0 B11R0.40 CCCCCCC#CC(=O)OC Amb2725482 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.40 CCCCCCCCC(=O)CC Amb9024774 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.40 CCCCCCCCC(=O)NN Amb6544507 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.40 CCCCCCCCC(=O)OC Amb8517582 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.40 CCCCCCCNC(=O)CBr Amb17323631 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.40 CCCCCCCNC(=O)CCl Amb17329833 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.40 CCCCCCCNC(=O)CN Amb24115161 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.40 CCCCCCCOC(=O)CC Amb9787227 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.40 CCCCCCCOC(=O)CCl Amb9787570 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.40 CCCCCCCOC(=O)CS Amb9786410 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.40 CCCCCC\C=C\C(=O)OC Amb33513079 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.40 CCCNCCCOC(=O)CC Amb18263176 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.40 CCCSSCCCC(=O)OC Amb33040840 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.40 CNCCOCCCC(=O)OC Amb18624289 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.40 COC(=O)CCCCCCCBr Amb24063235 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.40 COC(=O)CCCCCCCN Amb20669115 [0,0,0,0,0,0|1,0,2]=3 16 B11R0.40 COC(=O)CCCCCCCN Amb24331924 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.40 COC(=O)CCCOCCCN Amb18111569 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.40 COC(=O)CCCSCCCN Amb17500720 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.40 COC(=O)CCCSCCCO Amb17502861 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.40 COC(=O)NCCCCCCO Amb24095886 [0,0,0,0,0,0|2,0,1]=3 21 B10R0.4 C=C(C)CCCCCCCC Amb6298941 [1,0,0,0,0,0|1,0,2]=4 22 B10R0.4 C=C(C)CNCCCCCC Amb17308745 [1,0,0,0,0,0|2,0,1]=4 23 B10R0.4 C=C(C)\C=C\CCCCCC Amb22546604 [1,0,0,0,0,0|1,0,2]=4 24 B10R0.4 CC#CCOCC#CC(C)=O Amb27458574 [1,0,0,0,0,0|1,0,2]=4 25 B10R0.4 CC(=O)NCCCCCCN Amb5786933 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.4 CC(=O)NCCCCCCO Amb24113372 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.4 CC(=O)OCCCCCCBr Amb24063174 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.4 CC(=O)SCCCCCCN Amb31031026 [1,0,0,0,0,0|2,0,1]=4 29 B10R0.4 CC(=O)SCCCCCCN Amb33276211 [1,0,0,0,0,0|2,0,1]=4 30 B10R0.4 CCCCC#CC#CC(=O)O Amb27401973 [1,0,0,0,0,0|0,0,2]=3 31 B10R0.4 CCCCCC#CCC(=O)Cl Amb27672073 [1,0,0,0,0,0|1,0,2]=4 32 B10R0.4 CCCCCCC#CC(=O)O Amb2780028 [1,0,0,0,0,0|0,0,0]=1 33 B10R0.4 CCCCCCC#CC(C)=O Amb27672631 [1,0,0,0,0,0|0,0,0]=1 34 B10R0.4 CCCCCCC#CC(F)F Amb27272305 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.4 CCCCCCC#C[C@@H](C)Br Amb27818537 [1,0,0,0,0,0|1,0,1]=3 36 B10R0.4 CCCCCCC#C[C@H](C)O Amb27989910 [1,0,0,0,0,0|0,0,2]=3 37 B10R0.4 CCCCCCCCC(=O)Cl Amb3941485 [1,0,0,0,0,0|1,0,2]=4 38 B10R0.4 CCCCCCCCC(=O)O Amb3940373 [1,0,0,0,0,0|0,0,2]=3 39 B10R0.4 CCCCCCCCC(=O)[O-] Amb22729912 [1,0,0,0,0,0|0,0,3]=4 40 B10R0.4 CCCCCCCCC(C)=O Amb8513861 [1,0,0,0,0,0|0,0,2]=3 41 B10R0.4 CCCCCCCCC(N)=O Amb8999041 [1,0,0,0,0,0|1,0,2]=4 42 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [1,0,0,0,0,0|2,0,1]=4 43 B10R0.4 CCCCCCCOC(C)=O Amb6366320 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.4 CCCCCCCOC(N)=O Amb32668733 [1,0,0,0,0,0|2,0,1]=4 45 B10R0.4 CCCCCCNCC(=O)O Amb8827565 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.4 CCCCCCOCC(=O)O Amb7790032 [1,0,0,0,0,0|1,0,1]=3 47 B10R0.4 CCCCCC\C=C\C(=O)O Amb3940553 [1,0,0,0,0,0|0,0,2]=3 48 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [1,0,0,0,0,0|0,0,2]=3 49 B10R0.4 CCCCCNCCC(=O)O Amb7755694 [1,0,0,0,0,0|1,0,2]=4 50 B10R0.4 CCCCC\C=C\NC(C)=O Amb28080162 [1,0,0,0,0,0|1,0,2]=4 51 B10R0.4 CCCCSCCCC(=O)O Amb9280591 [1,0,0,0,0,0|1,0,2]=4 52 B10R0.4 CCCC\C=C\C#CC(=O)O Amb27433905 [1,0,0,0,0,0|0,0,2]=3 53 B10R0.4 CCCNCCCOC(C)=O Amb18924647 [1,0,0,0,0,0|2,0,1]=4 54 B10R0.4 CCOCCCCCC(=O)O Amb22234334 [1,0,0,0,0,0|1,0,2]=4 55 B10R0.4 CSCCCCCCC(=O)O Amb28652939 [1,0,0,0,0,0|1,0,2]=4 56 B10R0.4 NCCCCCCCC(=O)O Amb19929586 [1,0,0,0,0,0|1,0,2]=4 57 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [1,0,0,0,0,0|1,0,2]=4 58 B10R0.4 NCCCCCCNC(=O)O Amb22494605 [1,0,0,0,0,0|2,0,1]=4 59 B10R0.4 O=C(O)CCCCCCCBr Amb3940372 [1,0,0,0,0,0|1,0,2]=4 60 B10R0.4 O=C(O)CCCCCCCO Amb2688777 [1,0,0,0,0,0|1,0,2]=4 61 B10R0.71 CCCCCCNCCOC Amb7760715 [1,0,0,0,0,0|1,0,2]=4 62 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [1,0,0,0,0,0|1,0,2]=4 63 B10R0.71 OCCCCCC#C\C=C/Cl Amb27990026 [1,0,0,0,0,0|3,0,0]=4 64 B10R0.74 CCC(=O)NCCCCCN Amb18102728 [1,0,0,0,0,0|3,0,0]=4 65 B10R0.74 CCCCC#CCC(=O)OC Amb27673306 [1,0,0,0,0,0|0,0,2]=3 66 B10R0.74 CCCCCC#CC(=O)CF Amb25383110 [1,0,0,0,0,0|2,0,0]=3 67 B10R0.74 CCCCCC#CC(=O)NN Amb24391165 [1,0,0,0,0,0|2,0,0]=3 68 B10R0.74 CCCCCC#CC(=O)OC Amb2721698 [1,0,0,0,0,0|0,0,0]=1 69 B10R0.74 CCCCCCCC(=O)CC Amb6366429 [1,0,0,0,0,0|1,0,1]=3 70 B10R0.74 CCCCCCCC(=O)NN Amb6564834 [1,0,0,0,0,0|2,0,1]=4 71 B10R0.74 CCCCCCCC(=O)NO Amb7764666 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.74 CCCCCCCC(=O)OC Amb8516706 [1,0,0,0,0,0|0,0,1]=2 73 B10R0.74 CCCCCCNC(=O)CBr Amb17331633 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.74 CCCCCCNC(=O)CCl Amb6753822 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.74 CCCCCCNC(=O)CN Amb9279196 [1,0,0,0,0,0|3,0,0]=4 76 B10R0.74 CCCCCCOC(=O)C=O Amb17614962 [1,0,0,0,0,0|3,0,0]=4 77 B10R0.74 CCCCCCOC(=O)CCl Amb9787731 [1,0,0,0,0,0|3,0,0]=4 78 B10R0.74 CCCCCCOC(=O)CN Amb2688622 [1,0,0,0,0,0|3,0,0]=4 79 B10R0.74 CCCCCCOC(=O)CS Amb2778632 [1,0,0,0,0,0|3,0,0]=4 80 B10R0.74 CCCCCC\C=C(\I)CC Amb22641682 [1,0,0,0,0,0|2,0,1]=4 81 B10R0.74 CCCCC\C=C\C(=O)OC Amb24066773 [1,0,0,0,0,0|0,0,2]=3 82 B10R0.74 CCOCCC#CC(=O)OC Amb33168826 [1,0,0,0,0,0|1,0,0]=2 83 B10R0.74 CCOCCOCC(=O)OC Amb9206358 [1,0,0,0,0,0|2,0,1]=4 84 B10R0.74 CCSSCCCC(=O)OC Amb33040837 [1,0,0,0,0,0|2,0,1]=4 85 B10R0.74 COC(=O)C#CCCCCBr Amb27672184 [1,0,0,0,0,0|1,0,0]=2 86 B10R0.74 COC(=O)C#CCCCCCl Amb27990063 [1,0,0,0,0,0|1,0,0]=2 87 B10R0.74 COC(=O)CCCCCCBr Amb10604007 [1,0,0,0,0,0|1,0,1]=3 88 B10R0.74 COC(=O)CCCCCCI Amb32410699 [1,0,0,0,0,0|1,0,1]=3 89 B10R0.74 COC(=O)CCCCCCN Amb35747961 [1,0,0,0,0,0|1,0,1]=3 90 B10R0.74 COC(=O)CCCCCCN Amb7762677 [1,0,0,0,0,0|1,0,1]=3 91 B10R0.74 COC(=O)CCCCCCN Amb7969645 [1,0,0,0,0,0|1,0,1]=3 92 B10R0.74 COC(=O)CCCCCCO Amb13887312 [1,0,0,0,0,0|1,0,1]=3 93 B10R0.74 COC(=O)CCCOCCN Amb18109319 [1,0,0,0,0,0|2,0,1]=4 94 B10R0.74 COC(=O)CCCSCCN Amb8961281 [1,0,0,0,0,0|2,0,1]=4 95 B10R0.74 COC(=O)CCCSCCO Amb9362988 [1,0,0,0,0,0|2,0,1]=4 96 B10R0.74 COC(=O)CCNCCCO Amb9243307 [1,0,0,0,0,0|2,0,1]=4 97 B10R0.74 COC(=O)CCSCCCN Amb9482011 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.74 COCCCNCC(=O)OC Amb9204008 [1,0,0,0,0,0|2,0,1]=4 99 B10R0.74 COCCNCCC(=O)OC Amb33545712 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.74 C\C=C(\C)C#CCCCCCl Amb27634734 [1,0,0,0,0,0|3,0,0]=4 101 B12R0.1 CCCCCCCCC(=O)OCC Amb8515442 [0,1,0,0,0,0|0,0,2]=3 102 B12R0.1 CCCCCCCCC(=O)OCCl Amb32414071 [0,1,0,0,0,0|0,0,2]=3 103 B12R0.1 CCCCCCCNC(=O)CCCl Amb3365413 [0,1,0,0,0,0|2,0,1]=4 104 B12R0.1 CCCCCCCNC(=O)CNC Amb20141923 [0,1,0,0,0,0|2,0,1]=4 105 B12R0.1 CCCCCNCCC(=O)OCC Amb9024160 [0,1,0,0,0,0|1,0,2]=4 106 B12R0.1 CCCNCCCOC(=O)COC Amb18928632 [0,1,0,0,0,0|2,0,1]=4 107 B12R0.1 CCOC(=O)CCCCCCCBr Amb10604167 [0,1,0,0,0,0|1,0,2]=4 108 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [0,1,0,0,0,0|1,0,2]=4 109 B12R0.1 CCOC(=O)CCCCCCCI Amb32410617 [0,1,0,0,0,0|1,0,2]=4 110 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [0,1,0,0,0,0|1,0,2]=4 111 B12R0.1 CCOC(=O)CCCCCCCN Amb33309141 [0,1,0,0,0,0|1,0,2]=4 112 B12R0.1 CCOC(=O)CCCCCCCO Amb32662870 [0,1,0,0,0,0|1,0,2]=4 113 B12R0.49 CCCCCCCC(N)C(=O)OC Amb19059295 [0,1,0,0,0,0|0,0,2]=3 114 B12R0.49 CCCCCNCC(C)C(=O)OC Amb9253076 [0,1,0,0,0,0|1,0,2]=4 115 B12R0.49 CCCCNCCC(N)C(=O)OC Amb32993438 [0,1,0,0,0,0|1,0,2]=4 116 B12R0.49 CCCCOCCC(N)C(=O)OC Amb19040683 [0,1,0,0,0,0|1,0,2]=4 117 B12R0.49 COC(=O)C(N)CCCCCCO Amb33066043 [0,1,0,0,0,0|1,0,2]=4 118 B12R0.57 CCCCCCC#CC(OC)OC Amb19888151 [0,1,0,0,0,0|0,0,2]=3 119 B12R0.113 CCCCCCC(N)CC(=O)OC Amb33254138 [0,1,0,0,0,0|0,0,2]=3 120 B12R0.113 CCCCCCC(O)CC(=O)OC Amb21928832 [0,1,0,0,0,0|0,0,2]=3 121 B12R0.113 CCCCCC[C@@H](O)CC(=O)OC Amb31308360 [0,1,0,0,0,0|0,0,2]=3 122 B12R0.113 CCCCCC\C(C)=C\C(=O)OC Amb33472151 [0,1,0,0,0,0|0,0,2]=3 123 B12R0.113 CCCCCNC(C)CC(=O)OC Amb9398427 [0,1,0,0,0,0|1,0,2]=4 124 B12R0.183 COC(=O)CNCCCC(C)OC Amb33133295 [0,1,0,0,0,0|2,0,1]=4 125 B12R0.184 COC(=O)CCCCCCC(C)C Amb21928858 [0,1,0,0,0,0|0,0,2]=3 126 B12R0.248 C=CCCCCCCCC(=O)OC Amb533244 [0,1,0,0,0,0|0,0,3]=4 127 B12R0.248 CCCCCCCCCC(=O)OC Amb4378003 [0,1,0,0,0,0|0,0,2]=3 128 B12R0.248 CCCCC\C=C/CCC(=O)OC Amb24093816 [0,1,0,0,0,0|0,0,3]=4 129 B12R0.248 CCNCCOCCCC(=O)OC Amb18107249 [0,1,0,0,0,0|1,0,2]=4 130 B12R0.248 COC(=O)CCCCCCCC=O Amb8391799 [0,1,0,0,0,0|0,0,3]=4 131 B12R0.248 COC(=O)CCCCCCCCBr Amb34913614 [0,1,0,0,0,0|0,0,2]=3 132 B12R0.248 COC(=O)CCCCCCCCO Amb17616943 [0,1,0,0,0,0|0,0,2]=3 133 B12R0.248 COC(=O)CCCSCCCCN Amb17500973 [0,1,0,0,0,0|1,0,2]=4 134 B12R0.248 COCCCCCNCC(=O)OC Amb33133279 [0,1,0,0,0,0|1,0,1]=3 135 B12R0.248 COCCOCCC#CC(=O)OC Amb33168840 [0,1,0,0,0,0|1,0,0]=2 136 B12R0.251 CCCCCCCNC(=O)C(C)Cl Amb17326983 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.1 CCCCCC1CCC(=O)CC1 Amb6357562 [0,0,0,1,0,0|1,0,2]=4 138 B12R1.7 CCCCCCC1CCC(=O)O1 Amb569753 [0,0,0,1,0,0|2,0,1]=4 139 B12R1.25 CCCCC1CC=CC(=O)C1C Amb28324346 [0,0,0,1,0,0|1,0,2]=4 140 B12R1.25 CCCCC1CCCC(=O)C1C Amb27177608 [0,0,0,1,0,0|1,0,2]=4 141 B12R1.25 CCCC[C@@H]1CCCC(=O)[C@@H]1C Amb28052225 [0,0,0,1,0,0|1,0,2]=4 142 B12R1.27 CCC(=O)NCC1CCCCC1 Amb8336376 [0,0,0,1,0,0|2,0,1]=4 143 B12R1.27 CCC(=O)NOC1CCCCC1 Amb28127634 [0,0,0,1,0,0|3,0,0]=4 144 B12R1.27 CCC(=O)\C=C/C1CCCCC1 Amb27486163 [0,0,0,1,0,0|1,0,2]=4 145 B12R1.27 CCC(=O)\C=C\C1CCCCC1 Amb27262952 [0,0,0,1,0,0|1,0,2]=4 146 B12R1.27 CNC(=O)CCC1CCCCC1 Amb3447278 [0,0,0,1,0,0|1,0,2]=4 147 B12R1.27 CNC(=O)OCC1CCCCC1 Amb26457506 [0,0,0,1,0,0|2,0,1]=4 148 B12R1.27 COC(=O)C#CC1CCCCC1 Amb26433181 [0,0,0,1,0,0|0,0,0]=1 149 B12R1.27 COC(=O)C#CC1CCCCN1 Amb25241760 [0,0,0,1,0,0|1,0,0]=2 150 B12R1.27 COC(=O)C#CC1CCCCO1 Amb25993894 [0,0,0,1,0,0|1,0,0]=2 151 B12R1.27 COC(=O)C#CC1CCCCS1 Amb33168884 [0,0,0,1,0,0|1,0,0]=2 152 B12R1.27 COC(=O)C#CC1CCCNC1 Amb27448776 [0,0,0,1,0,0|1,0,0]=2 153 B12R1.27 COC(=O)C#CC1CCCOC1 Amb25993903 [0,0,0,1,0,0|1,0,0]=2 154 B12R1.27 COC(=O)C#CC1CCCSC1 Amb33168878 [0,0,0,1,0,0|1,0,0]=2 155 B12R1.27 COC(=O)C#CC1CCNCC1 Amb24464710 [0,0,0,1,0,0|1,0,0]=2 156 B12R1.27 COC(=O)C#CC1CCOCC1 Amb25151109 [0,0,0,1,0,0|1,0,0]=2 157 B12R1.27 COC(=O)C#CC1CCSCC1 Amb33168864 [0,0,0,1,0,0|1,0,0]=2 158 B12R1.27 COC(=O)C#CC1CNCCN1 Amb33168814 [0,0,0,1,0,0|2,0,0]=3 159 B12R1.27 COC(=O)C#CC1CNCCO1 Amb33168841 [0,0,0,1,0,0|2,0,0]=3 160 B12R1.27 COC(=O)C#CC1COCCN1 Amb33168862 [0,0,0,1,0,0|2,0,0]=3 161 B12R1.27 COC(=O)C#CC1CSCCS1 Amb33168801 [0,0,0,1,0,0|2,0,0]=3 162 B12R1.27 COC(=O)C=C=C1CCCCC1 Amb32423565 [0,0,0,1,0,0|0,0,3]=4 163 B12R1.27 COC(=O)CCC1CCCCN1 Amb10607784 [0,0,0,1,0,0|1,0,2]=4 164 B12R1.27 COC(=O)CCC1CCCCN1 Amb13949148 [0,0,0,1,0,0|1,0,2]=4 165 B12R1.27 COC(=O)CCC1CCCCO1 Amb32661627 [0,0,0,1,0,0|1,0,2]=4 166 B12R1.27 COC(=O)CCC1CCCNC1 Amb1102606 [0,0,0,1,0,0|1,0,2]=4 167 B12R1.27 COC(=O)CCC1CCCNC1 Amb13949147 [0,0,0,1,0,0|1,0,2]=4 168 B12R1.27 COC(=O)CCC1CCNCC1 Amb13889031 [0,0,0,1,0,0|1,0,2]=4 169 B12R1.27 COC(=O)CCC1CCNCC1 Amb13889037 [0,0,0,1,0,0|1,0,2]=4 170 B12R1.27 COC(=O)CCN1CCCCC1 Amb1016529 [0,0,0,1,0,0|1,0,2]=4 171 B12R1.27 COC(=O)CCN1CCCCC1 Amb8470077 [0,0,0,1,0,0|1,0,2]=4 172 B12R1.27 COC(=O)CNC1CCCCC1 Amb32666984 [0,0,0,1,0,0|1,0,1]=3 173 B12R1.27 COC(=O)CNC1CCCCC1 Amb6687137 [0,0,0,1,0,0|1,0,1]=3 174 B12R1.27 COC(=O)CNC1CCOCC1 Amb33546750 [0,0,0,1,0,0|2,0,1]=4 175 B12R1.27 COC(=O)CNC1CCOCC1 Amb9472310 [0,0,0,1,0,0|2,0,1]=4 176 B12R1.27 COC(=O)COC1CCCCC1 Amb9206351 [0,0,0,1,0,0|1,0,1]=3 177 B12R1.27 COC(=O)COC1CCCCO1 Amb32407002 [0,0,0,1,0,0|2,0,1]=4 178 B12R1.27 COC(=O)COC1CCNCC1 Amb22225110 [0,0,0,1,0,0|2,0,1]=4 179 B12R1.27 COC(=O)COC1CCNCC1 Amb22752847 [0,0,0,1,0,0|2,0,1]=4 180 B12R1.27 COC(=O)CSC1CCCCC1 Amb6760939 [0,0,0,1,0,0|1,0,1]=3 181 B12R1.27 COC(=O)CSC1CCNCC1 Amb19072458 [0,0,0,1,0,0|2,0,1]=4 182 B12R1.27 COC(=O)NCC1CCNCC1 Amb6668894 [0,0,0,1,0,0|2,0,1]=4 183 B12R1.27 COC(=O)NCC1CCOCC1 Amb27840458 [0,0,0,1,0,0|2,0,1]=4 184 B12R1.27 COC(=O)NN=C1CCCCC1 Amb3372631 [0,0,0,1,0,0|2,0,1]=4 185 B12R1.27 COC(=O)\C=C\C1CCCCC1 Amb25148638 [0,0,0,1,0,0|0,0,2]=3 186 B12R1.27 COC(=O)\C=C\C1CCCCO1 Amb35634607 [0,0,0,1,0,0|1,0,2]=4 187 B12R1.27 COC(=O)\C=C\C1CCCOC1 Amb25760294 [0,0,0,1,0,0|1,0,2]=4 188 B12R1.27 COC(=O)\C=C\C1CCOCC1 Amb27178306 [0,0,0,1,0,0|1,0,2]=4 189 B12R1.27 COC(=O)\C=C\N1CCCCC1 Amb26952207 [0,0,0,1,0,0|1,0,2]=4 190 B12R1.77 CCC1CCCCN1C(=O)OC Amb3373232 [0,0,0,1,0,0|1,0,1]=3 191 B12R1.77 CCC1OCCCC1C(=O)OC Amb27651384 [0,0,0,1,0,0|1,0,2]=4 192 B12R1.77 CCN1CCCC=C1C(=O)OC Amb23585375 [0,0,0,1,0,0|1,0,2]=4 193 B12R1.77 CN[C@@H]1CCCC[C@@H]1C(=O)OC Amb27983966 [0,0,0,1,0,0|1,0,2]=4 194 B12R1.77 COC(=O)C1CCCCC1CCl Amb27616883 [0,0,0,1,0,0|1,0,2]=4 195 B12R1.77 COC(=O)C1CCCCC1CN Amb24638995 [0,0,0,1,0,0|1,0,2]=4 196 B12R1.77 COC(=O)C1CCCCC1OC Amb27453897 [0,0,0,1,0,0|1,0,2]=4 197 B12R1.77 COC(=O)N1CCCCC1CO Amb9287059 [0,0,0,1,0,0|2,0,1]=4 198 B12R1.77 COC(=O)N1CCCCC1OC Amb27835373 [0,0,0,1,0,0|2,0,1]=4 199 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1CN Amb32993218 [0,0,0,1,0,0|1,0,2]=4 200 B12R1.77 COC(=O)[C@@H]1CCCC[C@H]1CO Amb24436062 [0,0,0,1,0,0|1,0,2]=4 201 B12R1.77 COC(=O)[C@H]1CCCC[C@@H]1CO Amb6300085 [0,0,0,1,0,0|1,0,2]=4 202 B12R1.82 CCC(=O)NC1CCCC1CC Amb27652567 [0,0,0,1,0,0|2,0,1]=4 203 B12R1.82 CCC1COCC1NC(=O)OC Amb35617116 [0,0,0,1,0,0|2,0,1]=4 204 B12R1.82 CCC1COC\C1=C/C(=O)OC Amb35631907 [0,0,0,1,0,0|1,0,2]=4 205 B12R1.82 COC(=O)N[C@H]1CCC[C@@H]1OC Amb27207630 [0,0,0,1,0,0|2,0,1]=4 206 B12R1.82 COC(=O)\C=C1\CCCC1OC Amb33492936 [0,0,0,1,0,0|1,0,2]=4 207 B12R1.150 C[C@@H]1CCCCCCCNC1=O Amb28047251 [0,0,0,1,0,0|2,0,1]=4 208 B12R1.150 C[C@H]1CCCCCCCNC1=O Amb28059295 [0,0,0,1,0,0|2,0,1]=4 209 B12R1.157 CCOC1CC1C#CC(=O)OC Amb35671229 [0,0,0,1,0,0|1,0,0]=2 210 B12R1.206 O=C1C#CCCCCC(=O)CC1 Amb27954162 [0,0,0,1,0,0|2,0,1]=4 211 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,0,1,0,0|1,0,2]=4 212 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,0,1,0,0|1,0,2]=4 213 B12R1.291 CCCC1CCNC1C(=O)OC Amb33726850 [0,0,0,1,0,0|1,0,1]=3 214 B12R1.291 CCC[C@@H]1CNC[C@H]1C(=O)OC Amb33038596 [0,0,0,1,0,0|1,0,2]=4 215 B12R1.291 COCC1CCOC1C(=O)OC Amb32665014 [0,0,0,1,0,0|2,0,1]=4 216 B12R1.291 COC[C@H]1CCO[C@H]1C(=O)OC Amb32664543 [0,0,0,1,0,0|2,0,1]=4 217 B12R1.348 CCCCC1CCNC(=O)CC1 Amb28129642 [0,0,0,1,0,0|2,0,1]=4 218 B12R1.353 CNC(=O)CNC1CCCC1C Amb27240472 [0,0,0,1,0,0|2,0,1]=4 219 B12R1.353 CNC(=O)NCC1CCCC1C Amb28127040 [0,0,0,1,0,0|2,0,1]=4 220 B12R1.353 COC(=O)C#CC1CCCC1C Amb28044321 [0,0,0,1,0,0|0,0,0]=1 221 B12R1.353 COC(=O)C#CC1CCCN1C Amb33168844 [0,0,0,1,0,0|1,0,0]=2 222 B12R1.353 COC(=O)C#CC1CCNC1C Amb33168904 [0,0,0,1,0,0|1,0,0]=2 223 B12R1.353 COC(=O)C#CC1CCOC1C Amb24751380 [0,0,0,1,0,0|1,0,0]=2 224 B12R1.353 COC(=O)C#CC1NCCC1C Amb33168877 [0,0,0,1,0,0|1,0,0]=2 225 B12R1.353 COC(=O)NCC1CCCC1C Amb27203590 [0,0,0,1,0,0|1,0,1]=3 226 B12R1.353 COC(=O)NCC1CCCC1N Amb28381796 [0,0,0,1,0,0|2,0,1]=4 227 B12R1.353 COC(=O)NCC1CCCC1O Amb27831615 [0,0,0,1,0,0|2,0,1]=4 228 B12R1.365 COC(=O)C1CCCCCC1N Amb2695334 [0,0,0,1,0,0|1,0,2]=4 229 B12R1.365 COC(=O)C1CCCCCC1N Amb8630108 [0,0,0,1,0,0|1,0,2]=4 230 B12R1.365 COC(=O)C1CCCCCN1C Amb27649918 [0,0,0,1,0,0|1,0,2]=4 231 B12R1.365 COC(=O)N1CCCCCC1O Amb28321532 [0,0,0,1,0,0|2,0,1]=4 232 B12R1.365 COC(=O)N1CCCNCC1C Amb27157989 [0,0,0,1,0,0|2,0,1]=4 233 B12R1.365 COC(=O)N1CCNCCC1C Amb24463725 [0,0,0,1,0,0|2,0,1]=4 234 B12R1.365 COC(=O)N1CCSCCC1C Amb27977628 [0,0,0,1,0,0|2,0,1]=4 235 B12R1.365 COC(=O)[C@@H]1CCCCC[C@@H]1N Amb24598964 [0,0,0,1,0,0|1,0,2]=4 236 B12R1.365 COC(=O)[C@@H]1CCCCC[C@@H]1N Amb32645900 [0,0,0,1,0,0|1,0,2]=4 237 B12R1.365 COC(=O)[C@@H]1CCCCC[C@@H]1O Amb28256733 [0,0,0,1,0,0|1,0,2]=4 238 B12R1.365 COC(=O)[C@@H]1CCCCC[C@H]1O Amb27451024 [0,0,0,1,0,0|1,0,2]=4 239 B12R1.365 COC(=O)[C@H]1CCCCC[C@H]1N Amb27224034 [0,0,0,1,0,0|1,0,2]=4 240 B12R1.371 CNC(=O)CN1CCCCC1C Amb28138245 [0,0,0,1,0,0|2,0,1]=4 241 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1C Amb35746984 [0,0,0,1,0,0|2,0,1]=4 242 B12R1.371 COC(=O)CC1CCCCC1Br Amb22497306 [0,0,0,1,0,0|1,0,2]=4 243 B12R1.371 COC(=O)CC1CCCCC1N Amb24419823 [0,0,0,1,0,0|1,0,2]=4 244 B12R1.371 COC(=O)CC1CCCCC1O Amb25317529 [0,0,0,1,0,0|1,0,2]=4 245 B12R1.371 COC(=O)CC1CCCNC1C Amb24331928 [0,0,0,1,0,0|1,0,2]=4 246 B12R1.371 COC(=O)CC1CCNCC1C Amb26511429 [0,0,0,1,0,0|1,0,2]=4 247 B12R1.371 COC(=O)CC1CNCCC1C Amb24331936 [0,0,0,1,0,0|1,0,2]=4 248 B12R1.371 COC(=O)CC1CNCCC1C Amb30869450 [0,0,0,1,0,0|1,0,2]=4 249 B12R1.371 COC(=O)CN1CCNC[C@H]1C Amb27832334 [0,0,0,1,0,0|2,0,1]=4 250 B12R1.371 COC(=O)CN1CCSCC1C Amb27234216 [0,0,0,1,0,0|2,0,1]=4 251 B12R1.371 COC(=O)C[C@@H]1CCCC[C@@H]1N Amb24648079 [0,0,0,1,0,0|1,0,2]=4 252 B12R1.371 COC(=O)C[C@@H]1CCCC[C@@H]1O Amb27197145 [0,0,0,1,0,0|1,0,2]=4 253 B12R1.371 COC(=O)NC1CCNCC1C Amb27460680 [0,0,0,1,0,0|2,0,1]=4 254 B12R1.371 COC(=O)NC1CCOCC1C Amb27758298 [0,0,0,1,0,0|2,0,1]=4 255 B12R1.371 COC(=O)NC1CNCCC1C Amb24661654 [0,0,0,1,0,0|2,0,1]=4 256 B12R1.371 COC(=O)N[C@@H]1CCCC[C@H]1N Amb28323694 [0,0,0,1,0,0|2,0,1]=4 257 B12R1.371 COC(=O)N[C@@H]1CCCC[C@H]1O Amb28370198 [0,0,0,1,0,0|2,0,1]=4 258 B12R1.371 COC(=O)N[C@@H]1CNCC[C@@H]1C Amb17621798 [0,0,0,1,0,0|2,0,1]=4 259 B12R1.371 COC(=O)N[C@H]1CCCC[C@H]1C Amb27261699 [0,0,0,1,0,0|1,0,1]=3 260 B12R1.371 COC(=O)N[C@H]1CNCC[C@H]1C Amb8388559 [0,0,0,1,0,0|2,0,1]=4 261 B12R1.371 COC(=O)OC1CCCCC1Cl Amb27985882 [0,0,0,1,0,0|2,0,1]=4 262 B12R1.371 COC(=O)OC1CCCCC1N Amb27172419 [0,0,0,1,0,0|2,0,1]=4 263 B12R1.371 COC(=O)OC1CCCCC1O Amb27665448 [0,0,0,1,0,0|2,0,1]=4 264 B12R1.371 COC(=O)O[C@H]1CCCC[C@@H]1O Amb28401127 [0,0,0,1,0,0|2,0,1]=4 265 B12R1.371 COC(=O)\C=C1/CCCCC1C Amb32667121 [0,0,0,1,0,0|0,0,2]=3 266 B12R1.371 COC(=O)\C=C1/CCCCC1Cl Amb27407106 [0,0,0,1,0,0|1,0,2]=4 267 B12R1.371 COC(=O)\C=C1/NCCCC1C Amb27668886 [0,0,0,1,0,0|1,0,2]=4 268 B12R1.371 COC(=O)\C=C1\CCCCC1C Amb25808199 [0,0,0,1,0,0|0,0,2]=3 269 B12R1.371 COC(=O)\C=C1\CCOCC1C Amb25355108 [0,0,0,1,0,0|1,0,2]=4 270 B12R1.371 COC(=O)\C=C1\NCCCC1C Amb28077089 [0,0,0,1,0,0|1,0,2]=4 271 B12R1.402 CCC1CC\C1=N/NC(=O)OC Amb27766288 [0,0,0,1,0,0|2,0,1]=4 272 B12R1.402 CCN1CCC1C#CC(=O)OC Amb33168911 [0,0,0,1,0,0|1,0,0]=2 273 B12R1.477 COC(=O)C#CCC1CCOC1 Amb27960019 [0,0,0,1,0,0|1,0,0]=2 274 B12R1.477 COC(=O)CCCN1CCCC1 Amb8455429 [0,0,0,1,0,0|1,0,2]=4 275 B12R1.477 COC(=O)CCNC1CCCC1 Amb8830831 [0,0,0,1,0,0|1,0,2]=4 276 B12R1.477 COC(=O)CCOC1CCCC1 Amb9206352 [0,0,0,1,0,0|1,0,2]=4 277 B12R1.477 COC(=O)CNCC1CCCO1 Amb6713922 [0,0,0,1,0,0|2,0,1]=4 278 B12R1.477 COC(=O)CSCC1CCCN1 Amb19072465 [0,0,0,1,0,0|2,0,1]=4 279 B12R1.477 COC(=O)CSCC1CCCN1 Amb35745668 [0,0,0,1,0,0|2,0,1]=4 280 B12R1.1659 COC(=O)C1CCCCCCC1 Amb24537636 [0,0,0,1,0,0|0,0,2]=3 281 B12R1.1659 COC(=O)C1CCCCCCN1 Amb25246058 [0,0,0,1,0,0|1,0,1]=3 282 B12R1.1659 COC(=O)C1CCCCNCC1 Amb27490896 [0,0,0,1,0,0|1,0,2]=4 283 B12R1.1659 COC(=O)N1CCCCCCC1 Amb2125356 [0,0,0,1,0,0|1,0,1]=3 284 B12R1.1748 CCC(=O)OC1CCCCCC1 Amb25154716 [0,0,0,1,0,0|2,0,1]=4 285 B12R1.1748 COC(=O)C=C1CCCCCC1 Amb9826915 [0,0,0,1,0,0|0,0,2]=3 286 B12R1.1748 COC(=O)CC1CCCCCC1 Amb26860987 [0,0,0,1,0,0|0,0,2]=3 287 B12R1.1748 COC(=O)CC1CCCCCN1 Amb25123355 [0,0,0,1,0,0|1,0,2]=4 288 B12R1.1748 COC(=O)CC1CCCNCC1 Amb24581304 [0,0,0,1,0,0|1,0,2]=4 289 B12R1.1748 COC(=O)CC1CCCOCC1 Amb33068690 [0,0,0,1,0,0|1,0,2]=4 290 B12R1.1748 COC(=O)CN1CCCNCC1 Amb1114640 [0,0,0,1,0,0|2,0,1]=4 291 B12R1.1748 COC(=O)CN1CCCNCC1 Amb6893763 [0,0,0,1,0,0|2,0,1]=4 292 B12R1.1748 COC(=O)NC1CCCSCC1 Amb35692780 [0,0,0,1,0,0|2,0,1]=4 293 B12R1.1748 COC(=O)OC1CCCNCC1 Amb35723383 [0,0,0,1,0,0|2,0,1]=4 294 B12R1.1748 COC(=O)\C=C1\CCCCCN1 Amb23510204 [0,0,0,1,0,0|1,0,2]=4 295 B12R1.1748 COC(=O)\C=C1\CCCNCC1 Amb28129906 [0,0,0,1,0,0|1,0,2]=4 296 B12R1.1748 COC(=O)\C=C1\CCCOCC1 Amb26864215 [0,0,0,1,0,0|1,0,2]=4 297 B12R1.1748 COC(=O)\C=C1\CCCSCC1 Amb35691473 [0,0,0,1,0,0|1,0,2]=4 298 B12R1.1882 CCC1CCCCCC(OC)=N1 Amb33036101 [0,0,0,1,0,0|1,0,2]=4 299 B9R0.2 C=C(C)C#CCCCCC Amb27593421 [2,0,0,0,0,0|1,0,0]=3 300 B9R0.2 C=C(C)CCCCCCC Amb6298940 [2,0,0,0,0,0|1,0,1]=4 301 B9R0.2 C=CCCCC#CC(C)=O Amb27856606 [2,0,0,0,0,0|0,0,2]=4 302 B9R0.2 CC(=O)CCCCCCN Amb25147578 [2,0,0,0,0,0|1,0,1]=4 303 B9R0.2 CC(=O)CCCCCCN Amb32663700 [2,0,0,0,0,0|1,0,1]=4 304 B9R0.2 CC(=O)NCCCCCCl Amb25709577 [2,0,0,0,0,0|2,0,0]=4 305 B9R0.2 CC(=O)NCCCCCN Amb18102716 [2,0,0,0,0,0|2,0,0]=4 306 B9R0.2 CC(=O)OCCCCCBr Amb8516155 [2,0,0,0,0,0|2,0,0]=4 307 B9R0.2 CC(=O)OCCCCCCl Amb2778974 [2,0,0,0,0,0|2,0,0]=4 308 B9R0.2 CCCC#CC#CC(C)=O Amb17593414 [2,0,0,0,0,0|0,0,2]=4 309 B9R0.2 CCCCC#CCC(=O)O Amb26327934 [2,0,0,0,0,0|0,0,2]=4 310 B9R0.2 CCCCCC#CC(=O)Cl Amb27950037 [2,0,0,0,0,0|1,0,0]=3 311 B9R0.2 CCCCCC#CC(=O)O Amb2778506 [2,0,0,0,0,0|0,0,0]=2 312 B9R0.2 CCCCCC#CC(O)O Amb27978450 [2,0,0,0,0,0|0,0,2]=4 313 B9R0.2 CCCCCCCC(=O)Cl Amb3940245 [2,0,0,0,0,0|1,0,1]=4 314 B9R0.2 CCCCCCCC(=O)O Amb3940371 [2,0,0,0,0,0|0,0,1]=3 315 B9R0.2 CCCCCCCC(=O)S Amb10561702 [2,0,0,0,0,0|0,1,1]=4 316 B9R0.2 CCCCCCCC(=O)[O-] Amb33756883 [2,0,0,0,0,0|0,0,2]=4 317 B9R0.2 CCCCCCCC(=O)[O-] Amb8515835 [2,0,0,0,0,0|0,0,2]=4 318 B9R0.2 CCCCCCCC(C)=O Amb6891951 [2,0,0,0,0,0|0,0,1]=3 319 B9R0.2 CCCCCCCC(N)=O Amb8999028 [2,0,0,0,0,0|1,0,1]=4 320 B9R0.2 CCCCCCNC(C)=O Amb3368460 [2,0,0,0,0,0|1,0,0]=3 321 B9R0.2 CCCCCCNC(N)=O Amb23569596 [2,0,0,0,0,0|2,0,0]=4 322 B9R0.2 CCCCCCOC(=O)Cl Amb10070637 [2,0,0,0,0,0|2,0,0]=4 323 B9R0.2 CCCCCCOC(C)=O Amb8513414 [2,0,0,0,0,0|1,0,0]=3 324 B9R0.2 CCCCCCOC(N)=O Amb22495526 [2,0,0,0,0,0|2,0,0]=4 325 B9R0.2 CCCCCCSC(=O)Cl Amb28421765 [2,0,0,0,0,0|2,0,0]=4 326 B9R0.2 CCCCCCSC(C)=O Amb27837874 [2,0,0,0,0,0|1,0,0]=3 327 B9R0.2 CCCCCC\C=C(\C)I Amb28464058 [2,0,0,0,0,0|1,0,1]=4 328 B9R0.2 CCCCCOCC(=O)O Amb8902706 [2,0,0,0,0,0|1,0,1]=4 329 B9R0.2 CCCCCSCC(=O)O Amb6249571 [2,0,0,0,0,0|1,0,1]=4 330 B9R0.2 CCCCNCCC(=O)O Amb7755713 [2,0,0,0,0,0|1,0,1]=4 331 B9R0.2 CCCCNCCC(C)=O Amb26381876 [2,0,0,0,0,0|1,0,1]=4 332 B9R0.2 CCCCSCCC(=O)O Amb1032992 [2,0,0,0,0,0|1,0,1]=4 333 B9R0.2 CCCNCCCC(=O)O Amb1109953 [2,0,0,0,0,0|1,0,1]=4 334 B9R0.2 CCCOCC#CC(N)=O Amb33495811 [2,0,0,0,0,0|2,0,0]=4 335 B9R0.2 CCCOCCCC(=O)O Amb8874517 [2,0,0,0,0,0|1,0,1]=4 336 B9R0.2 CCCOCCOC(C)=O Amb25354004 [2,0,0,0,0,0|2,0,0]=4 337 B9R0.2 CCCSCCCC(=O)O Amb6680215 [2,0,0,0,0,0|1,0,1]=4 338 B9R0.2 CCCSCCCC(C)=O Amb9660304 [2,0,0,0,0,0|1,0,1]=4 339 B9R0.2 CCC\C=C/C#CC(C)=O Amb28411610 [2,0,0,0,0,0|0,0,2]=4 340 B9R0.2 CCC\C=C\C#CC(C)=O Amb17593455 [2,0,0,0,0,0|0,0,2]=4 341 B9R0.2 CCNCCCCC(=O)O Amb24385094 [2,0,0,0,0,0|1,0,1]=4 342 B9R0.2 CCNCCCCC(=O)O Amb32686610 [2,0,0,0,0,0|1,0,1]=4 343 B9R0.2 CCNCCCCC(C)=O Amb27951143 [2,0,0,0,0,0|1,0,1]=4 344 B9R0.2 CCOCCC#CC(=O)O Amb33168968 [2,0,0,0,0,0|1,0,0]=3 345 B9R0.2 CCOCCCCC(=O)O Amb9207786 [2,0,0,0,0,0|1,0,1]=4 346 B9R0.2 CCOCCCCC(C)=O Amb9659807 [2,0,0,0,0,0|1,0,1]=4 347 B9R0.2 CCOCCCNC(C)=O Amb3886591 [2,0,0,0,0,0|2,0,0]=4 348 B9R0.2 CCOCCCOC(C)=O Amb22733319 [2,0,0,0,0,0|2,0,0]=4 349 B9R0.2 CCSCCCCC(=O)O Amb7782874 [2,0,0,0,0,0|1,0,1]=4 350 B9R0.2 CCSCCCOC(C)=O Amb27605064 [2,0,0,0,0,0|2,0,0]=4 351 B9R0.2 CNCCCCCC(C)=O Amb25728176 [2,0,0,0,0,0|1,0,1]=4 352 B9R0.2 COCCCCCC(=O)O Amb10607872 [2,0,0,0,0,0|1,0,1]=4 353 B9R0.2 COCCCCCC(C)=O Amb27227265 [2,0,0,0,0,0|1,0,1]=4 354 B9R0.2 COCCCCNC(C)=O Amb27170819 [2,0,0,0,0,0|2,0,0]=4 355 B9R0.2 COCCCCOC(C)=O Amb24325176 [2,0,0,0,0,0|2,0,0]=4 356 B9R0.2 CSCCCCCC(=O)O Amb27444761 [2,0,0,0,0,0|1,0,1]=4 357 B9R0.2 CSCCCCNC(C)=O Amb28325257 [2,0,0,0,0,0|2,0,0]=4 358 B9R0.2 CSCCCCOC(C)=O Amb28041805 [2,0,0,0,0,0|2,0,0]=4 359 B9R0.2 C[NH2+]CCCCCC(=O)O Amb9791271 [2,0,0,0,0,0|1,0,1]=4 360 B9R0.2 N#CCCCC#CC(=O)O Amb27191002 [2,0,0,0,0,0|1,0,1]=4 361 B9R0.2 NCCCCCCC(=O)O Amb1151254 [2,0,0,0,0,0|1,0,1]=4 362 B9R0.2 NCCCCCCC(=O)O Amb16232099 [2,0,0,0,0,0|1,0,1]=4 363 B9R0.2 O=C(O)C#CCCCCO Amb28050129 [2,0,0,0,0,0|1,0,0]=3 364 B9R0.2 O=C(O)CCCCCCBr Amb10071514 [2,0,0,0,0,0|1,0,1]=4 365 B9R0.2 O=C(O)CCCCCCCl Amb17594087 [2,0,0,0,0,0|1,0,1]=4 366 B9R0.2 O=C(O)CCCCCCF Amb25132501 [2,0,0,0,0,0|1,0,1]=4 367 B9R0.2 O=C(O)CCCCCCO Amb9787028 [2,0,0,0,0,0|1,0,1]=4 368 B9R0.2 O=C(O)CCCCCCS Amb24710334 [2,0,0,0,0,0|1,0,1]=4 369 B9R0.45 CC#CCCCCCCC Amb2721539 [2,0,0,0,0,0|0,0,2]=4 370 B9R0.45 CCC#CCCCCCC Amb2721540 [2,0,0,0,0,0|0,0,1]=3 371 B9R0.45 CCC#CCCCCCO Amb28050678 [2,0,0,0,0,0|1,0,1]=4 372 B9R0.45 CCC#CCNCCCC Amb28437319 [2,0,0,0,0,0|1,0,1]=4 373 B9R0.45 CCCC#CCCCCC Amb2721550 [2,0,0,0,0,0|1,0,1]=4 374 B9R0.45 CCCCC#CC#CC=O Amb27225781 [2,0,0,0,0,0|0,0,2]=4 375 B9R0.45 CCCCCCC#CCBr Amb26974428 [2,0,0,0,0,0|1,0,1]=4 376 B9R0.45 CCCCCCC#CCN Amb28313948 [2,0,0,0,0,0|1,0,1]=4 377 B9R0.45 CCCCCCC#CCO Amb2721748 [2,0,0,0,0,0|0,0,1]=3 378 B9R0.45 CCCCCCCNC=O Amb27170738 [2,0,0,0,0,0|1,0,1]=4 379 B9R0.45 CCCCCCCOC=O Amb9787223 [2,0,0,0,0,0|1,0,1]=4 380 B9R0.45 CCCCCCOCC=O Amb26624223 [2,0,0,0,0,0|1,0,1]=4 381 B9R0.45 CCCCCC\C=C\C=O Amb24061310 [2,0,0,0,0,0|0,0,2]=4 382 B9R0.45 CCCCCC\C=C\OC Amb30621739 [2,0,0,0,0,0|0,0,1]=3 383 B9R0.45 CCCOCCC#CCO Amb27763825 [2,0,0,0,0,0|1,0,1]=4 384 B9R0.45 CC\C=C\CCCCCC Amb22231672 [2,0,0,0,0,0|1,0,1]=4 385 B9R0.45 COCOCCC#CC=O Amb27838100 [2,0,0,0,0,0|2,0,0]=4 386 B9R0.45 C\C=C/CCCCCCC Amb26019969 [2,0,0,0,0,0|0,0,2]=4 387 B9R0.46 C#CCCCCC(=O)OC Amb18636156 [2,0,0,0,0,0|0,0,2]=4 388 B9R0.46 C=CC(=O)CCCCCC Amb27410225 [2,0,0,0,0,0|1,0,1]=4 389 B9R0.46 C=CCCCCC(=O)OC Amb27617093 [2,0,0,0,0,0|0,0,2]=4 390 B9R0.46 CCC(=O)CCCCCO Amb27627259 [2,0,0,0,0,0|2,0,0]=4 391 B9R0.46 CCCCC#CC(=O)OC Amb2721692 [2,0,0,0,0,0|0,0,0]=2 392 B9R0.46 CCCCCCC(=O)C#N Amb22734561 [2,0,0,0,0,0|2,0,0]=4 393 B9R0.46 CCCCCCC(=O)C=O Amb28422342 [2,0,0,0,0,0|2,0,0]=4 394 B9R0.46 CCCCCCC(=O)CBr Amb24078361 [2,0,0,0,0,0|2,0,0]=4 395 B9R0.46 CCCCCCC(=O)CC Amb2720775 [2,0,0,0,0,0|1,0,0]=3 396 B9R0.46 CCCCCCC(=O)CF Amb27265611 [2,0,0,0,0,0|2,0,0]=4 397 B9R0.46 CCCCCCC(=O)CO Amb28254622 [2,0,0,0,0,0|2,0,0]=4 398 B9R0.46 CCCCCCC(=O)NN Amb2794470 [2,0,0,0,0,0|2,0,0]=4 399 B9R0.46 CCCCCCC(=O)NN Amb31302345 [2,0,0,0,0,0|2,0,0]=4 400 B9R0.46 CCCCCCC(=O)NO Amb25146254 [2,0,0,0,0,0|2,0,0]=4 401 B9R0.46 CCCCCCC(=O)OC Amb9787230 [2,0,0,0,0,0|0,0,0]=2 402 B9R0.46 CCCCCNC(=O)CC Amb17736727 [2,0,0,0,0,0|2,0,0]=4 403 B9R0.46 CCCCCOC(=O)OC Amb26480707 [2,0,0,0,0,0|1,0,0]=3 404 B9R0.46 CCCCCSC(=S)OC Amb27756971 [2,0,0,0,0,0|1,1,0]=4 405 B9R0.46 CCCCSCC(=O)OC Amb9262932 [2,0,0,0,0,0|1,0,0]=3 406 B9R0.46 CCCC\C=C\C(=O)OC Amb25339041 [2,0,0,0,0,0|0,0,2]=4 407 B9R0.46 CCC\C=C\CC(=O)OC Amb27452086 [2,0,0,0,0,0|0,0,2]=4 408 B9R0.46 CCNCC#CC(=O)OC Amb33168825 [2,0,0,0,0,0|1,0,0]=3 409 B9R0.46 CCNCCCC(=O)NC Amb24691212 [2,0,0,0,0,0|2,0,0]=4 410 B9R0.46 CCNCCCC(=O)OC Amb22886193 [2,0,0,0,0,0|1,0,0]=3 411 B9R0.46 CCNCCCC(=O)OC Amb8951853 [2,0,0,0,0,0|1,0,0]=3 412 B9R0.46 CCOCC#CC(=O)OC Amb27838920 [2,0,0,0,0,0|1,0,0]=3 413 B9R0.46 CCOCCCC(=O)CC Amb9316826 [2,0,0,0,0,0|2,0,0]=4 414 B9R0.46 CCOCCCC(=O)OC Amb8961279 [2,0,0,0,0,0|1,0,0]=3 415 B9R0.46 CC\C=C\CCC(=O)OC Amb25350136 [2,0,0,0,0,0|0,0,2]=4 416 B9R0.46 CNC(=O)CCCCCCl Amb27473380 [2,0,0,0,0,0|2,0,0]=4 417 B9R0.46 CNC(=O)CCCCCO Amb27592471 [2,0,0,0,0,0|2,0,0]=4 418 B9R0.46 CNCCCCC(=O)OC Amb25725637 [2,0,0,0,0,0|1,0,0]=3 419 B9R0.46 CNCCCCC(=O)OC Amb32676714 [2,0,0,0,0,0|1,0,0]=3 420 B9R0.46 CNCCOCC(=O)OC Amb27481250 [2,0,0,0,0,0|2,0,0]=4 421 B9R0.46 CNCCSCC(=O)OC Amb18798231 [2,0,0,0,0,0|2,0,0]=4 422 B9R0.46 COC(=O)C#CCCCCl Amb27757420 [2,0,0,0,0,0|1,0,0]=3 423 B9R0.46 COC(=O)C#CCCCN Amb33168790 [2,0,0,0,0,0|1,0,0]=3 424 B9R0.46 COC(=O)C#CCCCO Amb22230916 [2,0,0,0,0,0|1,0,0]=3 425 B9R0.46 COC(=O)CCCCC=O Amb16233585 [2,0,0,0,0,0|1,0,1]=4 426 B9R0.46 COC(=O)CCCCCBr Amb4017062 [2,0,0,0,0,0|1,0,0]=3 