0 B11R0.106 CCC(C)CCCCC(=O)OC Amb22489983 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.106 COC(=O)CCCCC(=O)OC Amb2793126 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.106 COC(=O)CCCNC(=O)CBr Amb17330223 [0,0,0,0,0,0|3,0,0]=3 3 B11R0.106 COC(=O)CCCNC(=O)CCl Amb6891987 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.106 COC(=O)CCNCC(=O)OC Amb8867280 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.106 COC(=O)CCSCC(=O)OC Amb2720730 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.106 COC(=O)CNNCC(=O)OC Amb19651359 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.106 COC(=O)C\C=C\CC(=O)OC Amb34910343 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.106 COC(=O)\C=C\C=C\C(=O)OC Amb4006251 [0,0,0,0,0,0|0,0,4]=4 9 B11R0.106 NNC(=O)CCCCC(=O)NN Amb1016573 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.55 C#CC(=O)NCCCC(=O)O Amb6278585 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.55 C=CC(=O)NCCCC(=O)O Amb6264090 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.55 CCC(=O)CCCCC(=O)O Amb6305227 [1,0,0,0,0,0|1,0,0]=2 13 B10R0.55 CCC(C)CCCCC(=O)O Amb24271145 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.55 CNC(=O)CCCCC(=O)O Amb9390746 [1,0,0,0,0,0|1,0,0]=2 15 B10R0.55 CNC(=O)CCCNC(C)=N Amb28080489 [1,0,0,0,0,0|3,0,0]=4 16 B10R0.55 CNC(=O)CCCNC(C)=O Amb27673634 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.55 CNC(=O)CCCNC(N)=O Amb26990808 [1,0,0,0,0,0|3,0,0]=4 18 B10R0.55 CNC(=O)NCCCC(=O)O Amb18305512 [1,0,0,0,0,0|2,0,0]=3 19 B10R0.55 CNC(=O)NCCCC(C)=O Amb27269776 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.55 CNC(=O)NCCCC(N)=O Amb28387497 [1,0,0,0,0,0|3,0,0]=4 21 B10R0.55 CNC(=O)NCCNC(C)=O Amb6846176 [1,0,0,0,0,0|3,0,0]=4 22 B10R0.55 COC(=O)C#CCNC(C)=O Amb27232588 [1,0,0,0,0,0|1,0,2]=4 23 B10R0.55 COC(=O)CCCCC(=O)O Amb3939891 [1,0,0,0,0,0|0,0,0]=1 24 B10R0.55 COC(=O)CCCCC(C)=O Amb21858863 [1,0,0,0,0,0|0,0,0]=1 25 B10R0.55 COC(=O)CCCCC(C)C Amb22887139 [1,0,0,0,0,0|1,0,1]=3 26 B10R0.55 COC(=O)CCCCC(C)N Amb19515545 [1,0,0,0,0,0|1,0,1]=3 27 B10R0.55 COC(=O)CCNCC(C)C Amb8830829 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.55 COC(=O)CNCCN(C)C Amb6714723 [1,0,0,0,0,0|3,0,0]=4 29 B10R0.55 COC(=O)COCCC(C)C Amb9206364 [1,0,0,0,0,0|2,0,1]=4 30 B10R0.55 COC(=O)CSCCC(=O)O Amb9005247 [1,0,0,0,0,0|1,0,0]=2 31 B10R0.55 COC(=O)CSCCC(N)=S Amb2724563 [1,0,0,0,0,0|2,1,0]=4 32 B10R0.55 COC(=O)C\C=C/NC(C)=O Amb27882897 [1,0,0,0,0,0|1,0,2]=4 33 B10R0.55 COC(=O)C\C=C\OC(C)=O Amb17778579 [1,0,0,0,0,0|1,0,2]=4 34 B10R0.55 COC(=O)NCCC=C(C)C Amb27988903 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.55 COC(=O)NCCCC(=O)O Amb6668735 [1,0,0,0,0,0|1,0,0]=2 36 B10R0.55 COC(=O)NCCNC(N)=O Amb28387514 [1,0,0,0,0,0|3,0,0]=4 37 B10R0.55 O=C(O)CCCNC(=O)CCl Amb18791069 [1,0,0,0,0,0|3,0,0]=4 38 B10R0.74 CCCCCCCC(=O)CC Amb6366429 [1,0,0,0,0,0|2,0,1]=4 39 B10R0.74 CCCCCCCC(=O)OC Amb8516706 [1,0,0,0,0,0|1,0,1]=3 40 B10R0.74 CCOCCOCC(=O)OC Amb9206358 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.74 CCSSCCCC(=O)OC Amb33040837 [1,0,0,0,0,0|3,0,0]=4 42 B10R0.74 CNC(=O)CCNCCOC Amb18800374 [1,0,0,0,0,0|2,0,1]=4 43 B10R0.74 COC(=O)CCCCCCBr Amb10604007 [1,0,0,0,0,0|2,0,1]=4 44 B10R0.74 COC(=O)CCCCCCI Amb32410699 [1,0,0,0,0,0|2,0,1]=4 45 B10R0.74 COC(=O)CCCCCCN Amb35747961 [1,0,0,0,0,0|2,0,1]=4 46 B10R0.74 COC(=O)CCCCCCN Amb7762677 [1,0,0,0,0,0|2,0,1]=4 47 B10R0.74 COC(=O)CCCCCCN Amb7969645 [1,0,0,0,0,0|2,0,1]=4 48 B10R0.74 COC(=O)CCCCCCO Amb13887312 [1,0,0,0,0,0|2,0,1]=4 49 B10R0.74 COC(=O)CCCCN=C=O Amb33471355 [1,0,0,0,0,0|3,0,0]=4 50 B10R0.74 COC(=O)CCCCN=C=S Amb33471585 [1,0,0,0,0,0|3,0,0]=4 51 B10R0.74 COC(=O)CCCCN=[N+]=[N-] Amb34912697 [1,0,0,0,0,0|3,0,0]=4 52 B10R0.74 COCCCNCC(=O)OC Amb9204008 [1,0,0,0,0,0|1,0,1]=3 53 B10R0.74 COCCNCCC(=O)OC Amb33545712 [1,0,0,0,0,0|1,0,1]=3 54 B12R0.130 COC(=O)CCNCC(OC)OC Amb33069028 [0,1,0,0,0,0|1,0,2]=4 55 B12R0.147 COC(=O)CSC(C)CC(=O)OC Amb3428900 [0,1,0,0,0,0|1,0,0]=2 56 B12R0.156 CCC(=O)CCCC(N)C(=O)OC Amb33065601 [0,1,0,0,0,0|1,0,0]=2 57 B12R0.156 COC(=O)CCCC(C)C(=O)OC Amb4016453 [0,1,0,0,0,0|0,0,0]=1 58 B12R0.156 COC(=O)CSCC(C)C(=O)OC Amb9263833 [0,1,0,0,0,0|1,0,0]=2 59 B12R0.186 COC(=O)CCCCC(C)C(C)=O Amb20669329 [0,1,0,0,0,0|2,0,1]=4 60 B12R0.186 COC(=O)CCCNC(=O)C(C)Br Amb17328309 [0,1,0,0,0,0|2,0,0]=3 61 B12R0.186 COC(=O)CCSCC(=O)C(=O)O Amb33069689 [0,1,0,0,0,0|3,0,0]=4 62 B12R0.276 C=CC(=O)CCCCC(=O)OCC Amb2695125 [0,1,0,0,0,0|1,0,1]=3 63 B12R0.276 CCOC(=O)CCCCC(=O)CC Amb6305808 [0,1,0,0,0,0|1,0,0]=2 64 B12R0.276 CCOC(=O)CCCNC(=O)CCl Amb1216562 [0,1,0,0,0,0|3,0,0]=4 65 B12R0.276 COC(=O)CCCNC(=O)CCBr Amb17326232 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.24 CCC(=O)C1CCCC(=O)C1=O Amb26583056 [0,0,0,1,0,0|3,0,0]=4 67 B12R1.24 CN1C(=O)CCCC1C(=O)NN Amb27392612 [0,0,0,1,0,0|3,0,0]=4 68 B12R1.24 COC(=O)C1CCCC(=O)C1=O Amb25110385 [0,0,0,1,0,0|2,0,0]=3 69 B12R1.24 COC(=O)C1CCCC(=O)N1C Amb23439985 [0,0,0,1,0,0|1,0,0]=2 70 B12R1.24 COC(=O)C1CCNC(=O)C1O Amb27786923 [0,0,0,1,0,0|3,0,0]=4 71 B12R1.26 CCC(=O)NCC1CNC(=O)C1 Amb27468850 [0,0,0,1,0,0|3,0,0]=4 72 B12R1.26 CNC(=O)CCN1CCC(=O)C1 Amb27195379 [0,0,0,1,0,0|3,0,0]=4 73 B12R1.26 CNC(=O)NCC1CNC(=O)C1 Amb27447602 [0,0,0,1,0,0|3,0,0]=4 74 B12R1.26 COC(=O)NCC1CCC(=O)N1 Amb27976473 [0,0,0,1,0,0|3,0,0]=4 75 B12R1.26 COC(=O)NCC1CNC(=O)O1 Amb28127704 [0,0,0,1,0,0|3,0,0]=4 76 B12R1.49 CCC(=O)OC1CCC(=O)CC1 Amb27177801 [0,0,0,1,0,0|3,0,0]=4 77 B12R1.49 CNC(=O)CC1CCC(=O)CC1 Amb27479548 [0,0,0,1,0,0|2,0,0]=3 78 B12R1.49 CNC(=O)CN1CCC(=O)CC1 Amb6265206 [0,0,0,1,0,0|3,0,0]=4 79 B12R1.49 CNC(=O)NC1CCC(=O)CC1 Amb27205461 [0,0,0,1,0,0|3,0,0]=4 80 B12R1.49 COC(=O)C=C1CCC(=O)CC1 Amb20248158 [0,0,0,1,0,0|1,0,2]=4 81 B12R1.49 COC(=O)CC1CCC(=O)CC1 Amb8391814 [0,0,0,1,0,0|1,0,0]=2 82 B12R1.49 COC(=O)CC1CCC(C)CC1 Amb27668948 [0,0,0,1,0,0|2,0,1]=4 83 B12R1.49 COC(=O)CC1CCC(Cl)CC1 Amb20247604 [0,0,0,1,0,0|2,0,1]=4 84 B12R1.49 COC(=O)CC1CCC(O)CC1 Amb20247603 [0,0,0,1,0,0|1,0,2]=4 85 B12R1.49 COC(=O)CC1CCC([NH3+])CC1 Amb9805883 [0,0,0,1,0,0|2,0,1]=4 86 B12R1.49 COC(=O)CC1CCN(C)CC1 Amb20241886 [0,0,0,1,0,0|3,0,0]=4 87 B12R1.49 COC(=O)CN1CCC(=O)CC1 Amb6265271 [0,0,0,1,0,0|2,0,0]=3 88 B12R1.49 COC(=O)CN1CCS(=O)CC1 Amb18320214 [0,0,0,1,0,0|3,0,0]=4 89 B12R1.49 COC(=O)C[C@H]1CC[C@@H](N)CC1 Amb27598028 [0,0,0,1,0,0|2,0,1]=4 90 B12R1.49 COC(=O)NC1CCC(=O)CC1 Amb9517827 [0,0,0,1,0,0|2,0,0]=3 91 B12R1.49 COC(=O)NC1CCC(C)OC1 Amb30018120 [0,0,0,1,0,0|2,0,1]=4 92 B12R1.49 COC(=O)N[C@@H]1CC=C(C)CC1 Amb27388481 [0,0,0,1,0,0|3,0,0]=4 93 B12R1.61 COC(=O)NC1CCC(OC)C1 Amb27476741 [0,0,0,1,0,0|2,0,1]=4 94 B12R1.435 CCC1CCCC(C(=O)OC)N1 Amb27153847 [0,0,0,1,0,0|2,0,1]=4 95 B12R1.435 CCN1CCC[C@@H](C(=O)OC)C1 Amb27220091 [0,0,0,1,0,0|3,0,0]=4 96 B12R1.435 CC[C@@H]1CCC[C@H](C(=O)OC)N1 Amb27776838 [0,0,0,1,0,0|2,0,1]=4 97 B12R1.435 CNC(=O)C1CCCC(OC)C1 Amb28241815 [0,0,0,1,0,0|2,0,1]=4 98 B12R1.435 COC(=O)C1CC(OC)CCN1 Amb25246006 [0,0,0,1,0,0|2,0,1]=4 99 B12R1.435 COC(=O)C1CCN=C(OC)C1 Amb32668293 [0,0,0,1,0,0|2,0,0]=3 100 B12R1.435 COC(=O)C1CNCC(OC)C1 Amb25211280 [0,0,0,1,0,0|2,0,1]=4 101 B12R1.1007 O=C1CCCCC(=O)OCCC1 Amb17594258 [0,0,0,1,0,0|1,0,0]=2 102 B12R1.1007 O=C1CCCCC(=O)OCCO1 Amb25892017 [0,0,0,1,0,0|0,0,0]=1 103 B12R1.1007 O=C1CCCCC(O)CCCO1 Amb27443581 [0,0,0,1,0,0|1,0,2]=4 104 B12R1.1658 CCC(=O)N1CCCC(=O)CC1 Amb27175994 [0,0,0,1,0,0|3,0,0]=4 105 B12R1.1658 COC(=O)C1=CCC(=O)CCC1 Amb27409549 [0,0,0,1,0,0|1,0,2]=4 106 B12R1.1658 COC(=O)C1=CCCC(=O)CC1 Amb27177987 [0,0,0,1,0,0|1,0,2]=4 107 B12R1.1658 COC(=O)C1CCCC(=O)CC1 Amb22490237 [0,0,0,1,0,0|1,0,0]=2 108 B12R1.1658 COC(=O)C1CCCC(N)CC1 Amb33299448 [0,0,0,1,0,0|2,0,1]=4 109 B12R1.1658 COC(=O)C1CCCC(O)CC1 Amb27864207 [0,0,0,1,0,0|1,0,2]=4 110 B12R1.1658 COC(=O)C1CCCN(C)CC1 Amb24753196 [0,0,0,1,0,0|3,0,0]=4 111 B12R1.1658 COC(=O)C1CCNC(=O)CC1 Amb26993027 [0,0,0,1,0,0|2,0,0]=3 112 B12R1.1658 COC(=O)N1CCCC(=O)CC1 Amb27177616 [0,0,0,1,0,0|2,0,0]=3 113 B12R1.1658 COC(=O)N1CCOC(=O)CC1 Amb25375156 [0,0,0,1,0,0|3,0,0]=4 114 B12R1.1672 C=C(CC)CC1CCC(=O)C1C Amb27770245 [0,0,0,1,0,0|3,0,0]=4 115 B12R1.1672 CC1C(=O)CCC1CC(=O)NO Amb27804659 [0,0,0,1,0,0|3,0,0]=4 116 B12R1.1672 COC(=O)CC1=C(O)C(=O)CC1 Amb27433529 [0,0,0,1,0,0|2,0,1]=4 117 B12R1.1672 COC(=O)CC1=CCC(=O)N1C Amb21955341 [0,0,0,1,0,0|1,0,2]=4 118 B12R1.1672 COC(=O)CC1CCC(=O)C1C Amb24647998 [0,0,0,1,0,0|1,0,0]=2 119 B12R1.1672 COC(=O)C[C@@H]1CCC(=O)C1C Amb27828906 [0,0,0,1,0,0|1,0,0]=2 120 B12R1.1672 COC(=O)\C=C1\CCC(=O)N1C Amb27963900 [0,0,0,1,0,0|1,0,2]=4 121 B12R1.1710 CNC(=O)C1CCC1C(=O)OC Amb28316321 [0,0,0,1,0,0|1,0,0]=2 122 B12R1.1710 COC(=O)C1=C(C(=O)OC)CC1 Amb10601420 [0,0,0,1,0,0|0,0,2]=3 123 B12R1.1710 COC(=O)C1CCC1C(=O)NO Amb28190095 [0,0,0,1,0,0|2,0,0]=3 124 B12R1.1710 COC(=O)C1CCC1C(=O)OC Amb22730959 [0,0,0,1,0,0|0,0,0]=1 125 B12R1.1710 COC(=O)[C@@H]1CC[C@H]1C(=O)OC Amb9786848 [0,0,0,1,0,0|0,0,0]=1 126 B12R1.1710 COC(=O)[C@H]1CC[C@H]1C(=O)OC Amb33714537 [0,0,0,1,0,0|0,0,0]=1 127 B10R0.59 C=CC(=O)NCCC(=O)OC Amb9531118 [0,0,0,0,1,0|2,0,1]=4 128 B10R0.59 CCC(=O)CCCC(=O)OC Amb17593954 [0,0,0,0,1,0|1,0,0]=2 129 B10R0.59 CNC(=N)NCCC(=O)OC Amb18182413 [0,0,0,0,1,0|3,0,0]=4 130 B10R0.59 CNC(=O)CCCC(=O)NC Amb25384409 [0,0,0,0,1,0|2,0,0]=3 131 B10R0.59 CNC(=O)CNCC(=O)NC Amb8938852 [0,0,0,0,1,0|3,0,0]=4 132 B10R0.59 CNC(=O)COCC(=O)NC Amb22372031 [0,0,0,0,1,0|3,0,0]=4 133 B10R0.59 CNC(=O)CSCC(=O)NC Amb27269993 [0,0,0,0,1,0|3,0,0]=4 134 B10R0.59 CNC(=O)NCCC(=O)OC Amb27266771 [0,0,0,0,1,0|2,0,0]=3 135 B10R0.59 COC(=O)C=C=CC(=O)OC Amb26990580 [0,0,0,0,1,0|0,0,3]=4 136 B10R0.59 COC(=O)CCCC(=O)OC Amb8513144 [0,0,0,0,1,0|0,0,0]=1 137 B10R0.59 COC(=O)CCNC(=O)CCl Amb5722346 [0,0,0,0,1,0|3,0,0]=4 138 B10R0.59 COC(=O)CNCC(=O)OC Amb2759492 [0,0,0,0,1,0|1,0,0]=2 139 B10R0.59 COC(=O)CNCC(=O)OC Amb6707561 [0,0,0,0,1,0|1,0,0]=2 140 B10R0.59 COC(=O)COCC(=O)OC Amb9787367 [0,0,0,0,1,0|1,0,0]=2 141 B10R0.59 COC(=O)CSCC(=O)OC Amb839594 [0,0,0,0,1,0|1,0,0]=2 142 B10R0.59 COC(=O)NCCC(=O)NN Amb27988674 [0,0,0,0,1,0|3,0,0]=4 143 B10R0.59 COC(=O)NCCC(=O)NO Amb27988901 [0,0,0,0,1,0|3,0,0]=4 144 B10R0.59 COC(=O)\C=C/NC(=O)OC Amb27754045 [0,0,0,0,1,0|1,0,2]=4 145 B10R0.59 COC(=O)\C=C\CC(=O)OC Amb13777320 [0,0,0,0,1,0|0,0,2]=3 146 B10R0.59 COC(=O)\C=C\NC(=O)OC Amb27841164 [0,0,0,0,1,0|1,0,2]=4 147 B12R0.183 COC(=O)CCCCCC(=O)OC Amb8513790 [0,0,0,0,0,1|0,0,0]=1 148 B12R0.183 COC(=O)CCCSCC(=O)OC Amb9482224 [0,0,0,0,0,1|0,0,0]=1 149 B12R0.183 COC(=O)CCNCCC(=O)OC Amb18324245 [0,0,0,0,0,1|0,0,0]=1 150 B12R0.183 COC(=O)CCSCCC(=O)OC Amb6891935 [0,0,0,0,0,1|0,0,0]=1 151 B12R0.183 COC(=O)CNCCCC(C)OC Amb33133295 [0,0,0,0,0,1|1,0,1]=3 152 B12R0.183 COC(=O)CSCSCC(=O)OC Amb2725418 [0,0,0,0,0,1|1,0,0]=2 153 B9R0.2 CCCCCCCC(=O)O Amb3940371 [2,0,0,0,0,0|1,0,1]=4 154 B9R0.2 CCCCCCCC(C)=O Amb6891951 [2,0,0,0,0,0|1,0,1]=4 155 B9R0.2 CCNCCCCC(=O)O Amb24385094 [2,0,0,0,0,0|2,0,0]=4 156 B9R0.2 CCNCCCCC(=O)O Amb32686610 [2,0,0,0,0,0|2,0,0]=4 157 B9R0.2 CCNCCCCC(C)=O Amb27951143 [2,0,0,0,0,0|2,0,0]=4 158 B9R0.2 CCOCCCCC(=O)O Amb9207786 [2,0,0,0,0,0|2,0,0]=4 159 B9R0.2 CCOCCCCC(C)=O Amb9659807 [2,0,0,0,0,0|2,0,0]=4 160 B9R0.2 CCSCCCCC(=O)O Amb7782874 [2,0,0,0,0,0|2,0,0]=4 161 B9R0.2 CNCCCCCC(C)=O Amb25728176 [2,0,0,0,0,0|1,0,1]=4 162 B9R0.2 COCCCCCC(=O)O Amb10607872 [2,0,0,0,0,0|0,0,1]=3 163 B9R0.2 COCCCCCC(C)=O Amb27227265 [2,0,0,0,0,0|0,0,1]=3 164 B9R0.2 COCCCCNC(C)=O Amb27170819 [2,0,0,0,0,0|1,0,1]=4 165 B9R0.2 COCCCCOC(C)=O Amb24325176 [2,0,0,0,0,0|1,0,1]=4 166 B9R0.2 COCCCOCC(=O)O Amb25304314 [2,0,0,0,0,0|1,0,1]=4 167 B9R0.2 COCCNCCC(=O)O Amb33527038 [2,0,0,0,0,0|1,0,1]=4 168 B9R0.2 COCCNCCC(=O)O Amb7755691 [2,0,0,0,0,0|1,0,1]=4 169 B9R0.2 COCCNCCC(C)=O Amb24473587 [2,0,0,0,0,0|1,0,1]=4 170 B9R0.2 COCCOCCC(=O)O Amb6268336 [2,0,0,0,0,0|1,0,1]=4 171 B9R0.2 CO\N=C\CCCC(C)=O Amb27267149 [2,0,0,0,0,0|1,0,1]=4 172 B9R0.2 CSCCCCCC(=O)O Amb27444761 [2,0,0,0,0,0|0,1,1]=4 173 B9R0.2 CS\C=C\CCCC(C)=O Amb28054428 [2,0,0,0,0,0|0,1,1]=4 174 B9R0.2 C[NH2+]CCCCCC(=O)O Amb9791271 [2,0,0,0,0,0|1,0,1]=4 175 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [2,0,0,0,0,0|1,0,0]=3 176 B9R0.2 C\C=C\CCCCC(C)=O Amb25252247 [2,0,0,0,0,0|1,0,0]=3 177 B9R0.2 C\C=C\CCCNC(C)=O Amb24668710 [2,0,0,0,0,0|2,0,0]=4 178 B9R0.2 C\C=C\CCOCC(=O)O Amb28340908 [2,0,0,0,0,0|2,0,0]=4 179 B9R0.2 NOCCCCCC(=O)O Amb32708458 [2,0,0,0,0,0|1,0,1]=4 180 B9R0.2 O=C(O)CCCC\C=C\Br Amb26542054 [2,0,0,0,0,0|2,0,0]=4 181 B9R0.46 C#CCCCCC(=O)OC Amb18636156 [2,0,0,0,0,0|0,0,2]=4 182 B9R0.46 C=CCCCCC(=O)OC Amb27617093 [2,0,0,0,0,0|0,0,1]=3 183 B9R0.46 C=CCNCCC(=O)OC Amb33550492 [2,0,0,0,0,0|1,0,1]=4 184 B9R0.46 C=CCOCCC(=O)OC Amb9208692 [2,0,0,0,0,0|1,0,1]=4 185 B9R0.46 C=CCSCCC(=O)OC Amb27875920 [2,0,0,0,0,0|1,0,1]=4 186 B9R0.46 CCC(=O)CCCCCO Amb27627259 [2,0,0,0,0,0|1,0,1]=4 187 B9R0.46 CCC(=O)NCCCOC Amb17775258 [2,0,0,0,0,0|2,0,0]=4 188 B9R0.46 CCCCCCC(=O)CC Amb2720775 [2,0,0,0,0,0|1,0,1]=4 189 B9R0.46 CCCCCCC(=O)OC Amb9787230 [2,0,0,0,0,0|0,0,1]=3 190 B9R0.46 CCCCCOC(=O)OC Amb26480707 [2,0,0,0,0,0|1,0,1]=4 191 B9R0.46 CCCCSCC(=O)OC Amb9262932 [2,0,0,0,0,0|1,0,1]=4 192 B9R0.46 CCNCCCC(=O)OC Amb22886193 [2,0,0,0,0,0|1,0,1]=4 193 B9R0.46 CCNCCCC(=O)OC Amb8951853 [2,0,0,0,0,0|1,0,1]=4 194 B9R0.46 CCOCCCC(=O)OC Amb8961279 [2,0,0,0,0,0|1,0,1]=4 195 B9R0.46 CC\C=C\CCC(=O)OC Amb25350136 [2,0,0,0,0,0|1,0,1]=4 196 B9R0.46 CNC(=O)CCCCC=O Amb25339730 [2,0,0,0,0,0|1,0,0]=3 197 B9R0.46 CNC(=O)CCCCCO Amb27592471 [2,0,0,0,0,0|1,0,1]=4 198 B9R0.46 CNC(=O)CCCNC=O Amb27959411 [2,0,0,0,0,0|2,0,0]=4 199 B9R0.46 CNC(=O)CCCNOC Amb27838996 [2,0,0,0,0,0|2,0,0]=4 200 B9R0.46 CNC(=O)CSCCC=O Amb27602014 [2,0,0,0,0,0|2,0,0]=4 201 B9R0.46 CNC(=O)NCCCOC Amb2132785 [2,0,0,0,0,0|2,0,0]=4 202 B9R0.46 CNCCCCC(=O)OC Amb25725637 [2,0,0,0,0,0|1,0,0]=3 203 B9R0.46 CNCCCCC(=O)OC Amb32676714 [2,0,0,0,0,0|1,0,0]=3 204 B9R0.46 CNCCOCC(=O)OC Amb27481250 [2,0,0,0,0,0|2,0,0]=4 205 B9R0.46 CNCCSCC(=O)OC Amb18798231 [2,0,0,0,0,0|2,0,0]=4 206 B9R0.46 COC(=O)CCCCC=O Amb16233585 [2,0,0,0,0,0|0,0,0]=2 207 B9R0.46 COC(=O)CCCCCBr Amb4017062 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.46 COC(=O)CCCCCCl Amb25703167 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.46 COC(=O)CCCCCN Amb1152885 [2,0,0,0,0,0|1,0,1]=4 210 B9R0.46 COC(=O)CCCCCN Amb1935045 [2,0,0,0,0,0|1,0,1]=4 211 B9R0.46 COC(=O)CCCCCO Amb22002577 [2,0,0,0,0,0|0,0,1]=3 212 B9R0.46 COC(=O)CCCCCS Amb25934957 [2,0,0,0,0,0|0,1,1]=4 213 B9R0.46 COC(=O)CCCN=C=O Amb2688917 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.46 COC(=O)CCCNC=O Amb27615072 [2,0,0,0,0,0|1,0,0]=3 215 B9R0.46 COC(=O)CCCSSC Amb32992714 [2,0,0,0,0,0|1,1,0]=4 216 B9R0.46 COC(=O)CCC\C=C/Cl Amb28076519 [2,0,0,0,0,0|1,0,1]=4 217 B9R0.46 COC(=O)CCNCCO Amb9243303 [2,0,0,0,0,0|1,0,1]=4 218 B9R0.46 COC(=O)CCOCCO Amb33986072 [2,0,0,0,0,0|1,0,1]=4 219 B9R0.46 COC(=O)CNCCCO Amb9247002 [2,0,0,0,0,0|1,0,1]=4 220 B9R0.46 COC(=O)CNCCSC Amb27244506 [2,0,0,0,0,0|1,1,0]=4 221 B9R0.46 COC(=O)COCCSC Amb28256796 [2,0,0,0,0,0|1,1,0]=4 222 B9R0.46 COC(=O)NCCCCO Amb27251899 [2,0,0,0,0,0|1,0,1]=4 223 B9R0.46 COC(=O)NCCCSC Amb28050553 [2,0,0,0,0,0|1,1,0]=4 224 B9R0.46 COCCCCC(=O)CO Amb28254576 [2,0,0,0,0,0|2,0,0]=4 225 B9R0.46 COCCCCN(C)OC Amb28315967 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.46 COCCNCC(=O)OC Amb6707178 [2,0,0,0,0,0|1,0,0]=3 227 B9R0.46 COCCOCC(=O)OC Amb9206379 [2,0,0,0,0,0|1,0,0]=3 228 B9R0.46 COCCSCC(=O)OC Amb9238654 [2,0,0,0,0,0|1,0,0]=3 229 B9R0.46 CONCCCC(=O)OC Amb27250548 [2,0,0,0,0,0|1,0,0]=3 230 B9R0.46 C\C=C\CCCC(=O)CC Amb26388423 [2,0,0,0,0,0|1,0,1]=4 