B13R1.696 COC(=O)[C@H](O)[C@@H]1CCCCC1=O Amb27420450 [1,0,0,1,0,0|2,0,0]=4 102 B13R1.696 COC(=O)[C@H](O)[C@H]1CCCCC1=O Amb27219007 [1,0,0,1,0,0|2,0,0]=4 103 B13R1.1559 CCOC(=O)[C@@]1(C)COC(=O)[C@@H]1O Amb27184303 [1,0,0,1,0,0|1,0,0]=3 104 B13R1.4833 COC(=O)[C@@]1(O)[C@H](C)OC(O)[C@H]1O Amb27790392 [1,0,0,1,0,0|0,0,2]=4 105 B13R1.1546 CCOC(=O)[C@@]1(O)CCCC[C@@H]1O Amb27467804 [1,0,0,1,0,0|1,0,1]=4 106 B13R1.1546 CCOC(=O)[C@]1(O)CCCC[C@@H]1O Amb27788400 [1,0,0,1,0,0|1,0,1]=4 107 B13R1.5075 CCOCC1(C)OC1C(=O)OCC Amb32700365 [1,0,0,1,0,0|1,0,1]=4 108 B15R1.776 CCOC(=O)C1CCC(C(=O)OCC)N1 Amb19958605 [0,0,0,1,0,1|2,0,0]=4 109 B15R1.776 CCOC(=O)C1CCC(C(=O)OCC)N1 Amb21962532 [0,0,0,1,0,1|2,0,0]=4 110 B15R1.776 CCOC(=O)[C@@H]1CC[C@@H](C(=O)OCC)N1 Amb32665106 [0,0,0,1,0,1|2,0,0]=4 111 B15R1.776 CCOC(=O)[C@@H]1CC[C@@H](C(=O)OCC)N1 Amb32665107 [0,0,0,1,0,1|2,0,0]=4 112 B15R1.776 CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1 Amb28963699 [0,0,0,1,0,1|2,0,0]=4 113 B15R1.776 CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1 Amb32644841 [0,0,0,1,0,1|2,0,0]=4 114 B15R1.776 CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1 Amb28548932 [0,0,0,1,0,1|2,0,0]=4 115 B15R1.776 CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1 Amb32652078 [0,0,0,1,0,1|2,0,0]=4 116 B15R1.10316 CCOC(=O)C1CCNC1C(=O)OCC Amb22741047 [0,1,0,1,0,0|2,0,0]=4 117 B15R1.10316 CCOC(=O)[C@@H]1CNC[C@@H]1C(=O)OCC Amb13882891 [0,1,0,1,0,0|2,0,0]=4 118 B15R1.10316 CCOC(=O)[C@@H]1OCO[C@H]1C(=O)OCC Amb22887645 [0,1,0,1,0,0|0,0,0]=2 119 B13R0.18 C=C(CCC(=O)OCC)C(=O)OCC Amb32644740 [1,0,0,0,0,1|1,0,1]=4 120 B13R0.18 CCNC(=O)CC[C@H](N)C(=O)OCC Amb33804526 [1,0,0,0,0,1|2,0,0]=4 121 B13R0.18 CCOC(=O)CCC(=O)C(=O)OCC Amb4018672 [1,0,0,0,0,1|0,0,2]=4 122 B13R0.18 CCOC(=O)CCC(O)C(=O)OCC Amb22756241 [1,0,0,0,0,1|0,0,0]=2 123 B13R0.18 CCOC(=O)CC[C@@H](N)C(=O)OCC Amb3499341 [1,0,0,0,0,1|1,0,0]=3 124 B13R0.18 CCOC(=O)CC[C@H](N)C(=O)OCC Amb8395497 [1,0,0,0,0,1|1,0,0]=3 125 B13R0.18 CCOC(=O)CNC(=O)C(=O)OCC Amb2780413 [1,0,0,0,0,1|0,0,2]=4 126 B13R0.89 CCOC(=O)CC(=O)CC(=O)OCC Amb6892982 [1,0,0,0,0,1|0,0,2]=4 127 B13R0.89 CCOC(=O)CC(=O)NC(=O)OCC Amb2751644 [1,0,0,0,0,1|0,0,2]=4 128 B13R0.89 CCOC(=O)CC(O)CC(=O)OCC Amb15692227 [1,0,0,0,0,1|0,0,0]=2 129 B13R0.89 CCOC(=O)CN(C)CC(=O)OCC Amb4017945 [1,0,0,0,0,1|2,0,0]=4 130 B15R0.289 CCOC(=O)C(Br)CCC(Br)C(=O)OCC Amb2722934 [0,0,0,0,0,2|2,0,0]=4 131 B15R0.289 CCOC(=O)[C@@H](Br)CC[C@@H](Br)C(=O)OCC Amb8515359 [0,0,0,0,0,2|2,0,0]=4