427 B9R0.46 COC(=O)CCCCCCl Amb25703167 [2,0,0,0,0,0|1,0,0]=3 428 B9R0.46 COC(=O)CCCCCN Amb1152885 [2,0,0,0,0,0|1,0,0]=3 429 B9R0.46 COC(=O)CCCCCN Amb1935045 [2,0,0,0,0,0|1,0,0]=3 430 B9R0.46 COC(=O)CCCCCO Amb22002577 [2,0,0,0,0,0|1,0,0]=3 431 B9R0.46 COC(=O)CCCCCS Amb25934957 [2,0,0,0,0,0|1,0,0]=3 432 B9R0.46 COC(=O)CCCSSC Amb32992714 [2,0,0,0,0,0|2,0,0]=4 433 B9R0.46 COC(=O)CCNCCO Amb9243303 [2,0,0,0,0,0|2,0,0]=4 434 B9R0.46 COC(=O)CCOCCN Amb26516683 [2,0,0,0,0,0|2,0,0]=4 435 B9R0.46 COC(=O)CCOCCN Amb33330774 [2,0,0,0,0,0|2,0,0]=4 436 B9R0.46 COC(=O)CCOCCO Amb33986072 [2,0,0,0,0,0|2,0,0]=4 437 B9R0.46 COC(=O)CCSCCBr Amb26983185 [2,0,0,0,0,0|2,0,0]=4 438 B9R0.46 COC(=O)CCSCCN Amb20623046 [2,0,0,0,0,0|2,0,0]=4 439 B9R0.46 COC(=O)CCSCCN Amb20668423 [2,0,0,0,0,0|2,0,0]=4 440 B9R0.46 COC(=O)CCSCCN Amb9482009 [2,0,0,0,0,0|2,0,0]=4 441 B9R0.46 COC(=O)CNCCCO Amb9247002 [2,0,0,0,0,0|2,0,0]=4 442 B9R0.46 COC(=O)CNCCSC Amb27244506 [2,0,0,0,0,0|2,0,0]=4 443 B9R0.46 COC(=O)COCCCN Amb27597156 [2,0,0,0,0,0|2,0,0]=4 444 B9R0.46 COC(=O)COCCSC Amb28256796 [2,0,0,0,0,0|2,0,0]=4 445 B9R0.46 COC(=O)CSCCCCl Amb22524768 [2,0,0,0,0,0|2,0,0]=4 446 B9R0.46 COC(=O)NCCCCBr Amb27817636 [2,0,0,0,0,0|2,0,0]=4 447 B9R0.46 COC(=O)NCCCCN Amb27259183 [2,0,0,0,0,0|2,0,0]=4 448 B9R0.46 COC(=O)NCCCCO Amb27251899 [2,0,0,0,0,0|2,0,0]=4 449 B9R0.46 COC(=O)NCCCSC Amb28050553 [2,0,0,0,0,0|2,0,0]=4 450 B9R0.46 COCCNCC(=O)OC Amb6707178 [2,0,0,0,0,0|2,0,0]=4 451 B9R0.46 COCCOCC(=O)OC Amb9206379 [2,0,0,0,0,0|2,0,0]=4 452 B9R0.46 COCCSCC(=O)OC Amb9238654 [2,0,0,0,0,0|2,0,0]=4 453 B9R0.46 CONCCCC(=O)OC Amb27250548 [2,0,0,0,0,0|2,0,0]=4 454 B9R0.46 [C-]#[N+]CCCCC(=O)OC Amb2688987 [2,0,0,0,0,0|1,0,1]=4 455 B11R0.2 CCCCCCC(C)CC(=O)O Amb4001745 [1,1,0,0,0,0|0,0,2]=4 456 B11R0.2 CCCCCCC(N)CC(=O)O Amb2229636 [1,1,0,0,0,0|0,0,2]=4 457 B11R0.2 CCCCCCC(N)CC(=O)O Amb31307615 [1,1,0,0,0,0|0,0,2]=4 458 B11R0.2 CCCCCCC(O)CC(=O)O Amb18803982 [1,1,0,0,0,0|0,0,2]=4 459 B11R0.2 CCCCCCN(C)CC(=O)O Amb33552686 [1,1,0,0,0,0|1,0,1]=4 460 B11R0.42 CCCCCCCC(=O)C(=O)O Amb22904309 [1,1,0,0,0,0|0,0,2]=4 461 B11R0.42 CCCCCCCC(N)C(=O)O Amb2229635 [1,1,0,0,0,0|0,0,2]=4 462 B11R0.42 CCCCCCC[C@@H](N)C(=O)O Amb22747720 [1,1,0,0,0,0|0,0,2]=4 463 B11R0.42 CCCCCCC[C@H](N)C(=O)O Amb33308889 [1,1,0,0,0,0|0,0,2]=4 464 B11R0.42 CCCCCCOC(C)C(=O)O Amb7790036 [1,1,0,0,0,0|1,0,1]=4 465 B11R0.46 CCCCCC(C)CCC(=O)O Amb10807482 [1,1,0,0,0,0|0,0,2]=4 466 B11R0.46 CC\C=C/C[C@H](O)C#CC(=O)O Amb28342230 [1,1,0,0,0,0|0,0,2]=4 467 B11R0.148 CC(=O)C#CC#CCCCCO Amb27615509 [1,1,0,0,0,0|0,0,2]=4 468 B11R0.148 CCCC#CCCC#CC(=O)O Amb28127282 [1,1,0,0,0,0|0,0,1]=3 469 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [1,1,0,0,0,0|0,0,2]=4 470 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [1,1,0,0,0,0|0,0,2]=4 471 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [1,1,0,0,0,0|0,0,2]=4 472 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [1,1,0,0,0,0|0,0,2]=4 473 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [1,1,0,0,0,0|0,0,2]=4 474 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [1,1,0,0,0,0|0,0,2]=4 475 B11R0.148 CCCCCCC\C=C\C(=O)O Amb6336657 [1,1,0,0,0,0|0,0,2]=4 476 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [1,1,0,0,0,0|0,0,2]=4 477 B11R0.148 CCCCOCCOCC(=O)O Amb9204477 [1,1,0,0,0,0|1,0,1]=4 478 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,1,0,0,0,0|0,0,2]=4 479 B11R0.148 COCCOCCC#CC(=O)O Amb33168990 [1,1,0,0,0,0|1,0,0]=3 480 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [1,1,0,0,0,0|0,0,2]=4 481 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [1,1,0,0,0,0|0,0,2]=4 482 B11R0.70 CCCCC(C)C#CC(=O)OC Amb33168813 [1,1,0,0,0,0|0,0,0]=2 483 B11R0.70 CCCCC(N)C#CC(=O)OC Amb33168791 [1,1,0,0,0,0|0,0,0]=2 484 B11R0.70 CCCCC(N)CCC(=O)OC Amb33372313 [1,1,0,0,0,0|0,0,1]=3 485 B11R0.70 CCNCC(C)C#CC(=O)OC Amb33168847 [1,1,0,0,0,0|1,0,0]=3 486 B11R0.70 CCSCC(N)CCC(=O)OC Amb33323718 [1,1,0,0,0,0|1,0,1]=4 487 B11R0.70 COC(=O)CCC(N)CCSC Amb33198266 [1,1,0,0,0,0|1,0,1]=4 488 B11R0.70 COCCC(N)C#CC(=O)OC Amb33168845 [1,1,0,0,0,0|1,0,0]=3 489 B11R0.70 COCCC(N)CCC(=O)OC Amb33377472 [1,1,0,0,0,0|1,0,1]=4 490 B11R0.106 CCC(C)CCCCC(=O)OC Amb22489983 [1,1,0,0,0,0|0,0,1]=3 491 B11R0.106 CCC(C)NCC#CC(=O)OC Amb33168834 [1,1,0,0,0,0|1,0,0]=3 492 B11R0.106 COC(=O)NCCCC(C)CN Amb24095880 [1,1,0,0,0,0|2,0,0]=4 493 B11R0.142 C=C(CCCCCC)C(=O)OC Amb33038210 [1,1,0,0,0,0|0,0,1]=3 494 B11R0.142 CCCCCCC(N)C(=O)OC Amb18794902 [1,1,0,0,0,0|0,0,1]=3 495 B11R0.142 CCCCCC[C@H](N)C(=O)OC Amb34157713 [1,1,0,0,0,0|0,0,1]=3 496 B11R0.142 CCCCNCC(C)C(=O)OC Amb9253097 [1,1,0,0,0,0|1,0,1]=4 497 B11R0.142 CCCNCCC(N)C(=O)OC Amb32993445 [1,1,0,0,0,0|1,0,1]=4 498 B11R0.142 CCCOCCC(N)C(=O)OC Amb18790642 [1,1,0,0,0,0|1,0,1]=4 499 B11R0.142 CCOCCCC(N)C(=O)OC Amb33308774 [1,1,0,0,0,0|1,0,1]=4 500 B11R0.142 CCSCCCC(N)C(=O)OC Amb33065453 [1,1,0,0,0,0|1,0,1]=4 501 B11R0.142 COC(=O)C(N)CCCCCF Amb33308580 [1,1,0,0,0,0|1,0,1]=4 502 B11R0.142 COC(=O)C(N)CCCCCO Amb33065778 [1,1,0,0,0,0|1,0,1]=4 503 B11R0.142 COCCCCC(N)C(=O)OC Amb33309184 [1,1,0,0,0,0|1,0,1]=4 504 B11R0.154 CCCCCC(=O)CC(=O)OC Amb19515873 [1,1,0,0,0,0|0,0,2]=4 505 B11R0.154 CCCCCC(N)CC(=O)OC Amb33254856 [1,1,0,0,0,0|0,0,1]=3 506 B11R0.154 CCCCCC(O)CC(=O)OC Amb21928835 [1,1,0,0,0,0|0,0,1]=3 507 B11R0.154 CCCCC[C@@H](O)CC(=O)OC Amb31308366 [1,1,0,0,0,0|0,0,1]=3 508 B11R0.154 CCCCC[C@H](O)CC(=O)OC Amb33872469 [1,1,0,0,0,0|0,0,1]=3 509 B11R0.154 CCCCC\C(C)=C\C(=O)OC Amb33472157 [1,1,0,0,0,0|0,0,2]=4 510 B11R0.154 CCCCNC(C)CC(=O)OC Amb9398495 [1,1,0,0,0,0|1,0,1]=4 511 B11R0.154 CCSCCC(N)CC(=O)OC Amb33254198 [1,1,0,0,0,0|1,0,1]=4 512 B11R0.154 COC(=O)CC(N)CCCSC Amb33255461 [1,1,0,0,0,0|1,0,1]=4 513 B11R0.174 CCNC(C)CC#CC(=O)OC Amb33168849 [1,1,0,0,0,0|1,0,0]=3 514 B13R0.2 CCCCCCCCCC(=O)OCCl Amb31282507 [0,2,0,0,0,0|0,0,2]=4 515 B13R0.2 CCCCCCCCCC(=O)OCI Amb32410583 [0,2,0,0,0,0|0,0,2]=4 516 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [0,2,0,0,0,0|0,0,2]=4 517 B13R0.2 CCOC(=O)C#CCCOCCOC Amb33168696 [0,2,0,0,0,0|1,0,0]=3 518 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [0,2,0,0,0,0|0,0,2]=4 519 B13R0.275 CCCCCCCC(Br)C(=O)OCC Amb24066457 [0,2,0,0,0,0|0,0,2]=4 520 B13R0.330 CCCCCC\C(C)=C\C(=O)OCC Amb33493100 [0,2,0,0,0,0|0,0,2]=4 521 B13R0.340 CCCCCCNCC(C)C(=O)OC Amb20673379 [0,2,0,0,0,0|0,0,2]=4 522 B13R0.340 COCCCCCNC(C)C(=O)OC Amb33133280 [0,2,0,0,0,0|1,0,1]=4 523 B13R0.274 CCCCCCCC(=O)CC(=O)OC Amb17617713 [0,2,0,0,0,0|0,0,2]=4 524 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC Amb17615271 [0,2,0,0,0,0|0,0,2]=4 525 B13R0.274 CCCCCCC\C(C)=C\C(=O)OC Amb33472149 [0,2,0,0,0,0|0,0,2]=4 526 B13R0.274 CCCCCCNC(C)CC(=O)OC Amb20673380 [0,2,0,0,0,0|0,0,2]=4 527 B13R0.147 C=CCCCCCCCCC(=O)OC Amb612439 [0,2,0,0,0,0|0,0,2]=4 528 B13R0.147 CC#CCCCCCCCC(=O)OC Amb22641576 [0,2,0,0,0,0|0,0,2]=4 529 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,2,0,0,0,0|0,0,2]=4 530 B13R0.147 COC(=O)CCCCCCCCC=O Amb9787740 [0,2,0,0,0,0|0,0,2]=4 531 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,2,0,0,0,0|0,0,2]=4 