231 B9R0.46 C\C=C\CNCC(=O)OC Amb27263471 [2,0,0,0,0,0|1,0,1]=4 232 B9R0.46 [C-]#[N+]CCCCC(=O)OC Amb2688987 [2,0,0,0,0,0|1,0,1]=4 233 B9R0.55 C=C(C)CCOCC(C)=O Amb28318908 [2,0,0,0,0,0|2,0,0]=4 234 B9R0.55 C=C(C)CCSCC(C)=O Amb27469207 [2,0,0,0,0,0|2,0,0]=4 235 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [2,0,0,0,0,0|2,0,0]=4 236 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [2,0,0,0,0,0|1,0,1]=4 237 B9R0.55 CC(=O)CCCC=C(C)C Amb28053965 [2,0,0,0,0,0|1,0,1]=4 238 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [2,0,0,0,0,0|0,0,0]=2 239 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [2,0,0,0,0,0|0,0,0]=2 240 B9R0.55 CC(=O)CCCCC(C)O Amb27838002 [2,0,0,0,0,0|0,0,2]=4 241 B9R0.55 CC(=O)CCCCN(C)C Amb9659130 [2,0,0,0,0,0|2,0,0]=4 242 B9R0.55 CC(=O)CCCCS(C)=O Amb27412643 [2,0,0,0,0,0|1,0,0]=3 243 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [2,0,0,0,0,0|1,0,0]=3 244 B9R0.55 CC(=O)CCCNS(C)=O Amb27774835 [2,0,0,0,0,0|2,0,0]=4 245 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [2,0,0,0,0,0|1,0,0]=3 246 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [2,0,0,0,0,0|1,0,0]=3 247 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [2,0,0,0,0,0|1,0,0]=3 248 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [2,0,0,0,0,0|1,0,0]=3 249 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [2,0,0,0,0,0|0,0,2]=4 250 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [2,0,0,0,0,0|1,0,0]=3 251 B9R0.55 CC(=O)NCCCS(C)=O Amb27786571 [2,0,0,0,0,0|2,0,0]=4 252 B9R0.55 CC(=O)NCCNC(C)=O Amb2522644 [2,0,0,0,0,0|2,0,0]=4 253 B9R0.55 CC(=O)NCCOC(C)=O Amb2781669 [2,0,0,0,0,0|2,0,0]=4 254 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [2,0,0,0,0,0|2,0,0]=4 255 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [2,0,0,0,0,0|1,0,0]=3 256 B9R0.55 CC(=O)OCCOC(C)=O Amb8513772 [2,0,0,0,0,0|2,0,0]=4 257 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [2,0,0,0,0,0|1,0,0]=3 258 B9R0.55 CC(C)CCCCC(=O)O Amb10576144 [2,0,0,0,0,0|1,0,1]=4 259 B9R0.55 CC(N)CCCCC(=O)O Amb18644199 [2,0,0,0,0,0|1,0,1]=4 260 B9R0.55 CC(N)CCCCC(=O)O Amb19515386 [2,0,0,0,0,0|1,0,1]=4 261 B9R0.55 CN(C)CCCCC(=O)O Amb19275569 [2,0,0,0,0,0|2,0,0]=4 262 B9R0.55 CN(C)CCCCC(=O)O Amb7783201 [2,0,0,0,0,0|2,0,0]=4 263 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [2,0,0,0,0,0|1,0,0]=3 264 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [2,0,0,0,0,0|2,0,0]=4 265 B9R0.55 C[C@@H](N)CCCCC(=O)O Amb25877255 [2,0,0,0,0,0|1,0,1]=4 266 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [2,0,0,0,0,0|1,0,1]=4 267 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [2,0,0,0,0,0|1,0,0]=3 268 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [2,0,0,0,0,0|2,0,0]=4 269 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [2,0,0,0,0,0|2,0,0]=4 270 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [2,0,0,0,0,0|2,0,0]=4 271 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [2,0,0,0,0,0|2,0,0]=4 272 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [2,0,0,0,0,0|0,0,2]=4 273 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [2,0,0,0,0,0|1,0,0]=3 274 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [2,0,0,0,0,0|0,0,0]=2 275 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [2,0,0,0,0,0|0,0,0]=2 276 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [2,0,0,0,0,0|0,0,0]=2 277 B9R0.55 O=C(O)CCCCC(O)O Amb28143854 [2,0,0,0,0,0|0,0,2]=4 278 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [2,0,0,0,0,0|1,0,0]=3 279 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [2,0,0,0,0,0|2,0,0]=4 280 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [2,0,0,0,0,0|2,0,0]=4 281 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [2,0,0,0,0,0|0,0,2]=4 282 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [2,0,0,0,0,0|2,0,0]=4 284 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [2,0,0,0,0,0|0,0,2]=4 285 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [2,0,0,0,0,0|0,0,2]=4 286 B9R0.45 COCCCCCCOC Amb10807404 [2,0,0,0,0,0|0,0,2]=4 287 B9R0.45 CONCCCCNOC Amb28453897 [2,0,0,0,0,0|2,0,0]=4 288 B11R0.29 CC(C)C(=O)CCCCC(=O)O Amb6305283 [1,1,0,0,0,0|1,0,0]=3 289 B11R0.29 CC(C)C(=O)NCCCC(=O)O Amb1113944 [1,1,0,0,0,0|2,0,0]=4 290 B11R0.29 CN(C)C(=O)CCCCC(=O)O Amb9306390 [1,1,0,0,0,0|1,0,0]=3 291 B11R0.29 O=C(O)CCCCC(=O)C(=O)O Amb33470212 [1,1,0,0,0,0|2,0,0]=4 292 B11R0.93 COC(=O)CC(N)CCC(C)C Amb33308140 [1,1,0,0,0,0|1,0,1]=4 293 B11R0.93 COC(=O)CC(O)CCN(C)C Amb33271972 [1,1,0,0,0,0|2,0,0]=4 294 B11R0.93 COC(=O)CC(O)COC(C)=O Amb17778578 [1,1,0,0,0,0|1,0,0]=3 295 B11R0.93 COC(=O)C[C@@H](O)CCN(C)C Amb33271975 [1,1,0,0,0,0|2,0,0]=4 296 B11R0.93 COC(=O)C[C@H](O)CCN(C)C Amb33271974 [1,1,0,0,0,0|2,0,0]=4 297 B11R0.107 COC(=O)CCC(=O)CC(C)=O Amb17334875 [1,1,0,0,0,0|0,0,1]=3 298 B11R0.107 COC(=O)CCC(C)CC(C)=O Amb32667486 [1,1,0,0,0,0|0,0,0]=2 299 B11R0.107 COC(=O)CCC(N)CC(C)C Amb18790111 [1,1,0,0,0,0|1,0,1]=4 300 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33621268 [1,1,0,0,0,0|0,0,0]=2 301 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33744519 [1,1,0,0,0,0|0,0,0]=2 302 B11R0.109 CCC(=O)CCCC(N)C(=O)O Amb33036923 [1,1,0,0,0,0|1,0,0]=3 303 B11R0.109 CCC(=O)CCCC(N)C(N)=O Amb33308786 [1,1,0,0,0,0|2,0,0]=4 304 B11R0.109 CCC(=O)CCC[C@@H](N)C(=O)O Amb32864919 [1,1,0,0,0,0|1,0,0]=3 305 B11R0.109 CCC(=O)CCC[C@H](N)C(=O)O Amb33309055 [1,1,0,0,0,0|1,0,0]=3 306 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O Amb13884888 [1,1,0,0,0,0|0,0,0]=2 307 B11R0.109 COC(=O)CSCC(=O)C(=O)O Amb33069686 [1,1,0,0,0,0|1,0,1]=4 308 B11R0.109 COC(=O)CSCC(N)C(=O)O Amb6273780 [1,1,0,0,0,0|1,0,0]=3 309 B11R0.114 COC(=O)CCCCS(=O)(=O)Cl Amb30628521 [1,1,0,0,0,0|1,0,1]=4 310 B11R0.114 COC(=O)CCCCS(N)(=O)=O Amb32715470 [1,1,0,0,0,0|1,0,1]=4 311 B11R0.127 CCS(=O)(=O)CCCCC(=O)O Amb9303293 [1,1,0,0,0,0|2,0,0]=4 312 B11R0.127 COC(C)(C)CCCCC(=O)O Amb33359823 [1,1,0,0,0,0|1,0,1]=4 313 B11R0.145 COC(=O)C(N)CCC=C(C)C Amb32940434 [1,1,0,0,0,0|1,0,1]=4 314 B11R0.145 COC(=O)C(N)CCCC(C)=O Amb33065910 [1,1,0,0,0,0|0,0,0]=2 315 B11R0.145 COC(=O)C(N)CCCC(C)C Amb33066270 [1,1,0,0,0,0|1,0,1]=4 316 B11R0.145 COC(=O)C(N)CCCC(C)O Amb33308532 [1,1,0,0,0,0|0,0,2]=4 317 B11R0.145 COC(=O)C(N)CCCN(C)C Amb33065892 [1,1,0,0,0,0|2,0,0]=4 318 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666268 [1,1,0,0,0,0|1,0,0]=3 319 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666269 [1,1,0,0,0,0|1,0,0]=3 320 B11R0.145 COC(=O)C(O)CCCN(C)C Amb33272930 [1,1,0,0,0,0|2,0,0]=4 321 B11R0.145 COC(=O)N(C)CCCC(=O)O Amb33531921 [1,1,0,0,0,0|1,0,0]=3 322 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653054 [1,1,0,0,0,0|1,0,0]=3 323 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653055 [1,1,0,0,0,0|1,0,0]=3 324 B11R0.176 C=C(Br)CCCCC(=O)OCC Amb6298919 [1,1,0,0,0,0|1,0,1]=4 325 B11R0.176 C=C(C)CCCCC(=O)OCC Amb6298923 [1,1,0,0,0,0|1,0,0]=3 326 B11R0.176 C=C(Cl)CCCCC(=O)OCC Amb6298915 [1,1,0,0,0,0|1,0,1]=4 327 B11R0.176 CCCC(=O)CCCCC(=O)O Amb6305241 [1,1,0,0,0,0|1,0,0]=3 328 B11R0.176 CCCC(=O)NCCCC(=O)O Amb5741969 [1,1,0,0,0,0|2,0,0]=4 329 B11R0.176 CCOC(=O)CCCCC(=O)O Amb3939942 [1,1,0,0,0,0|0,0,0]=2 330 B11R0.176 CCOC(=O)CCCCC(N)=O Amb33623115 [1,1,0,0,0,0|1,0,0]=3 331 B11R0.176 CCOC(=O)CCCOC(C)=O Amb17613918 [1,1,0,0,0,0|1,0,0]=3 332 B11R0.176 CCOC(=O)NCCCC(=O)O Amb6249852 [1,1,0,0,0,0|1,0,0]=3 333 B11R0.4 CCCCCCCC(=O)OCC Amb6608755 [1,1,0,0,0,0|1,0,1]=4 334 B11R0.4 CCOC(=O)CCCCCNC Amb32666565 [1,1,0,0,0,0|1,0,1]=4 335 B11R0.4 CCOC(=O)CCCCCNC Amb32666566 [1,1,0,0,0,0|1,0,1]=4 336 B11R0.4 CCOC(=O)CCNCCOC Amb9024155 [1,1,0,0,0,0|1,0,1]=4 337 B11R0.40 CCCCCCCCC(=O)OC Amb8517582 [1,1,0,0,0,0|1,0,1]=4 338 B11R0.40 CNC(=O)CCNCCCOC Amb18808415 [1,1,0,0,0,0|1,0,1]=4 339 B11R0.40 CNCCOCCCC(=O)OC Amb18624289 [1,1,0,0,0,0|1,0,1]=4 340 B11R0.40 COC(=O)CCCCCCCBr Amb24063235 [1,1,0,0,0,0|1,0,1]=4 341 B11R0.40 COC(=O)CCCCCCCN Amb20669115 [1,1,0,0,0,0|1,0,1]=4 342 B11R0.40 COC(=O)CCCCCCCN Amb24331924 [1,1,0,0,0,0|1,0,1]=4 343 B11R0.70 CCCCC(N)CCC(=O)OC Amb33372313 [1,1,0,0,0,0|1,0,1]=4 344 B11R0.70 CCSCC(N)CCC(=O)OC Amb33323718 [1,1,0,0,0,0|2,0,0]=4 345 B11R0.70 CC\C=C\C(N)CCC(=O)OC Amb33267560 [1,1,0,0,0,0|1,0,1]=4 346 B11R0.70 COC(=O)CCC(N)CCSC Amb33198266 [1,1,0,0,0,0|0,1,1]=4 347 B11R0.70 COCCC(N)CCC(=O)OC Amb33377472 [1,1,0,0,0,0|0,0,1]=3 348 B11R0.70 COCCN(C)CCC(=O)OC Amb8428197 [1,1,0,0,0,0|1,0,1]=4 349 B11R0.142 CCCCCCC(N)C(=O)OC Amb18794902 [1,1,0,0,0,0|1,0,1]=4 350 B11R0.142 CCCCCC[C@H](N)C(=O)OC Amb34157713 [1,1,0,0,0,0|1,0,1]=4 351 B11R0.142 CCOCCCC(N)C(=O)OC Amb33308774 [1,1,0,0,0,0|2,0,0]=4 352 B11R0.142 CCSCCCC(N)C(=O)OC Amb33065453 [1,1,0,0,0,0|2,0,0]=4 353 B11R0.142 COCCCCC(N)C(=O)OC Amb33309184 [1,1,0,0,0,0|0,0,1]=3 354 B11R0.142 COCCCNC(C)C(=O)OC Amb18795637 [1,1,0,0,0,0|1,0,1]=4 355 B11R0.142 COCCNCC(C)C(=O)OC Amb9253074 [1,1,0,0,0,0|1,0,1]=4 356 B11R0.142 COCCOCC(N)C(=O)OC Amb18790826 [1,1,0,0,0,0|1,0,1]=4 357 B11R0.154 CCCCCC(N)CC(=O)OC Amb33254856 [1,1,0,0,0,0|1,0,1]=4 358 B11R0.154 CCCCCC(O)CC(=O)OC Amb21928835 [1,1,0,0,0,0|1,0,1]=4 359 B11R0.154 CCCCC[C@@H](O)CC(=O)OC Amb31308366 [1,1,0,0,0,0|1,0,1]=4 360 B11R0.154 CCCCC[C@H](O)CC(=O)OC Amb33872469 [1,1,0,0,0,0|1,0,1]=4 361 B11R0.154 CCSCCC(N)CC(=O)OC Amb33254198 [1,1,0,0,0,0|2,0,0]=4 362 B11R0.154 COC(=O)CC(N)CCCSC Amb33255461 [1,1,0,0,0,0|0,1,1]=4 363 B11R0.154 COCCNC(C)CC(=O)OC Amb9398394 [1,1,0,0,0,0|1,0,1]=4 364 B11R0.110 COC(=O)CC(=O)CC(=O)OC Amb2725477 [0,1,0,0,1,0|0,0,1]=3 365 B11R0.110 COC(=O)CC(C)CC(=O)OC Amb8629083 [0,1,0,0,1,0|0,0,0]=2 366 B11R0.110 COC(=O)CC(C)CC(O)OC Amb31307770 [0,1,0,0,1,0|0,0,2]=4 367 B11R0.110 COC(=O)CC(N)CC(=O)OC Amb22001699 [0,1,0,0,1,0|0,0,0]=2 368 B11R0.110 COC(=O)CC(N)CC(=O)OC Amb22436847 [0,1,0,0,1,0|0,0,0]=2 369 B11R0.110 COC(=O)CC(N)CC(=O)OC Amb22749880 [0,1,0,0,1,0|0,0,0]=2 370 B11R0.110 COC(=O)CC(O)CC(=O)OC Amb10604229 [0,1,0,0,1,0|0,0,0]=2 371 B11R0.110 COC(=O)CN(C)CC(=O)OC Amb18808625 [0,1,0,0,1,0|1,0,0]=3 372 B11R0.120 COC(=O)CCC(=O)C(=O)OC Amb9871397 [0,1,0,0,1,0|0,0,1]=3 373 B11R0.120 COC(=O)CCC(Br)C(=O)OC Amb22500129 [0,1,0,0,1,0|0,0,0]=2 374 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb32666097 [0,1,0,0,1,0|0,0,0]=2 375 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6366233 [0,1,0,0,1,0|0,0,0]=2 376 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6458826 [0,1,0,0,1,0|0,0,0]=2 377 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb16183941 [0,1,0,0,1,0|0,0,0]=2 378 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb22230568 [0,1,0,0,1,0|0,0,0]=2 379 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC Amb33620357 [0,1,0,0,1,0|0,0,0]=2 380 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb13884889 [0,1,0,0,1,0|0,0,0]=2 381 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb3940075 [0,1,0,0,1,0|0,0,0]=2 382 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb8390403 [0,1,0,0,1,0|0,0,0]=2 383 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC Amb33620358 [0,1,0,0,1,0|0,0,0]=2 384 B11R0.120 COC(=O)CNC(=O)C(=O)OC Amb2447278 [0,1,0,0,1,0|1,0,1]=4 385 B11R0.120 O=C(CCC(O)C(=O)O[Na])O[Na] Amb22371817 [0,1,0,0,1,0|2,0,0]=4 386 B11R0.200 COC(=O)CCCC(OC)OC Amb22338364 [0,1,0,0,1,0|0,0,2]=4 387 B13R0.87 CCOC(=O)CCCCCC(=O)CC Amb6305809 [0,1,0,0,0,1|1,0,0]=3 388 B13R0.250 COC(=O)C(C)NCCCC(C)OC Amb33133296 [0,1,0,0,0,1|1,0,1]=4 389 B13R0.250 COC(=O)CCCCC(C)C(=O)OC Amb19958968 [0,1,0,0,0,1|0,0,0]=2 390 B13R0.250 COC(=O)CCNCC(C)C(=O)OC Amb13952417 [0,1,0,0,0,1|0,0,0]=2 391 B13R0.250 COC(=O)CNCCC(N)C(=O)OC Amb32993448 [0,1,0,0,0,1|0,0,0]=2 392 B13R0.429 COC(=O)CCSC(C)CC(=O)OC Amb9481994 [0,1,0,0,0,1|0,0,0]=2 393 B13R0.961 COC(=O)CCN(C)CCC(=O)OC Amb33529396 [0,1,0,0,0,1|0,0,0]=2 394 B13R0.961 COC(=O)CCN(C)CCC(=O)OC Amb4021495 [0,1,0,0,0,1|0,0,0]=2 395 B13R0.894 COC(=O)CCC(N)CC(C)(C)OC Amb33195580 [0,2,0,0,0,0|1,0,1]=4 396 B13R0.205 COC(=O)C[C@H](C)[C@H](C)CC(=O)OC Amb22746579 [0,2,0,0,0,0|0,0,0]=2 397 B13R0.110 C=C(CCC(C)C(=O)OC)C(=O)OC Amb33473687 [0,2,0,0,0,0|0,0,1]=3 398 B13R0.110 COC(=O)C(Br)CCC(Br)C(=O)OC Amb2721092 [0,2,0,0,0,0|0,0,0]=2 399 B13R0.110 COC(=O)C(C)CCC(C)C(=O)OC Amb4016457 [0,2,0,0,0,0|0,0,0]=2 400 B13R0.857 COC(=O)CCNC(C)(C)C(=O)OC Amb28468063 [0,2,0,0,0,0|1,0,0]=3 401 B13R0.91 CCOC(=O)CCCCC(=O)C(C)C Amb6305862 [0,2,0,0,0,0|1,0,0]=3 402 B13R0.162 COC(=O)CCCCC(=O)C(F)(F)F Amb21864621 [0,2,0,0,0,0|2,0,0]=4 403 B13R0.162 COC(=O)CCCNC(=O)C(C)(C)Br Amb17327012 [0,2,0,0,0,0|2,0,0]=4 404 B13R0.353 CN(C)C(=O)CCCCC(=O)N(C)C Amb21964285 [0,2,0,0,0,0|2,0,0]=4 405 B13R0.113 COC(=O)CCCNC(=O)CCCCl Amb17323105 [0,2,0,0,0,0|2,0,0]=4 406 B13R0.367 CCCC(=O)CCCCC(=O)OCC Amb6305823 [0,2,0,0,0,0|1,0,0]=3 407 B13R0.367 CCOC(=O)CCCCC(=O)OCC Amb6891947 [0,2,0,0,0,0|0,0,0]=2 408 B13R0.367 CCOC(=O)CCNCC(=O)OCC Amb16192072 [0,2,0,0,0,0|1,0,0]=3 409 B13R0.367 CCOC(=O)CCSCC(=O)OCC Amb9263824 [0,2,0,0,0,0|1,0,0]=3 410 B13R0.367 CCOC(=O)NCCNC(=O)OCC Amb17846717 [0,2,0,0,0,0|2,0,0]=4 411 B13R0.367 CCOC(=O)\C=C\CCC(=O)OCC Amb24117844 [0,2,0,0,0,0|0,0,2]=4 412 B11R1.20 CC(=O)NC1CCC(=O)CC1 Amb1162738 [1,0,0,1,0,0|2,0,0]=4 413 B11R1.20 CC(=O)OC1CCC(=O)CC1 Amb8391813 [1,0,0,1,0,0|2,0,0]=4 414 B11R1.20 CC(=O)SC1CCC(=O)CC1 Amb26449704 [1,0,0,1,0,0|2,0,0]=4 415 B11R1.20 CC1CCC(CC(=O)O)CO1 Amb29866063 [1,0,0,1,0,0|1,0,1]=4 416 B11R1.20 NC(=O)CC1CCC(=O)CC1 Amb28048062 [1,0,0,1,0,0|2,0,0]=4 417 B11R1.20 O=C(O)CC1CCC(=O)CC1 Amb10607825 [1,0,0,1,0,0|1,0,0]=3 418 B11R1.20 O=C(O)CC1CCC(=O)NC1 Amb18200019 [1,0,0,1,0,0|1,0,0]=3 419 B11R1.20 O=C(O)CC1CNC(=O)CN1 Amb24655930 [1,0,0,1,0,0|2,0,0]=4 420 B11R1.20 O=C(O)CN1CCC(=O)CC1 Amb21955570 [1,0,0,1,0,0|2,0,0]=4 421 B11R1.20 O=C(O)CN1CCC(=O)CC1 Amb2721845 [1,0,0,1,0,0|2,0,0]=4 422 B11R1.20 O=C(O)C[C@H]1CNC(=O)CN1 Amb27473255 [1,0,0,1,0,0|2,0,0]=4 423 B11R1.23 C=C1CCNC(C(=O)OC)C1 Amb27750430 [1,0,0,1,0,0|2,0,0]=4 424 B11R1.23 CCC(=O)C1CCCC(=O)C1 Amb27226521 [1,0,0,1,0,0|1,0,0]=3 425 B11R1.23 CCC(=O)N1CCCC(=O)C1 Amb27267527 [1,0,0,1,0,0|2,0,0]=4 426 B11R1.23 CNC(=O)C1CCCC(=O)C1 Amb25351444 [1,0,0,1,0,0|1,0,0]=3 427 B11R1.23 CNC(=O)C1CCCC(=O)N1 Amb27981911 [1,0,0,1,0,0|2,0,0]=4 428 B11R1.23 COC(=O)C1=CC(=O)CCC1 Amb22284374 [1,0,0,1,0,0|0,0,2]=4 429 B11R1.23 COC(=O)C1C=C(C)CNC1 Amb18644736 [1,0,0,1,0,0|2,0,0]=4 430 B11R1.23 COC(=O)C1C=CCC(=O)C1 Amb25700306 [1,0,0,1,0,0|0,0,2]=4 431 B11R1.23 COC(=O)C1CC(=O)CCN1 Amb13889092 [1,0,0,1,0,0|1,0,0]=3 432 B11R1.23 COC(=O)C1CC(=O)CCO1 Amb25309255 [1,0,0,1,0,0|1,0,0]=3 433 B11R1.23 COC(=O)C1CC=CC(=O)C1 Amb24633337 [1,0,0,1,0,0|0,0,2]=4 434 B11R1.23 COC(=O)C1CCCC(=O)C1 Amb33543758 [1,0,0,1,0,0|0,0,0]=2 435 B11R1.23 COC(=O)C1CCCC(=O)N1 Amb13886339 [1,0,0,1,0,0|1,0,0]=3 436 B11R1.23 COC(=O)C1CCCC(C)C1 Amb27607963 [1,0,0,1,0,0|1,0,1]=4 437 B11R1.23 COC(=O)C1CCCC(C)N1 Amb18644928 [1,0,0,1,0,0|1,0,1]=4 438 B11R1.23 COC(=O)C1CCCC(Cl)C1 Amb24390370 [1,0,0,1,0,0|1,0,1]=4 439 B11R1.23 COC(=O)C1CCCC(N)=N1 Amb27803936 [1,0,0,1,0,0|2,0,0]=4 440 B11R1.23 COC(=O)C1CCCC(N)C1 Amb18288448 [1,0,0,1,0,0|1,0,1]=4 441 B11R1.23 COC(=O)C1CCCC(N)C1 Amb20668217 [1,0,0,1,0,0|1,0,1]=4 442 B11R1.23 COC(=O)C1CCCC(O)C1 Amb19516181 [1,0,0,1,0,0|0,0,2]=4 443 B11R1.23 COC(=O)C1CCCC(S)C1 Amb32788133 [1,0,0,1,0,0|0,1,1]=4 444 B11R1.23 COC(=O)C1CCCN(C)C1 Amb15691747 [1,0,0,1,0,0|2,0,0]=4 445 B11R1.23 COC(=O)C1CCN=C(N)C1 Amb27402999 [1,0,0,1,0,0|2,0,0]=4 446 B11R1.23 COC(=O)C1CCN=C(N)C1 Amb28652911 [1,0,0,1,0,0|2,0,0]=4 447 B11R1.23 COC(=O)C1CCNC(=O)C1 Amb21922898 [1,0,0,1,0,0|1,0,0]=3 448 B11R1.23 COC(=O)C1CCNC(=O)N1 Amb27596662 [1,0,0,1,0,0|2,0,0]=4 449 