532 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,2,0,0,0,0|0,0,2]=4 533 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,2,0,0,0,0|0,0,2]=4 534 B13R0.147 C\C=C\CCCCCCCC(=O)OC Amb22641574 [0,2,0,0,0,0|0,0,2]=4 535 B11R1.27 CCCCCC1C=CC(=O)O1 Amb24766300 [1,0,0,1,0,0|0,0,2]=4 536 B11R1.27 CCCCCC1CCC(=O)O1 Amb569744 [1,0,0,1,0,0|0,0,2]=4 537 B11R1.27 CCCCCC1CNC(=O)O1 Amb27987874 [1,0,0,1,0,0|1,0,1]=4 538 B11R1.27 CCCCC[C@@H]1CCC(=O)C1 Amb27673726 [1,0,0,1,0,0|0,0,2]=4 539 B11R1.27 CCCCC[C@H]1CCC(=O)C1 Amb28080151 [1,0,0,1,0,0|0,0,2]=4 540 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [1,0,0,1,0,0|0,0,2]=4 541 B11R1.53 CCC1CCCCC1C(=O)O Amb27606678 [1,0,0,1,0,0|0,0,2]=4 542 B11R1.53 CCC1CCCNC1C(=O)O Amb26014486 [1,0,0,1,0,0|1,0,1]=4 543 B11R1.53 CC[C@@H]1CCCC[C@H]1C(C)=O Amb25232533 [1,0,0,1,0,0|0,0,2]=4 544 B11R1.53 CC[C@@H]1CCCN[C@@H]1C(=O)O Amb28200831 [1,0,0,1,0,0|1,0,1]=4 545 B11R1.53 CC[C@H]1CCCN[C@@H]1C(=O)O Amb27620290 [1,0,0,1,0,0|1,0,1]=4 546 B11R1.86 CC(=O)CN1CCCCC1C Amb8427993 [1,0,0,1,0,0|1,0,1]=4 547 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1C Amb28435840 [1,0,0,1,0,0|1,0,1]=4 548 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1C Amb26958236 [1,0,0,1,0,0|1,0,1]=4 549 B11R1.86 CC1CCCCC1CC(=O)O Amb6749252 [1,0,0,1,0,0|0,0,2]=4 550 B11R1.86 CC1CCCCN1CC(=O)O Amb6356107 [1,0,0,1,0,0|1,0,1]=4 551 B11R1.90 CC(=O)NCC1CCCC1C Amb27617362 [1,0,0,1,0,0|1,0,1]=4 552 B11R1.90 CC(=O)NC[C@@H]1CCC[C@@H]1C Amb27216289 [1,0,0,1,0,0|1,0,1]=4 553 B11R1.90 CC1CCNC1C#CC(=O)O Amb33169032 [1,0,0,1,0,0|1,0,0]=3 554 B11R1.90 CC1NCCC1C#CC(=O)O Amb33169066 [1,0,0,1,0,0|1,0,0]=3 555 B11R1.90 CC1OCCC1C#CC(=O)O Amb28182482 [1,0,0,1,0,0|1,0,0]=3 556 B11R1.90 CN1CCCC1C#CC(=O)O Amb33168996 [1,0,0,1,0,0|1,0,0]=3 557 B11R1.90 C[C@H]1CCC[C@@H]1CCC(=O)O Amb28455731 [1,0,0,1,0,0|0,0,2]=4 558 B11R1.91 CC(=O)C#CC1CCCCC1 Amb17593738 [1,0,0,1,0,0|0,0,0]=2 559 B11R1.91 CC(=O)C#CN1CCOCC1 Amb25909595 [1,0,0,1,0,0|2,0,0]=4 560 B11R1.91 CC(=O)CCC1CCCCC1 Amb9031564 [1,0,0,1,0,0|0,0,2]=4 561 B11R1.91 CC(=O)OCC1CCCCC1 Amb24323616 [1,0,0,1,0,0|1,0,1]=4 562 B11R1.91 CC(=O)\C=C/C1CCCCC1 Amb28141273 [1,0,0,1,0,0|0,0,2]=4 563 B11R1.91 CC(=O)\C=C\C1CCCCC1 Amb24625780 [1,0,0,1,0,0|0,0,2]=4 564 B11R1.91 CC(=O)\C=N\C1CCCCC1 Amb28052310 [1,0,0,1,0,0|1,0,1]=4 565 B11R1.91 CC(Br)C#CC1CCCCC1 Amb27176534 [1,0,0,1,0,0|1,0,1]=4 566 B11R1.91 CN(C)C#CC1CCCCC1 Amb26032829 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.91 C[C@@H](O)C#CC1CCCCC1 Amb27588974 [1,0,0,1,0,0|0,0,2]=4 568 B11R1.91 O=C(O)C#CC1=CCCCC1 Amb28458581 [1,0,0,1,0,0|0,0,2]=4 569 B11R1.91 O=C(O)C#CC1CC=CCC1 Amb27983766 [1,0,0,1,0,0|0,0,2]=4 570 B11R1.91 O=C(O)C#CC1CCCCC1 Amb21963916 [1,0,0,1,0,0|0,0,0]=2 571 B11R1.91 O=C(O)C#CC1CCCCN1 Amb33168942 [1,0,0,1,0,0|1,0,0]=3 572 B11R1.91 O=C(O)C#CC1CCCCO1 Amb25266171 [1,0,0,1,0,0|1,0,0]=3 573 B11R1.91 O=C(O)C#CC1CCCCS1 Amb33169039 [1,0,0,1,0,0|1,0,0]=3 574 B11R1.91 O=C(O)C#CC1CCCNC1 Amb28722508 [1,0,0,1,0,0|1,0,0]=3 575 B11R1.91 O=C(O)C#CC1CCCNC1 Amb32664897 [1,0,0,1,0,0|1,0,0]=3 576 B11R1.91 O=C(O)C#CC1CCCOC1 Amb25151250 [1,0,0,1,0,0|1,0,0]=3 577 B11R1.91 O=C(O)C#CC1CCCSC1 Amb33169033 [1,0,0,1,0,0|1,0,0]=3 578 B11R1.91 O=C(O)C#CC1CCNCC1 Amb27855658 [1,0,0,1,0,0|1,0,0]=3 579 B11R1.91 O=C(O)C#CC1CCNCC1 Amb28721181 [1,0,0,1,0,0|1,0,0]=3 580 B11R1.91 O=C(O)C#CC1CCOCC1 Amb33546193 [1,0,0,1,0,0|1,0,0]=3 581 B11R1.91 O=C(O)C#CC1CCSCC1 Amb33169017 [1,0,0,1,0,0|1,0,0]=3 582 B11R1.91 O=C(O)C#CC1CNCCN1 Amb33168960 [1,0,0,1,0,0|2,0,0]=4 583 B11R1.91 O=C(O)C#CC1CNCCO1 Amb33168992 [1,0,0,1,0,0|2,0,0]=4 584 B11R1.91 O=C(O)C#CC1COCCN1 Amb33169015 [1,0,0,1,0,0|2,0,0]=4 585 B11R1.91 O=C(O)C#CC1CSCCS1 Amb33168948 [1,0,0,1,0,0|2,0,0]=4 586 B11R1.91 O=C(O)CCC1CCCCC1 Amb3939828 [1,0,0,1,0,0|0,0,2]=4 587 B11R1.91 O=C(O)CNC1CCCCC1 Amb19263851 [1,0,0,1,0,0|1,0,1]=4 588 B11R1.91 O=C(O)CNC1CCCCC1 Amb840542 [1,0,0,1,0,0|1,0,1]=4 589 B11R1.91 O=C(O)COC1CCCCC1 Amb2693120 [1,0,0,1,0,0|1,0,1]=4 590 B11R1.91 O=C(O)CSC1CCCCC1 Amb6537757 [1,0,0,1,0,0|1,0,1]=4 591 B11R1.91 O=C(O)\C=C\C1CCCCC1 Amb31330735 [1,0,0,1,0,0|0,0,2]=4 592 B11R1.91 OB(O)C#CC1CCCCC1 Amb24487061 [1,0,0,1,0,0|1,0,1]=4 593 B11R1.101 BrC1C#CCCCCCCC1 Amb27848975 [1,0,0,1,0,0|1,0,1]=4 594 B11R1.101 O=C1C=CCCCCCCC1 Amb28254479 [1,0,0,1,0,0|0,0,2]=4 595 B11R1.101 O=C1CCCCCCCCC1 Amb2778532 [1,0,0,1,0,0|0,0,2]=4 596 B11R1.101 O=C1CCCCCCCCN1 Amb4034840 [1,0,0,1,0,0|1,0,1]=4 597 B11R1.101 O[C@H]1C#CCCCCCCC1 Amb27833371 [1,0,0,1,0,0|0,0,2]=4 598 B11R1.107 CC1CCCCCCC(=O)C1 Amb28200023 [1,0,0,1,0,0|0,0,2]=4 599 B11R1.130 CCOC1CC1C#CC(=O)O Amb35671227 [1,0,0,1,0,0|1,0,0]=3 600 B11R1.143 CC(=O)C1CCCCCC1C Amb35725700 [1,0,0,1,0,0|0,0,2]=4 601 B11R1.161 CC1CCC1CCCC(=O)O Amb27266949 [1,0,0,1,0,0|0,0,2]=4 602 B11R1.172 CC(=O)CCCC1CCCC1 Amb26076138 [1,0,0,1,0,0|0,0,2]=4 603 B11R1.172 CC(=O)COCC1CCCC1 Amb28386909 [1,0,0,1,0,0|1,0,1]=4 604 B11R1.172 CC(=O)CSCC1CCCC1 Amb27269541 [1,0,0,1,0,0|1,0,1]=4 605 B11R1.172 CC(=O)NCCC1CCCC1 Amb8328911 [1,0,0,1,0,0|1,0,1]=4 606 B11R1.172 CC(=O)OCCC1CCCC1 Amb28326525 [1,0,0,1,0,0|1,0,1]=4 607 B11R1.172 CC(=O)\C=C\CC1CCCC1 Amb33378003 [1,0,0,1,0,0|0,0,2]=4 608 B11R1.172 O=C(O)C#CCC1CCCC1 Amb28370188 [1,0,0,1,0,0|0,0,0]=2 609 B11R1.172 O=C(O)CC#CC1CCCC1 Amb26346554 [1,0,0,1,0,0|0,0,2]=4 610 B11R1.172 O=C(O)CCCC1CCCC1 Amb19149142 [1,0,0,1,0,0|0,0,2]=4 611 B11R1.172 O=C(O)COCC1CCCC1 Amb21963936 [1,0,0,1,0,0|1,0,1]=4 612 B11R1.172 O=C(O)\C=C\CC1CCCC1 Amb33172382 [1,0,0,1,0,0|0,0,2]=4 613 B11R1.174 O=C(O)C#CCOC1CCC1 Amb28132228 [1,0,0,1,0,0|1,0,0]=3 614 B11R1.193 CCCC1CCCC1C(=O)O Amb18644850 [1,0,0,1,0,0|0,0,2]=4 615 B11R1.193 CCCC1CCNC1C(=O)O Amb25241187 [1,0,0,1,0,0|1,0,1]=4 616 B11R1.193 CCCC1CCNC1C(=O)O Amb28652947 [1,0,0,1,0,0|1,0,1]=4 617 B11R1.193 CCCC1CCN[C@@H]1C(=O)O Amb28340938 [1,0,0,1,0,0|1,0,1]=4 618 B11R1.193 CCC[C@@H]1CCC[C@@H]1C(=O)O Amb27878683 [1,0,0,1,0,0|0,0,2]=4 619 B11R1.193 CCC[C@@H]1CCN[C@H]1C(=O)O Amb26452406 [1,0,0,1,0,0|1,0,1]=4 620 B11R1.245 CCC1CCCC=CC(=O)C1 Amb27954110 [1,0,0,1,0,0|0,0,2]=4 621 B11R1.271 CCN1CCC1C#CC(=O)O Amb33169073 [1,0,0,1,0,0|1,0,0]=3 622 B11R1.706 CC(=O)C1=CCCCCCC1 Amb27473365 [1,0,0,1,0,0|0,0,2]=4 623 B11R1.706 CC(=O)C1CCCCCCC1 Amb25327542 [1,0,0,1,0,0|0,0,2]=4 624 B11R1.706 O=C(O)C1CCCCCCC1 Amb18278612 [1,0,0,1,0,0|0,0,2]=4 625 B11R1.706 O=C(O)C1CCCCCCN1 Amb27760420 [1,0,0,1,0,0|1,0,1]=4 626 B11R1.706 O=C(O)C1CCCCCCN1 Amb28652940 [1,0,0,1,0,0|1,0,1]=4 627 B11R1.742 CC(=O)C=C1CCCCCC1 Amb27948607 [1,0,0,1,0,0|0,0,2]=4 628 B11R1.742 CC(=O)CC1CCCCCC1 Amb25094261 [1,0,0,1,0,0|0,0,2]=4 629 B11R1.742 CC(=O)CN1CCCCCC1 Amb8427988 [1,0,0,1,0,0|1,0,1]=4 630 B11R1.742 CC(=O)CN1CCCCCC1 Amb9173328 [1,0,0,1,0,0|1,0,1]=4 631 B11R1.742 CC(=O)OC1CCCCCC1 Amb26487005 [1,0,0,1,0,0|1,0,1]=4 632 B11R1.742 O=C(O)C=C1CCCCCC1 Amb6749176 [1,0,0,1,0,0|0,0,2]=4 633 B11R1.742 O=C(O)CC1CCCCCC1 Amb6749261 [1,0,0,1,0,0|0,0,2]=4 634 B11R1.742 O=C(O)CN1CCCCCC1 Amb2536986 [1,0,0,1,0,0|1,0,1]=4 635 B11R1.742 O=C(O)CN1CCCCCC1 Amb9677404 [1,0,0,1,0,0|1,0,1]=4 636 B11R1.190 