B11R1.23 COC(=O)C1CCNC(=S)C1 Amb28195132 [1,0,0,1,0,0|1,1,0]=4 450 B11R1.23 COC(=O)C1CCOC(=O)N1 Amb25044321 [1,0,0,1,0,0|2,0,0]=4 451 B11R1.23 COC(=O)C1CNCC(=O)N1 Amb18126111 [1,0,0,1,0,0|2,0,0]=4 452 B11R1.23 COC(=O)C1CNNC(=O)C1 Amb2437236 [1,0,0,1,0,0|2,0,0]=4 453 B11R1.23 COC(=O)C1COCC(=O)C1 Amb25086714 [1,0,0,1,0,0|1,0,0]=3 454 B11R1.23 COC(=O)C1COCC(=O)N1 Amb24118077 [1,0,0,1,0,0|2,0,0]=4 455 B11R1.23 COC(=O)C1CS(=O)CCN1 Amb26035292 [1,0,0,1,0,0|2,0,0]=4 456 B11R1.23 COC(=O)N1CCCC(=O)C1 Amb22490336 [1,0,0,1,0,0|1,0,0]=3 457 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 Amb13889085 [1,0,0,1,0,0|1,0,0]=3 458 B11R1.23 COC(=O)[C@@H]1CC(=O)CCO1 Amb25794184 [1,0,0,1,0,0|1,0,0]=3 459 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 Amb24486283 [1,0,0,1,0,0|0,0,0]=2 460 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 Amb25375349 [1,0,0,1,0,0|1,0,0]=3 461 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](Cl)C1 Amb28244806 [1,0,0,1,0,0|1,0,1]=4 462 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 Amb10873181 [1,0,0,1,0,0|1,0,1]=4 463 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 Amb24563866 [1,0,0,1,0,0|1,0,1]=4 464 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](O)C1 Amb22899456 [1,0,0,1,0,0|0,0,2]=4 465 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 Amb22747531 [1,0,0,1,0,0|1,0,1]=4 466 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 Amb23438867 [1,0,0,1,0,0|1,0,1]=4 467 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 Amb27844007 [1,0,0,1,0,0|0,0,2]=4 468 B11R1.23 COC(=O)[C@@H]1CCOC(=O)N1 Amb25785572 [1,0,0,1,0,0|2,0,0]=4 469 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 Amb25759494 [1,0,0,1,0,0|2,0,0]=4 470 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 Amb25084961 [1,0,0,1,0,0|0,0,0]=2 471 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 Amb27862528 [1,0,0,1,0,0|1,0,0]=3 472 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C)N1 Amb33456356 [1,0,0,1,0,0|1,0,1]=4 473 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C)N1 Amb33482785 [1,0,0,1,0,0|1,0,1]=4 474 B11R1.23 COC(=O)[C@H]1CCC[C@@H](N)C1 Amb26618546 [1,0,0,1,0,0|1,0,1]=4 475 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 Amb25198846 [1,0,0,1,0,0|0,0,2]=4 476 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 Amb33871486 [1,0,0,1,0,0|1,0,1]=4 477 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 Amb25225913 [1,0,0,1,0,0|0,0,2]=4 478 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 Amb26632942 [1,0,0,1,0,0|2,0,0]=4 479 B11R1.23 COC(=O)[C@H]1CSCC(=O)N1 Amb27879944 [1,0,0,1,0,0|2,0,0]=4 480 B11R1.23 C\C=C(\C)C1CCCC(=O)C1 Amb27776996 [1,0,0,1,0,0|2,0,0]=4 481 B11R1.39 C=C1CCN(CC(=O)OC)C1 Amb30028138 [1,0,0,1,0,0|2,0,0]=4 482 B11R1.39 CCC(=O)C[C@@H]1CCC(C)=N1 Amb27199086 [1,0,0,1,0,0|2,0,0]=4 483 B11R1.39 CNC(=O)CC1COC(=O)C1 Amb28064615 [1,0,0,1,0,0|2,0,0]=4 484 B11R1.39 COC(=N)CC1CNC(=O)O1 Amb27768558 [1,0,0,1,0,0|2,0,0]=4 485 B11R1.39 COC(=O)CC1C=CC(=O)C1 Amb28351402 [1,0,0,1,0,0|0,0,2]=4 486 B11R1.39 COC(=O)CC1CCC(=O)C1 Amb21962984 [1,0,0,1,0,0|0,0,0]=2 487 B11R1.39 COC(=O)CC1CCC(Br)C1 Amb33742926 [1,0,0,1,0,0|1,0,1]=4 488 B11R1.39 COC(=O)CC1CCC(C)C1 Amb25120585 [1,0,0,1,0,0|1,0,1]=4 489 B11R1.39 COC(=O)CC1CCC(C)N1 Amb27489689 [1,0,0,1,0,0|1,0,1]=4 490 B11R1.39 COC(=O)CC1CCC(C)N1 Amb33276255 [1,0,0,1,0,0|1,0,1]=4 491 B11R1.39 COC(=O)CC1CCC(N)C1 Amb25891564 [1,0,0,1,0,0|1,0,1]=4 492 B11R1.39 COC(=O)CC1CCC(N)C1 Amb33096653 [1,0,0,1,0,0|1,0,1]=4 493 B11R1.39 COC(=O)CC1CCC(O)C1 Amb26009531 [1,0,0,1,0,0|0,0,2]=4 494 B11R1.39 COC(=O)CC1CCC(O)O1 Amb27652891 [1,0,0,1,0,0|0,0,2]=4 495 B11R1.39 COC(=O)CC1CNC(=O)C1 Amb23453157 [1,0,0,1,0,0|1,0,0]=3 496 B11R1.39 COC(=O)CC1COC(=O)N1 Amb27184103 [1,0,0,1,0,0|2,0,0]=4 497 B11R1.39 COC(=O)C[C@@H]1CCC(=O)C1 Amb25922870 [1,0,0,1,0,0|0,0,0]=2 498 B11R1.39 COC(=O)C[C@@H]1CC[C@@H](O)C1 Amb26957023 [1,0,0,1,0,0|0,0,2]=4 499 B11R1.39 COC(=O)C[C@@H]1CC[C@H](N)C1 Amb24734862 [1,0,0,1,0,0|1,0,1]=4 500 B11R1.39 COC(=O)C[C@@H]1CC[C@H](N)C1 Amb32992400 [1,0,0,1,0,0|1,0,1]=4 501 B11R1.39 COC(=O)C[C@@H]1CC[C@H](O)C1 Amb25054455 [1,0,0,1,0,0|0,0,2]=4 502 B11R1.39 COC(=O)C[C@@H]1CNC(=O)N1 Amb28046451 [1,0,0,1,0,0|2,0,0]=4 503 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 Amb26494429 [1,0,0,1,0,0|0,0,0]=2 504 B11R1.39 COC(=O)C[C@H]1CC[C@@H](Cl)C1 Amb28384485 [1,0,0,1,0,0|1,0,1]=4 505 B11R1.39 COC(=O)NC1CNC(=O)C1 Amb27425284 [1,0,0,1,0,0|2,0,0]=4 506 B11R1.75 CC(=O)CCC1CCC(=O)C1 Amb25984891 [1,0,0,1,0,0|1,0,0]=3 507 B11R1.75 CC(=O)CCC1CCC(=O)N1 Amb27438091 [1,0,0,1,0,0|2,0,0]=4 508 B11R1.75 CC(=O)CCC1CCC(=O)O1 Amb27750716 [1,0,0,1,0,0|2,0,0]=4 509 B11R1.75 CC(=O)CSC1COC(=O)O1 Amb27840334 [1,0,0,1,0,0|2,0,0]=4 510 B11R1.75 CC(=O)OCC1CCC(=O)C1 Amb25821465 [1,0,0,1,0,0|2,0,0]=4 511 B11R1.75 CC(=O)OCC1CNC(=O)C1 Amb28436007 [1,0,0,1,0,0|2,0,0]=4 512 B11R1.75 CC(=O)OCC1COC(=O)N1 Amb27411851 [1,0,0,1,0,0|2,0,0]=4 513 B11R1.75 CC(=O)OC[C@@H]1CCC(=O)C1 Amb27749663 [1,0,0,1,0,0|2,0,0]=4 514 B11R1.75 O=C(O)CCC1=NOC(=O)C1 Amb27209293 [1,0,0,1,0,0|1,0,1]=4 515 B11R1.75 O=C(O)CCC1CCC(=O)N1 Amb551261 [1,0,0,1,0,0|2,0,0]=4 516 B11R1.75 O=C(O)CCC1CCC(=O)O1 Amb18126095 [1,0,0,1,0,0|2,0,0]=4 517 B11R1.75 O=C(O)CCC1CNC(=O)N1 Amb27955291 [1,0,0,1,0,0|2,0,0]=4 518 B11R1.75 O=C(O)CCC1COC(=O)N1 Amb24358987 [1,0,0,1,0,0|1,0,0]=3 519 B11R1.75 O=C(O)CCN1CC(=O)ON1 Amb27865614 [1,0,0,1,0,0|2,0,0]=4 520 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 Amb27622656 [1,0,0,1,0,0|2,0,0]=4 521 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 Amb27627802 [1,0,0,1,0,0|2,0,0]=4 522 B11R1.75 O=C(O)CC[C@H]1COC(=O)C1 Amb28123271 [1,0,0,1,0,0|0,0,0]=2 523 B11R1.75 O=C(O)CNC1CNC(=O)C1 Amb26879759 [1,0,0,1,0,0|2,0,0]=4 524 B11R1.145 O=C1CCCOC(=O)CCC1 Amb28074815 [1,0,0,1,0,0|2,0,0]=4 525 B11R1.147 O=C(O)CCC1CC(=O)N1O Amb27176442 [1,0,0,1,0,0|2,0,0]=4 526 B11R1.147 O=C(O)CC[C@@H]1CC(=O)N1O Amb28385712 [1,0,0,1,0,0|2,0,0]=4 527 B11R1.159 CC(=O)C1CCCC(=O)C1=O Amb25876590 [1,0,0,1,0,0|2,0,0]=4 528 B11R1.159 CC(=O)C1CCCC(C)=C1C Amb28201049 [1,0,0,1,0,0|2,0,0]=4 529 B11R1.159 CC(=O)[C@H]1CCCC(=O)[C@@H]1C Amb28194631 [1,0,0,1,0,0|1,0,0]=3 530 B11R1.159 CC1=C(C(=O)O)CCCC1=O Amb18125678 [1,0,0,1,0,0|1,0,1]=4 531 B11R1.159 CC1C(=O)CCCC1C(N)=O Amb25231274 [1,0,0,1,0,0|2,0,0]=4 532 B11R1.159 CN1C(=O)CCCC1C(=O)O Amb18830654 [1,0,0,1,0,0|1,0,0]=3 533 B11R1.159 CN1C(=O)COCC1C(=O)O Amb27969427 [1,0,0,1,0,0|2,0,0]=4 534 B11R1.159 C[C@@H]1C(=O)CCC[C@H]1C(N)=O Amb28321944 [1,0,0,1,0,0|2,0,0]=4 535 B11R1.224 COC(=O)CCC1CC(=O)C1 Amb27672904 [1,0,0,1,0,0|0,0,0]=2 536 B11R1.224 COC(=O)CCC1CC(Br)C1 Amb33457842 [1,0,0,1,0,0|1,0,1]=4 537 B11R1.224 COC(=O)CCC1CC(N)C1 Amb33278711 [1,0,0,1,0,0|1,0,1]=4 538 B11R1.224 COC(=O)CCC1CC(N)C1 Amb33457332 [1,0,0,1,0,0|1,0,1]=4 539 B11R1.224 COC(=O)CC[C@H]1C[C@@H](N)C1 Amb32828694 [1,0,0,1,0,0|1,0,1]=4 540 B11R1.224 COC(=O)CC[C@H]1C[C@@H](N)C1 Amb33330528 [1,0,0,1,0,0|1,0,1]=4 541 B11R1.227 COC(=O)C1CCCC1(C)C Amb26351288 [1,0,0,1,0,0|1,0,1]=4 542 B11R1.227 COC(=O)C1CCCS1(=O)=O Amb35723019 [1,0,0,1,0,0|1,0,1]=4 543 B11R1.227 COC(=O)[C@@H]1CCC[C@]1(C)N Amb27244024 [1,0,0,1,0,0|1,0,1]=4 544 B11R1.262 COC1CC(CCC(=O)O)C1 Amb33802500 [1,0,0,1,0,0|1,0,1]=4 545 B11R1.266 COC1=CCCC(C(=O)O)C1 Amb28244804 [1,0,0,1,0,0|1,0,1]=4 546 B11R1.266 COC1=NCCC(C(=O)O)C1 Amb32668294 [1,0,0,1,0,0|2,0,0]=4 547 B11R1.266 COC1CCCC(C(=O)O)C1 Amb3939936 [1,0,0,1,0,0|1,0,1]=4 548 B11R1.266 COC1CCCC(C(=O)O)O1 Amb27483979 [1,0,0,1,0,0|0,0,2]=4 549 B11R1.266 COC1CCCC(C(C)=O)C1 Amb28139124 [1,0,0,1,0,0|1,0,1]=4 550 B11R1.266 CO[C@H]1CCC[C@@H](C(=O)O)C1 Amb28411305 [1,0,0,1,0,0|1,0,1]=4 551 B11R1.313 C=C1C(=O)CCC1CC(=O)O Amb25700924 [1,0,0,1,0,0|1,0,1]=4 552 B11R1.313 CC(=O)C[C@@H]1CCC(=O)[C@H]1C Amb26024208 [1,0,0,1,0,0|1,0,0]=3 553 B11R1.313 CC(=O)C[C@H]1CCC(=O)[C@H]1C Amb27212451 [1,0,0,1,0,0|1,0,0]=3 554 B11R1.313 CC1=C(CC(=O)O)CCC1=O Amb27791857 [1,0,0,1,0,0|1,0,1]=4 555 B11R1.313 CC1C(=O)CCC1CC(=O)O Amb18125960 [1,0,0,1,0,0|1,0,0]=3 556 B11R1.313 CN1C(=O)CCC1CC(=O)O Amb6316139 [1,0,0,1,0,0|1,0,0]=3 557 B11R1.313 CN1C(=O)CC[C@@H]1CC(=O)O Amb27658937 [1,0,0,1,0,0|1,0,0]=3 558 B11R1.313 C[C@@H]1C(=O)CC[C@H]1CC(=O)O Amb28385685 [1,0,0,1,0,0|1,0,0]=3 559 B11R1.565 CC(=O)N1CCCC(=O)CC1 Amb13783681 [1,0,0,1,0,0|2,0,0]=4 560 B11R1.565 CC(C)[C@@H]1CCCC(=O)OC1 Amb27781118 [1,0,0,1,0,0|1,0,1]=4 561 B11R1.565 NC(=O)C1CCCC(=O)NC1 Amb27963105 [1,0,0,1,0,0|2,0,0]=4 562 B11R1.565 O=C1CCC(C(=O)O)CCN1 Amb24488196 [1,0,0,1,0,0|2,0,0]=4 563 B11R1.565 O=C1CCC(C(=O)O)CCO1 Amb22001721 [1,0,0,1,0,0|2,0,0]=4 564 B11R1.565 O=C1CCCC(C(=O)O)CC1 Amb23399610 [1,0,0,1,0,0|1,0,0]=3 565 B11R1.565 O=C1CCSC(C(=O)O)CN1 Amb27441231 [1,0,0,1,0,0|2,0,0]=4 566 B11R1.849 CNC(=O)[C@@H]1C[C@@H]1NC(C)=O Amb28127574 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.849 COC(=O)C1CC1CC(=O)O Amb26081648 [1,0,0,1,0,0|0,0,0]=2 568 B11R1.849 COC(=O)C1CC1CC(C)C Amb28080603 [1,0,0,1,0,0|1,0,1]=4 569 B11R1.849 COC(=O)C1CC1NC(C)=O Amb27782147 [1,0,0,1,0,0|1,0,0]=3 570 B11R1.849 COC(=O)[C@@H]1C[C@@H]1CS(=O)Cl Amb32721008 [1,0,0,1,0,0|2,0,0]=4 571 B11R1.849 COC(=O)[C@@H]1C[C@@H]1CS(N)=O Amb32721009 [1,0,0,1,0,0|2,0,0]=4 572 B11R1.849 COC(=O)[C@@H]1C[C@@H]1OC(C)=O Amb25383234 [1,0,0,1,0,0|1,0,0]=3 573 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O Amb26660739 [1,0,0,1,0,0|0,0,0]=2 574 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(C)C Amb28080604 [1,0,0,1,0,0|1,0,1]=4 575 B11R1.870 C=C(C)C1CCC1C(=O)OC Amb25366544 [1,0,0,1,0,0|1,0,0]=3 576 B11R1.870 CNC(=O)C1CCC1C(=O)O Amb27447635 [1,0,0,1,0,0|1,0,0]=3 577 B11R1.870 COC(=O)C1C=C[C@@H]1C(=O)O Amb27273537 [1,0,0,1,0,0|0,0,2]=4 578 B11R1.870 COC(=O)C1CCC1C(=O)O Amb25844392 [1,0,0,1,0,0|0,0,0]=2 579 B11R1.870 COC(=O)C1CCN1C(=O)Cl Amb25351297 [1,0,0,1,0,0|2,0,0]=4 580 B11R1.870 COC(=O)N1CCC1C(=O)O Amb25690182 [1,0,0,1,0,0|1,0,0]=3 581 B11R1.870 COC(=O)N1CCC1C(N)=O Amb33251997 [1,0,0,1,0,0|2,0,0]=4 582 B11R1.870 COC(=O)N1CC[C@H]1C(=O)O Amb26481329 [1,0,0,1,0,0|1,0,0]=3 583 B11R1.870 COC(=O)[C@@H]1C=C[C@@H]1C(=O)O Amb28437093 [1,0,0,1,0,0|0,0,2]=4 584 B11R1.870 COC(=O)[C@@H]1C=C[C@H]1C(=O)O Amb25911999 [1,0,0,1,0,0|0,0,2]=4 585 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb23439085 [1,0,0,1,0,0|0,0,0]=2 586 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1S(=O)Cl Amb32720832 [1,0,0,1,0,0|2,0,0]=4 587 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1S(=O)[O-] Amb32755610 [1,0,0,1,0,0|1,0,1]=4 588 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1S(N)=O Amb32720833 [1,0,0,1,0,0|2,0,0]=4 589 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O Amb26948041 [1,0,0,1,0,0|0,0,0]=2 590 B11R1.870 COC(=O)[C@H]1C=C[C@@H]1C(=O)O Amb27645479 [1,0,0,1,0,0|0,0,2]=4 591 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28247482 [1,0,0,1,0,0|0,0,0]=2 592 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O Amb28138440 [1,0,0,1,0,0|0,0,0]=2 593 B11R1.870 CON(C)C1CCC1C(=O)O Amb35673335 [1,0,0,1,0,0|2,0,0]=4 594 B11R1.892 COC(=O)C[C@@H]1C[C@H]1C(C)=O Amb28080099 [1,0,0,1,0,0|0,0,0]=2 595 B11R1.892 COC(=O)C[C@H]1C[C@H]1C(C)=O Amb28080101 [1,0,0,1,0,0|0,0,0]=2 596 B11R1.1 C\C=C\CC1COC(=O)CN1 Amb27230828 [1,0,0,1,0,0|2,0,0]=4 597 B11R1.25 COC(=O)CCC1CCCC1 Amb9241816 [1,0,0,1,0,0|1,0,1]=4 598 B11R1.25 COC(=O)CCC1CCNC1 Amb22737489 [1,0,0,1,0,0|1,0,1]=4 599 B11R1.25 COC(=O)CCC1CCNC1 Amb23439087 [1,0,0,1,0,0|1,0,1]=4 600 B11R1.25 COC(=O)CCC1CCOC1 Amb27987423 [1,0,0,1,0,0|0,0,1]=3 601 B11R1.25 COC(=O)CCN1CC=CC1 Amb28079593 [1,0,0,1,0,0|2,0,0]=4 602 B11R1.25 COC(=O)COC1CCOC1 Amb27271543 [1,0,0,1,0,0|1,0,1]=4 603 B11R1.40 COC(=O)CC1CCCCC1 Amb9241853 [1,0,0,1,0,0|1,0,1]=4 604 B11R1.40 COC(=O)CC1CCCNC1 Amb18299988 [1,0,0,1,0,0|1,0,1]=4 605 B11R1.40 COC(=O)CC1CCCNC1 Amb8396690 [1,0,0,1,0,0|1,0,1]=4 606 B11R1.40 COC(=O)CC1CCCSC1 Amb33165599 [1,0,0,1,0,0|0,1,1]=4 607 B11R1.40 COC(=O)CC1CCNCC1 Amb1102592 [1,0,0,1,0,0|2,0,0]=4 608 B11R1.40 COC(=O)CC1CCNCC1 Amb8396700 [1,0,0,1,0,0|2,0,0]=4 609 B11R1.40 COC(=O)CC1CCOCC1 Amb21963544 [1,0,0,1,0,0|2,0,0]=4 610 B11R1.40 COC(=O)CC1CCSCC1 Amb22546400 [1,0,0,1,0,0|2,0,0]=4 611 B11R1.40 COC(=O)CC1COCCN1 Amb19516060 [1,0,0,1,0,0|1,0,1]=4 612 B11R1.40 COC(=O)CC1COCCN1 Amb19889407 [1,0,0,1,0,0|1,0,1]=4 613 B11R1.40 COC(=O)CC1COCCO1 Amb33620828 [1,0,0,1,0,0|1,0,1]=4 614 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Amb24487763 [1,0,0,1,0,0|1,0,1]=4 615 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Amb8396691 [1,0,0,1,0,0|1,0,1]=4 616 B11R1.40 COC(=O)C[C@@H]1COCCN1 Amb20242109 [1,0,0,1,0,0|1,0,1]=4 617 B11R1.40 COC(=O)C[C@@H]1COCCN1 Amb22899642 [1,0,0,1,0,0|1,0,1]=4 618 B11R1.40 COC(=O)C[C@H]1CCCNC1 Amb24487698 [1,0,0,1,0,0|1,0,1]=4 619 B11R1.40 COC(=O)C[C@H]1CCCNC1 Amb8396692 [1,0,0,1,0,0|1,0,1]=4 620 B11R1.40 COC(=O)C[C@H]1COCCN1 Amb22226734 [1,0,0,1,0,0|1,0,1]=4 621 B11R1.40 COC(=O)C[C@H]1COCCN1 Amb33869472 [1,0,0,1,0,0|1,0,1]=4 622 B11R1.40 COC(=O)NC1CC=CCC1 Amb27827347 [1,0,0,1,0,0|2,0,0]=4 623 B11R1.40 COC(=O)NC1CCCOC1 Amb27798362 [1,0,0,1,0,0|1,0,1]=4 624 B11R1.59 CCN1CCCC1C(=O)OC Amb5492756 [1,0,0,1,0,0|2,0,0]=4 625 B11R1.59 CNC1=C(C(=O)OC)CCC1 Amb26457593 [1,0,0,1,0,0|1,0,1]=4 626 B11R1.59 COC(=O)C1=C(OC)OCC1 Amb27231195 [1,0,0,1,0,0|1,0,1]=4 627 B11R1.59 COC(=O)C1CCC\C1=N/O Amb27964052 [1,0,0,1,0,0|2,0,0]=4 628 B11R1.59 COC(=O)C1CCON1OC Amb27238082 [1,0,0,1,0,0|2,0,0]=4 629 B11R1.59 COC(=O)C1CNCC1OC Amb27777415 [1,0,0,1,0,0|1,0,1]=4 630 B11R1.59 COC(=O)N1CCCC1OC Amb19890180 [1,0,0,1,0,0|1,0,1]=4 631 B11R1.59 C\C=C1/CCCC1C(=O)OC Amb26552660 [1,0,0,1,0,0|1,0,0]=3 632 B11R1.222 COC(=O)C1CCCCN1C Amb29837946 [1,0,0,1,0,0|1,0,1]=4 633 B11R1.222 COC(=O)C1CCCNC1C Amb22728307 [1,0,0,1,0,0|2,0,0]=4 634 B11R1.222 COC(=O)[C@@H]1CCCCN1C Amb27832197 [1,0,0,1,0,0|1,0,1]=4 635 B11R1.222 COC(=O)[C@@H]1CCCN[C@@H]1C Amb26388831 [1,0,0,1,0,0|2,0,0]=4 636 B11R1.222 COC(=O)[C@H]1CCCN[C@@H]1C Amb27617825 [1,0,0,1,0,0|2,0,0]=4 637 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C Amb22230837 [1,0,0,1,0,0|2,0,0]=4 638 B11R1.228 COC(=O)CC1CCCC1C Amb27768232 [1,0,0,1,0,0|1,0,1]=4 639 B11R1.228 COC(=O)CC1CCCN1C Amb27828246 [1,0,0,1,0,0|1,0,1]=4 640 B11R1.228 COC(=O)CC1CCOC1C Amb27647949 [1,0,0,1,0,0|2,0,0]=4 641 B11R1.381 COC1CCCCC(=O)C1C Amb27212440 [1,0,0,1,0,0|1,0,1]=4 642 B11R1.852 COC(=O)C1CCC=CCC1 Amb33456483 [1,0,0,1,0,0|1,0,1]=4 643 B11R1.852 COC(=O)C1CCCCCC1 Amb18182101 [1,0,0,1,0,0|1,0,1]=4 644 B11R1.852 COC(=O)C1CCCCNC1 Amb21963336 [1,0,0,1,0,0|1,0,1]=4 645 B11R1.852 COC(=O)C1CCCCNC1 Amb22490910 [1,0,0,1,0,0|1,0,1]=4 646 B11R1.852 COC(=O)C1CCCNCC1 Amb22170283 [1,0,0,1,0,0|2,0,0]=4 647 B11R1.852 COC(=O)C1CCCNCC1 Amb22230921 [1,0,0,1,0,0|2,0,0]=4 648 B11R1.852 COC(=O)C1CCCSCC1 Amb30030973 [1,0,0,1,0,0|2,0,0]=4 649 B11R1.852 COC(=O)C1CNCCOC1 Amb27782567 [1,0,0,1,0,0|1,0,1]=4 650 B11R1.852 COC(=O)C1CNCCOC1 Amb32434762 [1,0,0,1,0,0|1,0,1]=4 651 B11R1.852 COC(=O)[C@@H]1COCCCN1 Amb27210558 [1,0,0,1,0,0|1,0,1]=4 652 B11R1.852 COC(=O)[C@H]1COCCCN1 Amb27214865 [1,0,0,1,0,0|1,0,1]=4 653 B11R1.22 C=C1CCC(C(=O)OC)CC1 Amb26026534 [0,0,0,1,1,0|2,0,0]=4 654 B11R1.22 CNC(=O)C1CCC(=O)CC1 Amb26327084 [0,0,0,1,1,0|2,0,0]=4 655 B11R1.22 COC(=O)C1C=CC(=O)CC1 Amb27948565 [0,0,0,1,1,0|1,0,1]=4 656 B11R1.22 COC(=O)C1CC=C(Br)CC1 Amb24749863 [0,0,0,1,1,0|2,0,0]=4 657 B11R1.22 COC(=O)C1CC=C(C)CC1 Amb22493627 [0,0,0,1,1,0|2,0,0]=4 658 B11R1.22 COC(=O)C1CCC(=O)CC1 Amb4477304 [0,0,0,1,1,0|1,0,0]=3 659 B11R1.22 COC(=O)C1CCC(=O)CO1 Amb24569287 [0,0,0,1,1,0|2,0,0]=4 660 B11R1.22 COC(=O)C1CCC(=O)NC1 