COCC#CCC1CCC1O Amb32950729 [1,0,0,1,0,0|1,0,1]=4 637 B11R1.248 COC1=NCCCCCCC1 Amb25188547 [1,0,0,1,0,0|1,0,1]=4 638 B11R1.1 O=C1CCC(CCCO)CO1 Amb27665639 [1,0,0,1,0,0|1,0,1]=4 639 B11R1.1 O=C1CC[C@H](CCCO)CO1 Amb27605432 [1,0,0,1,0,0|1,0,1]=4 640 B11R1.25 CCC(=O)OCC1CCCC1 Amb28326454 [1,0,0,1,0,0|2,0,0]=4 641 B11R1.25 CNC(=O)CCC1CCCC1 Amb3742781 [1,0,0,1,0,0|1,0,1]=4 642 B11R1.25 COC(=O)C#CC1=CCCC1 Amb27405099 [1,0,0,1,0,0|0,0,2]=4 643 B11R1.25 COC(=O)C#CC1CCCC1 Amb25756477 [1,0,0,1,0,0|0,0,0]=2 644 B11R1.25 COC(=O)C#CC1CCCN1 Amb33168792 [1,0,0,1,0,0|1,0,0]=3 645 B11R1.25 COC(=O)C#CC1CCCO1 Amb27172381 [1,0,0,1,0,0|1,0,0]=3 646 B11R1.25 COC(=O)C#CC1CCCS1 Amb33168876 [1,0,0,1,0,0|1,0,0]=3 647 B11R1.25 COC(=O)C#CC1CCOC1 Amb28388558 [1,0,0,1,0,0|1,0,0]=3 648 B11R1.25 COC(=O)C#CC1CSCN1 Amb33168793 [1,0,0,1,0,0|2,0,0]=4 649 B11R1.25 COC(=O)C#CC1NCCS1 Amb33168819 [1,0,0,1,0,0|2,0,0]=4 650 B11R1.25 COC(=O)CCC1CCCC1 Amb9241816 [1,0,0,1,0,0|0,0,1]=3 651 B11R1.25 COC(=O)CCC1CCCN1 Amb25383432 [1,0,0,1,0,0|1,0,1]=4 652 B11R1.25 COC(=O)CCC1CCCO1 Amb13951567 [1,0,0,1,0,0|1,0,1]=4 653 B11R1.25 COC(=O)CCC1CCNC1 Amb22737489 [1,0,0,1,0,0|1,0,1]=4 654 B11R1.25 COC(=O)CCC1CCNC1 Amb23439087 [1,0,0,1,0,0|1,0,1]=4 655 B11R1.25 COC(=O)CCC1CCOC1 Amb27987423 [1,0,0,1,0,0|1,0,1]=4 656 B11R1.25 COC(=O)CCN1CCCC1 Amb7755701 [1,0,0,1,0,0|1,0,1]=4 657 B11R1.25 COC(=O)CC[C@@H]1CCCN1 Amb27000047 [1,0,0,1,0,0|1,0,1]=4 658 B11R1.25 COC(=O)CC[C@H]1CCCN1 Amb26990594 [1,0,0,1,0,0|1,0,1]=4 659 B11R1.25 COC(=O)CNC1CCCC1 Amb19958344 [1,0,0,1,0,0|1,0,1]=4 660 B11R1.25 COC(=O)CNC1CCCC1 Amb6686961 [1,0,0,1,0,0|1,0,1]=4 661 B11R1.25 COC(=O)COC1CCCC1 Amb9206354 [1,0,0,1,0,0|1,0,1]=4 662 B11R1.25 COC(=O)NCC1CCCN1 Amb18299490 [1,0,0,1,0,0|2,0,0]=4 663 B11R1.25 COC(=O)NCC1CCSC1 Amb27464906 [1,0,0,1,0,0|2,0,0]=4 664 B11R1.25 COC(=O)NC[C@@H]1CCCN1 Amb27839887 [1,0,0,1,0,0|2,0,0]=4 665 B11R1.25 COC(=O)NOC1CCCC1 Amb27462937 [1,0,0,1,0,0|2,0,0]=4 666 B11R1.25 COC(=O)\C=C\C1CCCC1 Amb33986201 [1,0,0,1,0,0|0,0,2]=4 667 B11R1.25 COC(=S)SCC1CCCC1 Amb26070467 [1,0,0,1,0,0|1,1,0]=4 668 B11R1.40 CCC(=O)CC1CCCCC1 Amb18796799 [1,0,0,1,0,0|1,0,1]=4 669 B11R1.40 CCC(=O)OC1CCCCC1 Amb20246948 [1,0,0,1,0,0|2,0,0]=4 670 B11R1.40 CNC(=O)CC1CCCCC1 Amb25681975 [1,0,0,1,0,0|1,0,1]=4 671 B11R1.40 CNC(=O)NC1CCCCC1 Amb2132762 [1,0,0,1,0,0|2,0,0]=4 672 B11R1.40 COC(=O)C=C1CCCCC1 Amb22365303 [1,0,0,1,0,0|0,0,2]=4 673 B11R1.40 COC(=O)CC1CCCCC1 Amb9241853 [1,0,0,1,0,0|0,0,1]=3 674 B11R1.40 COC(=O)CC1CCCCN1 Amb10609609 [1,0,0,1,0,0|1,0,1]=4 675 B11R1.40 COC(=O)CC1CCCCN1 Amb4021741 [1,0,0,1,0,0|1,0,1]=4 676 B11R1.40 COC(=O)CC1CCCCO1 Amb17506863 [1,0,0,1,0,0|1,0,1]=4 677 B11R1.40 COC(=O)CC1CCCNC1 Amb18299988 [1,0,0,1,0,0|1,0,1]=4 678 B11R1.40 COC(=O)CC1CCCNC1 Amb8396690 [1,0,0,1,0,0|1,0,1]=4 679 B11R1.40 COC(=O)CC1CCCSC1 Amb33165599 [1,0,0,1,0,0|1,0,1]=4 680 B11R1.40 COC(=O)CC1CCNCC1 Amb1102592 [1,0,0,1,0,0|1,0,1]=4 681 B11R1.40 COC(=O)CC1CCNCC1 Amb8396700 [1,0,0,1,0,0|1,0,1]=4 682 B11R1.40 COC(=O)CC1CCOCC1 Amb21963544 [1,0,0,1,0,0|1,0,1]=4 683 B11R1.40 COC(=O)CC1CCSCC1 Amb22546400 [1,0,0,1,0,0|1,0,1]=4 684 B11R1.40 COC(=O)CN1CCCCC1 Amb2583056 [1,0,0,1,0,0|1,0,1]=4 685 B11R1.40 COC(=O)C[C@@H]1CCCCN1 Amb13885780 [1,0,0,1,0,0|1,0,1]=4 686 B11R1.40 COC(=O)C[C@@H]1CCCCN1 Amb13885785 [1,0,0,1,0,0|1,0,1]=4 687 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Amb24487763 [1,0,0,1,0,0|1,0,1]=4 688 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Amb8396691 [1,0,0,1,0,0|1,0,1]=4 689 B11R1.40 COC(=O)C[C@H]1CCCCN1 Amb13885771 [1,0,0,1,0,0|1,0,1]=4 690 B11R1.40 COC(=O)C[C@H]1CCCCN1 Amb13885784 [1,0,0,1,0,0|1,0,1]=4 691 B11R1.40 COC(=O)C[C@H]1CCCNC1 Amb24487698 [1,0,0,1,0,0|1,0,1]=4 692 B11R1.40 COC(=O)C[C@H]1CCCNC1 Amb8396692 [1,0,0,1,0,0|1,0,1]=4 693 B11R1.40 COC(=O)NC1CCCCC1 Amb9900327 [1,0,0,1,0,0|1,0,0]=3 694 B11R1.40 COC(=O)NC1CCCNC1 Amb6668900 [1,0,0,1,0,0|2,0,0]=4 695 B11R1.40 COC(=O)NC1CCCOC1 Amb27798362 [1,0,0,1,0,0|2,0,0]=4 696 B11R1.40 COC(=O)NC1CCNCC1 Amb32667970 [1,0,0,1,0,0|2,0,0]=4 697 B11R1.40 COC(=O)NC1CCNCC1 Amb6668888 [1,0,0,1,0,0|2,0,0]=4 698 B11R1.40 COC(=O)N[C@H]1CCCNC1 Amb27865762 [1,0,0,1,0,0|2,0,0]=4 699 B11R1.40 COC(=O)OC1CCCNC1 Amb27236914 [1,0,0,1,0,0|2,0,0]=4 700 B11R1.40 COC(=S)NC1CCCCC1 Amb27169381 [1,0,0,1,0,0|1,1,0]=4 701 B11R1.59 CCC1CCCN1C(=O)NC Amb27431430 [1,0,0,1,0,0|2,0,0]=4 702 B11R1.59 CCC1CCNC1C(=O)OC Amb18126064 [1,0,0,1,0,0|1,0,1]=4 703 B11R1.59 CCC1NCCC1C(=O)OC Amb24486989 [1,0,0,1,0,0|1,0,1]=4 704 B11R1.59 CCC1OCCC1C(=O)OC Amb27233144 [1,0,0,1,0,0|1,0,1]=4 705 B11R1.59 CCN1CCCC1C(=O)OC Amb5492756 [1,0,0,1,0,0|1,0,1]=4 706 B11R1.59 CC[C@H]1CCN[C@@H]1C(=O)OC Amb24562884 [1,0,0,1,0,0|1,0,1]=4 707 B11R1.59 CC[C@H]1CCN[C@H]1C(=O)OC Amb27649195 [1,0,0,1,0,0|1,0,1]=4 708 B11R1.59 COC(=O)C1CCCC1CN Amb26507675 [1,0,0,1,0,0|1,0,1]=4 709 B11R1.59 COC(=O)C1CCCC1CO Amb25137259 [1,0,0,1,0,0|1,0,1]=4 710 B11R1.59 COC(=O)C1CCC[C@H]1CO Amb28065856 [1,0,0,1,0,0|1,0,1]=4 711 B11R1.59 COC(=O)N1CCCC1CO Amb18787836 [1,0,0,1,0,0|2,0,0]=4 712 B11R1.59 COC(=O)N1CCCC1OC Amb19890180 [1,0,0,1,0,0|2,0,0]=4 713 B11R1.59 COC(=O)N1CCC[C@@H]1CN Amb28367092 [1,0,0,1,0,0|2,0,0]=4 714 B11R1.59 COC(=O)N1CCC[C@H]1CO Amb27457824 [1,0,0,1,0,0|2,0,0]=4 715 B11R1.59 COC(=O)[C@@H]1CCC[C@@H]1CN Amb27191022 [1,0,0,1,0,0|1,0,1]=4 716 B11R1.59 COC(=O)[C@@H]1CCC[C@H]1CO Amb6299836 [1,0,0,1,0,0|1,0,1]=4 717 B11R1.115 CNCC1CCN1C(=O)OC Amb27674413 [1,0,0,1,0,0|2,0,0]=4 718 B11R1.115 COC(=O)N1CCC1CCN Amb27674410 [1,0,0,1,0,0|2,0,0]=4 719 B11R1.115 COC(=O)N1CCC1CCO Amb27674314 [1,0,0,1,0,0|2,0,0]=4 720 B11R1.131 CCCC1CC1NC(=O)CC Amb27271447 [1,0,0,1,0,0|2,0,0]=4 721 B11R1.131 CCCC1CC1NC(=O)OC Amb27271433 [1,0,0,1,0,0|1,0,0]=3 722 B11R1.135 CCCC1CCNC(=O)CC1 Amb9316853 [1,0,0,1,0,0|2,0,0]=4 723 B11R1.212 CCCCC1CCC(=O)C1C Amb27982197 [1,0,0,1,0,0|1,0,1]=4 724 B11R1.212 CCCC[C@@H]1CCC(=O)[C@H]1C Amb27432697 [1,0,0,1,0,0|1,0,1]=4 725 B11R1.222 COC(=N)C1CCCCC1C Amb28286087 [1,0,0,1,0,0|1,0,1]=4 726 B11R1.222 COC(=O)C1=C(C)CCCC1 Amb24593167 [1,0,0,1,0,0|0,0,2]=4 727 B11R1.222 COC(=O)C1CCCCC1Br Amb24509456 [1,0,0,1,0,0|1,0,1]=4 728 B11R1.222 COC(=O)C1CCCCC1Cl Amb27658948 [1,0,0,1,0,0|1,0,1]=4 729 B11R1.222 COC(=O)C1CCCCC1N Amb32652851 [1,0,0,1,0,0|1,0,1]=4 730 B11R1.222 COC(=O)C1CCCCC1N Amb5720245 [1,0,0,1,0,0|1,0,1]=4 731 B11R1.222 COC(=O)C1CCCCC1O Amb4013515 [1,0,0,1,0,0|1,0,1]=4 732 B11R1.222 COC(=O)C1CCCCN1C Amb29837946 [1,0,0,1,0,0|1,0,1]=4 733 B11R1.222 COC(=O)C1CCCC[C@@H]1N Amb27758069 [1,0,0,1,0,0|1,0,1]=4 734 B11R1.222 COC(=O)C1CCCNC1C Amb22728307 [1,0,0,1,0,0|1,0,1]=4 735 B11R1.222 COC(=O)C1CCNCC1C Amb25892523 [1,0,0,1,0,0|1,0,1]=4 736 B11R1.222 COC(=O)C1CCNCC1C Amb28652922 [1,0,0,1,0,0|1,0,1]=4 737 B11R1.222 COC(=O)C1CNCCC1C Amb22586069 [1,0,0,1,0,0|1,0,1]=4 738 B11R1.222 COC(=O)C1CNCCC1C Amb23438866 [1,0,0,1,0,0|1,0,1]=4 739 B11R1.222 COC(=O)C1NCCCC1C Amb23590118 [1,0,0,1,0,0|1,0,1]=4 740 B11R1.222 COC(=O)N1CCCCC1O Amb27201370 [1,0,0,1,0,0|2,0,0]=4 741 B11R1.222 COC(=O)N1CCNC[C@@H]1C Amb25883723 [1,0,0,1,0,0|2,0,0]=4 742 B11R1.222 COC(=O)N1CCNC[C@@H]1C