Amb19957331 [0,0,0,1,1,0|1,0,0]=3 661 B11R1.22 COC(=O)C1CCC(=O)SC1 Amb27445750 [0,0,0,1,1,0|0,1,0]=3 662 B11R1.22 COC(=O)C1CCC(N)=NC1 Amb24062483 [0,0,0,1,1,0|2,0,0]=4 663 B11R1.22 COC(=O)C1CCC(N)=NC1 Amb28652915 [0,0,0,1,1,0|2,0,0]=4 664 B11R1.22 COC(=O)C1CNC(=O)CN1 Amb24419888 [0,0,0,1,1,0|2,0,0]=4 665 B11R1.22 COC(=O)C1CNC(=O)OC1 Amb27199734 [0,0,0,1,1,0|1,0,0]=3 666 B11R1.22 COC(=O)N1CCC(=O)CC1 Amb6668942 [0,0,0,1,1,0|2,0,0]=4 667 B11R1.22 COC(=O)[C@@H]1CC=C(C)CC1 Amb26337856 [0,0,0,1,1,0|2,0,0]=4 668 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 Amb27633633 [0,0,0,1,1,0|1,0,0]=3 669 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 Amb10608895 [0,0,0,1,1,0|2,0,0]=4 670 B11R1.22 COC(=O)[C@H]1CC=C(C)CC1 Amb25684213 [0,0,0,1,1,0|2,0,0]=4 671 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 Amb27965494 [0,0,0,1,1,0|1,0,0]=3 672 B11R1.44 CCC1=NC(C(=O)OC)CC1 Amb23560256 [0,0,0,1,1,0|2,0,0]=4 673 B11R1.44 COC(=O)C1CCC(OC)=N1 Amb5718958 [0,0,0,1,1,0|1,0,0]=3 674 B11R1.44 COC(=O)[C@@H]1CCC(OC)=N1 Amb24408985 [0,0,0,1,1,0|1,0,0]=3 675 B11R1.44 COC(=O)[C@@H]1CCC(SC)=N1 Amb33622746 [0,0,0,1,1,0|1,1,0]=4 676 B11R1.264 COC(=O)CC1CC(OC)C1 Amb28080515 [0,0,0,1,1,0|1,0,1]=4 677 B11R1.851 CNC(=O)[C@@H]1C[C@H]1C(=O)NC Amb28123007 [0,0,0,1,1,0|2,0,0]=4 678 B11R1.851 COC(=O)C1CC1C(=O)CBr Amb27673314 [0,0,0,1,1,0|2,0,0]=4 679 B11R1.851 COC(=O)C1NC1C(=O)OC Amb10610624 [0,0,0,1,1,0|1,0,0]=3 680 B11R1.851 COC(=O)C1OC1C(=O)OC Amb26660195 [0,0,0,1,1,0|1,0,0]=3 681 B11R1.851 COC(=O)[C@@H]1C[C@H]1C(=O)CBr Amb24764513 [0,0,0,1,1,0|2,0,0]=4 682 B11R1.851 COC(=O)[C@@H]1C[C@H]1C(=O)OC Amb8514860 [0,0,0,1,1,0|0,0,0]=2 683 B11R1.851 COC(=O)[C@@H]1N[C@H]1C(=O)OC Amb19374707 [0,0,0,1,1,0|1,0,0]=3 684 B11R1.851 COC(=O)[C@H]1C[C@H]1C(=O)OC Amb8514859 [0,0,0,1,1,0|0,0,0]=2 685 B11R1.851 COC(=O)[C@H]1N[C@@H]1C(=O)OC Amb33858168 [0,0,0,1,1,0|1,0,0]=3 686 B11R1.865 C=C1C(=O)CCC1C(=O)OC Amb28461258 [0,0,0,1,1,0|1,0,1]=4 687 B11R1.865 C=C1C(=O)CC[C@H]1C(=O)OC Amb27164692 [0,0,0,1,1,0|1,0,1]=4 688 B11R1.865 CCC(=O)C1CCC(=O)C1C Amb27861256 [0,0,0,1,1,0|2,0,0]=4 689 B11R1.865 CCC(=O)C1CCC(=O)N1C Amb27165209 [0,0,0,1,1,0|2,0,0]=4 690 B11R1.865 CNC(=O)[C@@H]1CCC(=O)N1C Amb28366803 [0,0,0,1,1,0|2,0,0]=4 691 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C Amb27249501 [0,0,0,1,1,0|2,0,0]=4 692 B11R1.865 COC(=O)C1CCC(=O)C1C Amb25288216 [0,0,0,1,1,0|1,0,0]=3 693 B11R1.865 COC(=O)C1CCC(=O)C1N Amb27623256 [0,0,0,1,1,0|2,0,0]=4 694 B11R1.865 COC(=O)C1CCC(=O)N1C Amb13887226 [0,0,0,1,1,0|1,0,0]=3 695 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C Amb10602465 [0,0,0,1,1,0|1,0,0]=3 696 B11R1.865 COC(=O)[C@H]1CCC(=O)N1C Amb10602464 [0,0,0,1,1,0|1,0,0]=3 697 B13R1.14 CNC(=O)CNC1CCC(=O)NC1 Amb28142624 [0,0,0,1,0,1|2,0,0]=4 698 B13R1.14 COC(=O)CCN1CCC(=O)CC1 Amb33538081 [0,0,0,1,0,1|1,0,0]=3 699 B13R1.40 COC(=O)CN1CCNC(=O)C1C Amb28242243 [0,0,0,1,0,1|2,0,0]=4 700 B13R1.81 COC(=O)CC1CCCC(OC)C1 Amb33483911 [0,0,0,1,0,1|1,0,1]=4 701 B13R1.81 COC(=O)NC1CCCC(OC)C1 Amb28122163 [0,0,0,1,0,1|1,0,1]=4 702 B13R1.553 CNC(=O)C1CCCC1C(=O)OC Amb28078780 [0,0,0,1,0,1|1,0,0]=3 703 B13R1.553 CNC(=O)C1CCCN1C(=O)OC Amb26482703 [0,0,0,1,0,1|1,0,0]=3 704 B13R1.553 COC(=O)C1CCCN1C(=O)CCl Amb9333888 [0,0,0,1,0,1|2,0,0]=4 705 B13R1.553 COC(=O)C1CCCN1C(=O)OC Amb9266316 [0,0,0,1,0,1|0,0,0]=2 706 B13R1.553 COC(=O)C1CNCC1C(=O)OC Amb18129668 [0,0,0,1,0,1|0,0,0]=2 707 B13R1.553 COC(=O)C1CNCC1C(=O)OC Amb33038484 [0,0,0,1,0,1|0,0,0]=2 708 B13R1.553 COC(=O)[C@@H]1CCCN1C(=O)OC Amb5719761 [0,0,0,1,0,1|0,0,0]=2 709 B13R1.553 COC(=O)[C@@H]1CNC[C@@H]1C(=O)OC Amb30621945 [0,0,0,1,0,1|0,0,0]=2 710 B13R1.553 COC(=O)[C@@H]1CNC[C@H]1C(=O)OC Amb32412185 [0,0,0,1,0,1|0,0,0]=2 711 B13R1.1764 COC(=O)N1CCCNC(=O)C1C Amb28349826 [0,0,0,1,0,1|2,0,0]=4 712 B13R1.1869 COC(=O)NC1CCNC(=O)CC1 Amb27246584 [0,0,0,1,0,1|2,0,0]=4 713 B13R1.3803 O=C1CCCCCC(=O)NCCN1 Amb27194399 [0,0,0,1,0,1|2,0,0]=4 714 B13R1.3803 O=C1CCCNC(=O)CCNCC1 Amb32674204 [0,0,0,1,0,1|2,0,0]=4 715 B13R1.5 CNC(=O)CC1CC=C(OC)CC1 Amb27794768 [0,1,0,1,0,0|2,0,0]=4 716 B13R1.5 COC(=O)C[C@H]1CC[C@H](C=O)CC1 Amb34913714 [0,1,0,1,0,0|1,0,1]=4 717 B13R1.2171 COC(=O)C1CCN=C(OC)CC1 Amb32670860 [0,1,0,1,0,0|2,0,0]=4 718 B13R1.2680 COC(=O)CC1CCS(=O)(=O)CC1 Amb22405996 [0,1,0,1,0,0|2,0,0]=4 719 B13R1.314 COC(=O)[C@H]1C[C@@H](O)C[C@@H](OC)O1 Amb27184192 [0,1,0,1,0,0|0,0,2]=4 720 B13R1.1783 COC(=O)C1CNC(=O)CCN1C Amb27200078 [0,1,0,1,0,0|2,0,0]=4 721 B13R1.2334 COC(=O)CC(N)C1CC(OC)C1 Amb33255062 [0,1,0,1,0,0|1,0,1]=4 722 B13R1.2334 COC(=O)C[C@@H](N)C1CC(OC)C1 Amb33255428 [0,1,0,1,0,0|1,0,1]=4 723 B13R1.2334 COC(=O)C[C@H](N)C1CC(OC)C1 Amb33255746 [0,1,0,1,0,0|1,0,1]=4 724 B13R1.2679 COC(=O)CC1CCC(=O)OC1O Amb27617623 [0,1,0,1,0,0|0,0,0]=2 725 B13R1.2679 COC(=O)N[C@H]1CCC(=O)OC1=O Amb27772629 [0,1,0,1,0,0|1,0,1]=4 726 B13R1.2879 COC(=O)C[C@H]1CC=C(C)[C@@H](O)C1 Amb27184222 [0,1,0,1,0,0|2,0,0]=4 727 B13R1.4920 COC(=O)CC1(N)CCC(C)OC1 Amb32787612 [0,1,0,1,0,0|1,0,1]=4 728 B13R1.21 COC(=O)C(C)N1CCC(=O)CC1 Amb19069249 [0,1,0,1,0,0|2,0,0]=4 729 B13R1.21 COC(=O)C(N)C1CCC(C)OC1 Amb29890474 [0,1,0,1,0,0|1,0,1]=4 730 B13R1.21 COC(=O)C(O)C1CCC(C)OC1 Amb29850319 [0,1,0,1,0,0|1,0,1]=4 731 B13R1.21 COC(=O)N(C)C1CCC(=O)CC1 Amb27452897 [0,1,0,1,0,0|2,0,0]=4 732 B13R1.49 COC(=O)[C@@H]1CC[C@@H](O)[C@H](OC)C1 Amb28053662 [0,1,0,1,0,0|1,0,1]=4 733 B13R1.49 COC(=O)[C@H]1CC[C@@H](O)[C@H](OC)C1 Amb28053786 [0,1,0,1,0,0|1,0,1]=4 734 B13R1.49 COC(=O)[C@H]1CC[C@H](O)[C@@H](OC)C1 Amb27220203 [0,1,0,1,0,0|1,0,1]=4 735 B13R1.534 CNC(=O)C1CCC(C(=O)OC)O1 Amb27605105 [0,1,0,1,0,0|1,0,0]=3 736 B13R1.534 COC(=O)C1CCC(C(=O)NO)O1 Amb27833345 [0,1,0,1,0,0|2,0,0]=4 737 B13R1.534 COC(=O)C1CCC(C(=O)OC)C1 Amb19958241 [0,1,0,1,0,0|0,0,0]=2 738 B13R1.534 COC(=O)C1CSC(C(=O)OC)N1 Amb2421543 [0,1,0,1,0,0|1,0,0]=3 739 B13R1.534 COC(=O)[C@H]1CC[C@@H](C(=O)NO)O1 Amb27857442 [0,1,0,1,0,0|2,0,0]=4 740 B13R1.534 COC(=O)[C@H]1CC[C@@H](C(=O)OC)C1 Amb24056324 [0,1,0,1,0,0|0,0,0]=2 741 B13R1.599 COC(=O)CCCN1CCCC1=O Amb8961497 [0,1,0,1,0,0|2,0,0]=4 742 B13R1.636 COC(=O)C(N)CC1CC(OC)C1 Amb32937040 [0,1,0,1,0,0|1,0,1]=4 743 B13R1.636 COC(=O)C(N)C[C@H]1C[C@@H](OC)C1 Amb33035295 [0,1,0,1,0,0|1,0,1]=4 744 B13R1.1683 COC(=O)C(N)C1CC1C(=O)OC Amb32671326 [0,1,0,1,0,0|0,0,0]=2 745 B13R1.1683 COC(=O)C(N)[C@@H]1C[C@H]1C(=O)OC Amb32675144 [0,1,0,1,0,0|0,0,0]=2 746 B13R1.1808 COC(=O)[C@H]1CC[C@@H](O)C(C)=C1C Amb27775533 [0,1,0,1,0,0|2,0,0]=4 747 B13R1.133 CN(C)C(=O)CC1CCC(=O)CC1 Amb27586340 [0,1,0,1,0,0|2,0,0]=4 748 B13R1.12 CCOC(=O)C1CCCC(=O)C1=O Amb26588157 [0,1,0,1,0,0|2,0,0]=4 749 B13R1.12 COCC(=O)C1CCCC(=O)C1=O Amb24533676 [0,1,0,1,0,0|2,0,0]=4 750 B13R1.19 CCNC(=O)CC1CCC(=O)CC1 Amb27187998 [0,1,0,1,0,0|2,0,0]=4 751 B13R1.19 CCOC(=O)CC1CCC(=O)CC1 Amb22002401 [0,1,0,1,0,0|1,0,0]=3 752 B13R1.19 CCOC(=O)CN1CCC(=O)CC1 Amb6265235 [0,1,0,1,0,0|2,0,0]=4 753 B13R1.19 CCOC(=O)NC1CCC(=O)CC1 Amb9517823 [0,1,0,1,0,0|2,0,0]=4 754 B13R1.19 COCC(=O)NC1CCC(=O)NC1 Amb28242038 [0,1,0,1,0,0|2,0,0]=4 755 B13R1.19 CONC(=O)CC1CCC(=O)CC1 Amb28051215 [0,1,0,1,0,0|1,0,0]=3 756 B13R1.19 CONC(=O)NC1CCC(=O)NC1 Amb28051031 [0,1,0,1,0,0|2,0,0]=4 757 B13R1.19 O=C1CCC(NC(=O)OCCl)CN1 Amb35609216 [0,1,0,1,0,0|2,0,0]=4 758 B13R1.107 COC(=O)C1CCCC(N)C1OC Amb25322503 [0,1,0,1,0,0|1,0,1]=4 759 B13R1.1463 CCOC(=O)C1CCCC(=O)NC1 Amb28046283 [0,1,0,1,0,0|1,0,0]=3 760 B13R1.1463 CCOC(=O)C1CCNC(=O)CC1 Amb22641108 [0,1,0,1,0,0|2,0,0]=4 761 B13R1.1463 CCOC(=O)N1CCCC(=O)CC1 Amb17610492 [0,1,0,1,0,0|2,0,0]=4 762 B13R1.1478 CCNC(=O)CC1CCC(=O)C1C Amb28051385 [0,1,0,1,0,0|2,0,0]=4 763 B13R1.1478 CONC(=O)CC1CCC(=O)C1C Amb27456320 [0,1,0,1,0,0|1,0,0]=3 764 B13R2.342 O=C1CCCN2C(=O)CCCC12 Amb27666821 [0,0,0,2,0,0|2,0,0]=4 765 B13R2.1088 COC(=O)C12CCCC(=O)C1C2 Amb27177557 [0,0,0,2,0,0|1,0,0]=3 766 B13R2.1155 COC(=O)C1CC2CC(=O)C1C2 Amb17605729 [0,0,0,2,0,0|1,0,0]=3 767 B13R2.1155 COC(=O)[C@@H]1C[C@H]2CC(=O)[C@H]1C2 Amb27427735 [0,0,0,2,0,0|1,0,0]=3 768 B13R2.1155 COC(=O)[C@H]1C[C@H]2CC(=O)[C@H]1C2 Amb27854605 [0,0,0,2,0,0|1,0,0]=3 769 B13R2.11 O=C1CCC(C2CCC(=O)C2)C1 Amb27177558 [0,0,0,2,0,0|2,0,0]=4 770 B13R2.11 O=C1CC[C@H]([C@@H]2CCC(=O)C2)C1 Amb27177695 [0,0,0,2,0,0|2,0,0]=4 771 B13R2.11 O=C1NC(C2COC(=O)N2)CO1 Amb28341026 [0,0,0,2,0,0|2,0,0]=4 772 B13R2.11 O=C1N[C@@H]([C@H]2COC(=O)N2)CO1 Amb27961358 [0,0,0,2,0,0|2,0,0]=4 773 B13R2.11 O=C1OCC(C2COC(=O)O2)O1 Amb26507615 [0,0,0,2,0,0|2,0,0]=4 774 B13R2.11 O=C1OCC([C@@H]2COC(=O)O2)O1 Amb24087714 [0,0,0,2,0,0|2,0,0]=4 775 B13R2.1075 COC(=O)C1CC2OC(=O)NC21 Amb27832540 [0,0,0,2,0,0|2,0,0]=4 776 B13R2.5120 O=C1CCC2(CC1)CNC(=O)C2 Amb27476192 [0,0,0,2,0,0|2,0,0]=4 777 B13R2.5120 O=C1CCC2(CN1)COC(=O)C2 Amb4008993 [0,0,0,2,0,0|1,0,0]=3 778 B13R2.3683 O=C1CCC2NC(=O)CCC2C1 Amb27872236 [0,0,0,2,0,0|2,0,0]=4 779 B13R2.3683 O=C1CC[C@@H]2CC(=O)CC[C@H]2C1 Amb27177624 [0,0,0,2,0,0|2,0,0]=4 780 B13R2.3683 O=C1CC[C@@H]2NC(=O)CC[C@H]2C1 Amb28247144 [0,0,0,2,0,0|2,0,0]=4 781 B13R2.3683 O=C1CC[C@H]2NC(=O)CC[C@@H]2C1 Amb27422002 [0,0,0,2,0,0|2,0,0]=4 782 B13R2.3683 O=C1C[C@@H]2CCC(=O)N[C@@H]2CN1 Amb28052711 [0,0,0,2,0,0|2,0,0]=4 783 B13R2.4849 O=C1CCCN2C(=O)CCC2C1 Amb27646071 [0,0,0,2,0,0|2,0,0]=4 784 B13R2.228 O=C1CCC2CCC1CCC2=O Amb27212537 [0,0,0,2,0,0|2,0,0]=4 785 B13R2.1156 COC(=O)C1CC2C(=O)CCC21 Amb27177522 [0,0,0,2,0,0|1,0,0]=3 786 B13R2.1156 COC(=O)C1C[C@@H]2C(=O)CC[C@H]12 Amb28074671 [0,0,0,2,0,0|1,0,0]=3 787 B13R2.1157 COC(=O)C1CC2CC(=O)C2C1 Amb33072447 [0,0,0,2,0,0|1,0,0]=3 788 B13R2.14978 COC(=O)[C@@]12CCC(=O)[C@@H]1CC2 Amb28324386 [0,0,0,2,0,0|1,0,0]=3 789 B13R2.15007 COC(=O)C12CCC(=O)CC1C2 Amb33716137 [0,0,0,2,0,0|1,0,0]=3 790 B13R2.10772 CC1C(=O)CC2C(C)C(=O)CC12 Amb27873204 [0,0,0,2,0,0|2,0,0]=4 791 B13R2.13212 C=C1CCC2CC(=O)OCC12C Amb2867128 [0,0,0,2,0,0|2,0,0]=4 792 B13R2.13212 C=C1CC[C@@H]2CC(=O)OC[C@@]12C Amb23440695 [0,0,0,2,0,0|2,0,0]=4 793 B13R2.13212 C=C1CC[C@H]2CC(=O)OC[C@]12C Amb2537063 [0,0,0,2,0,0|2,0,0]=4 794 B13R2.13212 CC12CCC(=O)C[C@@H]1CCC2=O Amb27177854 [0,0,0,2,0,0|2,0,0]=4 795 B9R0.1 C=C(Br)CCCC(=O)OC Amb24717516 [1,0,0,0,1,0|1,0,1]=4 796 B9R0.1 C=C(C)CCCC(=O)OC Amb25995990 [1,0,0,0,1,0|1,0,0]=3 797 B9R0.1 C=C(C)CCNC(=O)OC Amb27247131 [1,0,0,0,1,0|2,0,0]=4 798 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [1,0,0,0,1,0|1,0,1]=4 799 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [1,0,0,0,1,0|1,0,1]=4 800 B9R0.1 CC(=O)CCCC(=O)NO Amb27980256 [1,0,0,0,1,0|2,0,0]=4 801 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [1,0,0,0,1,0|2,0,0]=4 802 B9R0.1 CCC(=O)NCCC(C)=O Amb17102869 [1,0,0,0,1,0|2,0,0]=4 803 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [1,0,0,0,1,0|2,0,0]=4 804 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [1,0,0,0,1,0|2,0,0]=4 805 B9R0.1 CNC(=O)CCCC(=O)[O-] Amb24271120 [1,0,0,0,1,0|1,0,1]=4 806 B9R0.1 CNC(=O)CNCC(=O)O Amb8943036 [1,0,0,0,1,0|2,0,0]=4 807 B9R0.1 CNC(=O)CNCC(C)=O Amb27789643 [1,0,0,0,1,0|2,0,0]=4 808 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [1,0,0,0,1,0|2,0,0]=4 809 B9R0.1 CNC(=O)CSCC(=O)O Amb6251930 [1,0,0,0,1,0|2,0,0]=4 810 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [1,0,0,0,1,0|2,0,0]=4 811 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [1,0,0,0,1,0|1,0,1]=4 812 B9R0.1 COC(=O)CCCC(=O)Cl Amb3939328 [1,0,0,0,1,0|1,0,0]=3 813 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [1,0,0,0,1,0|0,0,0]=2 814 B9R0.1 COC(=O)CCCC(=O)[O-] Amb33948529 [1,0,0,0,1,0|0,0,1]=3 815 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,0,0,0,1,0|0,0,0]=2 816 B9R0.1 COC(=O)CCCC(C)Br Amb24346809 [1,0,0,0,1,0|1,0,1]=4 817 B9R0.1 COC(=O)CCCC(C)Cl Amb24626627 [1,0,0,0,1,0|1,0,1]=4 818 B9R0.1 COC(=O)CCCC(C)N Amb27759913 [1,0,0,0,1,0|1,0,1]=4 819 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [1,0,0,0,1,0|0,0,2]=4 820 B9R0.1 COC(=O)CCCC(N)=O Amb27882411 [1,0,0,0,1,0|1,0,0]=3 821 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [1,0,0,0,1,0|1,1,0]=4 822 B9R0.1 COC(=O)CCCS(=O)Cl Amb26409514 [1,0,0,0,1,0|2,0,0]=4 823 B9R0.1 COC(=O)CCCS(=O)[O-] Amb25914636 [1,0,0,0,1,0|1,0,1]=4 824 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [1,0,0,0,1,0|1,0,0]=3 825 B9R0.1 COC(=O)CCCS(N)=O Amb32720319 [1,0,0,0,1,0|2,0,0]=4 826 B9R0.1 COC(=O)CCC[C@H](C)O Amb27839593 [1,0,0,0,1,0|0,0,2]=4 827 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [1,0,0,0,1,0|1,0,1]=4 828 B9R0.1 COC(=O)CCNC(C)=O Amb15691935 [1,0,0,0,1,0|1,0,0]=3 829 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [1,0,0,0,1,0|2,0,0]=4 830 B9R0.1 COC(=O)CCOC(C)=O Amb27972208 [1,0,0,0,1,0|1,0,0]=3 831 B9R0.1 COC(=O)CCSC(=O)Cl Amb26446360 [1,0,0,0,1,0|2,0,0]=4 832 B9R0.1 COC(=O)CCSC(N)=O Amb28254662 [1,0,0,0,1,0|2,0,0]=4 833 B9R0.1 COC(=O)CC\N=C(/C)N Amb27826068 [1,0,0,0,1,0|2,0,0]=4 834 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [1,0,0,0,1,0|1,0,0]=3 835 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [1,0,0,0,1,0|1,0,0]=3 836 B9R0.1 COC(=O)COCC(C)=O Amb8392403 [1,0,0,0,1,0|1,0,0]=3 837 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [1,0,0,0,1,0|1,0,0]=3 838 B9R0.1 COC(=O)CSCC(C)=O Amb2444691 [1,0,0,0,1,0|1,0,0]=3 839 B9R0.1 COC(=O)C\C=C\C(C)=O Amb25205440 [1,0,0,0,1,0|0,0,2]=4 840 B9R0.1 COC(=O)C\N=C\C(C)=O Amb28052024 [1,0,0,0,1,0|1,0,1]=4 841 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [1,0,0,0,1,0|1,0,0]=3 842 B9R0.1 COC(=O)OCCC(C)=O Amb28049880 [1,0,0,0,1,0|1,0,0]=3 843 B9R0.1 COC(=S)SCCC(=O)O Amb27983821 [1,0,0,0,1,0|1,1,0]=4 844 B9R0.1 CON(C)CCCC(=O)O Amb28126925 [1,0,0,0,1,0|2,0,0]=4 845 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [1,0,0,0,1,0|2,0,0]=4 846 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [1,0,0,0,1,0|2,0,0]=4 847 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [1,0,0,0,1,0|2,0,0]=4 848 B9R0.24 CCC(=O)CCC(=O)CC Amb8391992 [0,0,0,0,2,0|2,0,0]=4 849 B9R0.24 CNC(=O)CCC(=O)NC Amb4017621 [0,0,0,0,2,0|2,0,0]=4 850 B9R0.24 CNC(=O)CCC(=O)OC Amb17399893 [0,0,0,0,2,0|1,0,0]=3 851 B9R0.24 CNC(=O)SCC(=O)OC Amb27180433 [0,0,0,0,2,0|2,0,0]=4 852 B9R0.24 COC(=O)C#CC(=O)OC Amb6891940 [0,0,0,0,2,0|0,0,2]=4 853 B9R0.24 COC(=O)CCC(=O)CBr Amb33526898 [0,0,0,0,2,0|2,0,0]=4 854 B9R0.24 COC(=O)CCC(=O)CCl Amb26649344 [0,0,0,0,2,0|2,0,0]=4 855 B9R0.24 COC(=O)CCC(=O)CN Amb18202127 [0,0,0,0,2,0|2,0,0]=4 856 B9R0.24 COC(=O)CCC(=O)CN Amb6366854 [0,0,0,0,2,0|2,0,0]=4 857 B9R0.24 COC(=O)CCC(=O)NN Amb28046722 [0,0,0,0,2,0|2,0,0]=4 858 B9R0.24 COC(=O)CCC(=O)NO Amb28454716 [0,0,0,0,2,0|2,0,0]=4 859 B9R0.24 COC(=O)CCC(=O)OC Amb2793094 [0,0,0,0,2,0|0,0,0]=2 860 B9R0.24 COC(=O)CCC(C)OC Amb26355788 [0,0,0,0,2,0|1,0,1]=4 861 B9R0.24 COC(=O)CCN(C)OC Amb27206937 [0,0,0,0,2,0|2,0,0]=4 862 B9R0.24 COC(=O)CCS(=O)OC Amb22728623 [0,0,0,0,2,0|1,0,0]=3 863 B9R0.24 COC(=O)CNC(=O)OC Amb9265412 [0,0,0,0,2,0|1,0,0]=3 864 B9R0.24 COC(=O)CNC(=O)SC Amb24620395 [0,0,0,0,2,0|1,1,0]=4 865 B9R0.24 COC(=O)C\N=C(/C)OC Amb27632931 [0,0,0,0,2,0|2,0,0]=4 866 B9R0.24 COC(=O)\C=C/C(=O)OC Amb8514575 [0,0,0,0,2,0|0,0,2]=4 867 B9R0.24 COC(=O)\C=C\C(=O)OC Amb1789270 [0,0,0,0,2,0|0,0,2]=4 868 B9R0.24 COC(=O)\N=N\C(=O)OC Amb6296109 [0,0,0,0,2,0|2,0,0]=4 869 B9R0.24 NOC(=O)CCC(=O)ON Amb22346144 [0,0,0,0,2,0|2,0,0]=4 870 B13R0.201 COC(=N)CCCCCCC(=N)OC Amb6336567 [0,0,0,0,0,2|2,0,0]=4 871 B13R0.201 COC(=O)C#CCCC#CC(=O)OC Amb22364982 [0,0,0,0,0,2|0,0,2]=4 872 B13R0.201 COC(=O)CCCCCCC(=O)OC Amb2695243 [0,0,0,0,0,2|0,0,0]=2 873 B13R0.201 COC(=O)CCCCCNC(=O)CI Amb32411195 [0,0,0,0,0,2|2,0,0]=4 874 B13R0.201 COC(=O)CCSSCCC(=O)OC Amb15691617 [0,0,0,0,0,2|0,0,0]=2 875 B13R0.201 COC(=O)COCCOCC(=O)OC Amb9786076 [0,0,0,0,0,2|0,0,0]=2