Amb33330281 [1,0,0,1,0,0|2,0,0]=4 743 B11R1.222 COC(=O)N1CCOCC1C Amb26355810 [1,0,0,1,0,0|2,0,0]=4 744 B11R1.222 COC(=O)N1CCOC[C@@H]1C Amb29862406 [1,0,0,1,0,0|2,0,0]=4 745 B11R1.222 COC(=O)N1CCSCC1C Amb27852840 [1,0,0,1,0,0|2,0,0]=4 746 B11R1.222 COC(=O)[C@@H]1CCCCN1C Amb27832197 [1,0,0,1,0,0|1,0,1]=4 747 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1Cl Amb28057557 [1,0,0,1,0,0|1,0,1]=4 748 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N Amb25945407 [1,0,0,1,0,0|1,0,1]=4 749 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N Amb32652863 [1,0,0,1,0,0|1,0,1]=4 750 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1O Amb25955060 [1,0,0,1,0,0|1,0,1]=4 751 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N Amb22747096 [1,0,0,1,0,0|1,0,1]=4 752 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N Amb30868037 [1,0,0,1,0,0|1,0,1]=4 753 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1O Amb28053335 [1,0,0,1,0,0|1,0,1]=4 754 B11R1.222 COC(=O)[C@@H]1CCCN[C@@H]1C Amb26388831 [1,0,0,1,0,0|1,0,1]=4 755 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C Amb30647377 [1,0,0,1,0,0|1,0,1]=4 756 B11R1.222 COC(=O)[C@@H]1CCNC[C@H]1C Amb28056084 [1,0,0,1,0,0|1,0,1]=4 757 B11R1.222 COC(=O)[C@@H]1CCNC[C@H]1C Amb34915334 [1,0,0,1,0,0|1,0,1]=4 758 B11R1.222 COC(=O)[C@@H]1CNCC[C@@H]1C Amb26405848 [1,0,0,1,0,0|1,0,1]=4 759 B11R1.222 COC(=O)[C@@H]1NCCC[C@@H]1C Amb24716098 [1,0,0,1,0,0|1,0,1]=4 760 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N Amb27422013 [1,0,0,1,0,0|1,0,1]=4 761 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N Amb33806189 [1,0,0,1,0,0|1,0,1]=4 762 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1O Amb27448432 [1,0,0,1,0,0|1,0,1]=4 763 B11R1.222 COC(=O)[C@H]1CCCN[C@@H]1C Amb27617825 [1,0,0,1,0,0|1,0,1]=4 764 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C Amb22230837 [1,0,0,1,0,0|1,0,1]=4 765 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C Amb23401393 [1,0,0,1,0,0|1,0,1]=4 766 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C Amb28196685 [1,0,0,1,0,0|1,0,1]=4 767 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C Amb27444595 [1,0,0,1,0,0|1,0,1]=4 768 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C Amb31028946 [1,0,0,1,0,0|1,0,1]=4 769 B11R1.222 COC(=O)[C@H]1NCCC[C@@H]1C Amb27623073 [1,0,0,1,0,0|1,0,1]=4 770 B11R1.223 COC(=O)CNC1CCC1C Amb27270147 [1,0,0,1,0,0|1,0,1]=4 771 B11R1.228 CCC(=O)NC1CCCC1C Amb27973185 [1,0,0,1,0,0|2,0,0]=4 772 B11R1.228 CNC(=O)CC1CCCC1C Amb28062135 [1,0,0,1,0,0|1,0,1]=4 773 B11R1.228 COC(=O)CC1CCCC1C Amb27768232 [1,0,0,1,0,0|0,0,1]=3 774 B11R1.228 COC(=O)CC1CCCC1N Amb24533155 [1,0,0,1,0,0|1,0,1]=4 775 B11R1.228 COC(=O)CC1CCCN1C Amb27828246 [1,0,0,1,0,0|1,0,1]=4 776 B11R1.228 COC(=O)CC1CCOC1C Amb27647949 [1,0,0,1,0,0|1,0,1]=4 777 B11R1.228 COC(=O)CC1CNCC1C Amb32753519 [1,0,0,1,0,0|1,0,1]=4 778 B11R1.228 COC(=O)CC1CNCC1C Amb32753537 [1,0,0,1,0,0|1,0,1]=4 779 B11R1.228 COC(=O)CC1NCCC1C Amb27633305 [1,0,0,1,0,0|1,0,1]=4 780 B11R1.228 COC(=O)CC1OCCC1C Amb33742691 [1,0,0,1,0,0|1,0,1]=4 781 B11R1.228 COC(=O)C[C@@H]1CCC[C@H]1N Amb26918405 [1,0,0,1,0,0|1,0,1]=4 782 B11R1.228 COC(=O)C[C@@H]1CCC[C@H]1N Amb33042749 [1,0,0,1,0,0|1,0,1]=4 783 B11R1.228 COC(=O)C[C@@H]1CCC[C@H]1O Amb27966711 [1,0,0,1,0,0|1,0,1]=4 784 B11R1.228 COC(=O)C[C@@H]1CNC[C@H]1C Amb32683470 [1,0,0,1,0,0|1,0,1]=4 785 B11R1.228 COC(=O)C[C@@H]1CNC[C@H]1C Amb32684494 [1,0,0,1,0,0|1,0,1]=4 786 B11R1.228 COC(=O)C[C@H]1CCC[C@@H]1O Amb28053338 [1,0,0,1,0,0|1,0,1]=4 787 B11R1.228 COC(=O)C[C@H]1CCC[C@H]1O Amb27422614 [1,0,0,1,0,0|1,0,1]=4 788 B11R1.228 COC(=O)NC1CCCC1O Amb27768286 [1,0,0,1,0,0|2,0,0]=4 789 B11R1.228 COC(=O)NC1CCNC1C Amb28127290 [1,0,0,1,0,0|2,0,0]=4 790 B11R1.228 COC(=O)NC1CCSC1C Amb27646052 [1,0,0,1,0,0|2,0,0]=4 791 B11R1.228 COC(=O)NC1CNCC1C Amb27246940 [1,0,0,1,0,0|2,0,0]=4 792 B11R1.228 COC(=O)NC1COCC1C Amb35613754 [1,0,0,1,0,0|2,0,0]=4 793 B11R1.228 COC(=O)OC1CCCC1N Amb27207132 [1,0,0,1,0,0|2,0,0]=4 794 B11R1.228 COC(=O)\C=C1\CCCC1C Amb24712218 [1,0,0,1,0,0|0,0,2]=4 795 B11R1.236 CNC(=O)NCCC1CCC1 Amb27472377 [1,0,0,1,0,0|2,0,0]=4 796 B11R1.236 COC(=O)NCCC1CCC1 Amb28387542 [1,0,0,1,0,0|1,0,0]=3 797 B11R1.236 COC(=O)NCCC1CCN1 Amb27674420 [1,0,0,1,0,0|2,0,0]=4 798 B11R1.236 COC(=O)NCCC1CNC1 Amb27674416 [1,0,0,1,0,0|2,0,0]=4 799 B11R1.236 COC(=O)NCCN1CCC1 Amb27987387 [1,0,0,1,0,0|2,0,0]=4 800 B11R1.237 COC(=O)CCNCC1CC1 Amb9026197 [1,0,0,1,0,0|1,0,1]=4 801 B11R1.237 COC(=O)CCOCC1CC1 Amb9206402 [1,0,0,1,0,0|1,0,1]=4 802 B11R1.255 CCC1CC1CNC(=O)NC Amb27214204 [1,0,0,1,0,0|2,0,0]=4 803 B11R1.255 CCC1CC1CNC(=O)OC Amb27671436 [1,0,0,1,0,0|1,0,0]=3 804 B11R1.255 CC[C@@H]1C[C@H]1C#CC(=O)OC Amb27433670 [1,0,0,1,0,0|0,0,0]=2 805 B11R1.255 CC[C@@H]1C[C@H]1CNC(=O)OC Amb27671437 [1,0,0,1,0,0|1,0,0]=3 806 B11R1.255 COC(=O)C#CC1CC1OC Amb35671224 [1,0,0,1,0,0|1,0,0]=3 807 B11R1.272 CCC1CCN1CC(=O)OC Amb27986952 [1,0,0,1,0,0|1,0,1]=4 808 B11R1.276 CCC1CCCCC(=O)NC1 Amb28287711 [1,0,0,1,0,0|1,0,1]=4 809 B11R1.381 CCC1CCCCC(=O)N1C Amb2779826 [1,0,0,1,0,0|1,0,1]=4 810 B11R1.852 CCC(=O)C1CCCCCC1 Amb27455372 [1,0,0,1,0,0|1,0,1]=4 811 B11R1.852 CCC(=O)N1CCCCCC1 Amb5797491 [1,0,0,1,0,0|2,0,0]=4 812 B11R1.852 COC(=O)C1=CCCCCC1 Amb26060569 [1,0,0,1,0,0|0,0,2]=4 813 B11R1.852 COC(=O)C1CCCCCC1 Amb18182101 [1,0,0,1,0,0|0,0,1]=3 814 B11R1.852 COC(=O)C1CCCCCN1 Amb21963566 [1,0,0,1,0,0|1,0,1]=4 815 B11R1.852 COC(=O)C1CCCCCN1 Amb33548478 [1,0,0,1,0,0|1,0,1]=4 816 B11R1.852 COC(=O)C1CCCCNC1 Amb21963336 [1,0,0,1,0,0|1,0,1]=4 817 B11R1.852 COC(=O)C1CCCCNC1 Amb22490910 [1,0,0,1,0,0|1,0,1]=4 818 B11R1.852 COC(=O)C1CCCNCC1 Amb22170283 [1,0,0,1,0,0|1,0,1]=4 819 B11R1.852 COC(=O)C1CCCNCC1 Amb22230921 [1,0,0,1,0,0|1,0,1]=4 820 B11R1.852 COC(=O)C1CCCSCC1 Amb30030973 [1,0,0,1,0,0|1,0,1]=4 821 B11R1.852 COC(=O)N1CCCCCC1 Amb17789384 [1,0,0,1,0,0|1,0,0]=3 822 B11R1.852 COC(=O)N1CCCCCO1 Amb27207557 [1,0,0,1,0,0|2,0,0]=4 823 B11R1.852 COC(=O)N1CCCNCC1 Amb22886449 [1,0,0,1,0,0|2,0,0]=4 824 B11R1.852 COC(=O)N1CCCNCC1 Amb6668674 [1,0,0,1,0,0|2,0,0]=4 825 B13R1.42 CCOC(=O)C#CC1CCCCC1 Amb33168619 [0,1,0,1,0,0|0,0,0]=2 826 B13R1.42 CCOC(=O)C#CC1CCCCN1 Amb33168629 [0,1,0,1,0,0|1,0,0]=3 827 B13R1.42 CCOC(=O)C#CC1CCCCO1 Amb33168706 [0,1,0,1,0,0|1,0,0]=3 828 B13R1.42 CCOC(=O)C#CC1CCCCS1 Amb33168748 [0,1,0,1,0,0|1,0,0]=3 829 B13R1.42 CCOC(=O)C#CC1CCCNC1 Amb33168628 [0,1,0,1,0,0|1,0,0]=3 830 B13R1.42 CCOC(=O)C#CC1CCCOC1 Amb33168692 [0,1,0,1,0,0|1,0,0]=3 831 B13R1.42 CCOC(=O)C#CC1CCCSC1 Amb33168741 [0,1,0,1,0,0|1,0,0]=3 832 B13R1.42 CCOC(=O)C#CC1CCNCC1 Amb28128834 [0,1,0,1,0,0|1,0,0]=3 833 B13R1.42 CCOC(=O)C#CC1CCOCC1 Amb33168640 [0,1,0,1,0,0|1,0,0]=3 834 B13R1.42 CCOC(=O)C#CC1CCSCC1 Amb33168726 [0,1,0,1,0,0|1,0,0]=3 835 B13R1.42 CCOC(=O)C#CC1CNCCN1 Amb33168660 [0,1,0,1,0,0|2,0,0]=4 836 B13R1.42 CCOC(=O)C#CC1CNCCO1 Amb33168697 [0,1,0,1,0,0|2,0,0]=4 837 B13R1.42 CCOC(=O)C#CC1COCCN1 Amb33168724 [0,1,0,1,0,0|2,0,0]=4 838 B13R1.42 CCOC(=O)C#CC1CSCCS1 Amb33168639 [0,1,0,1,0,0|2,0,0]=4 839 B13R1.42 CCOC(=O)CCC1CCCCC1 Amb4007386 [0,1,0,1,0,0|0,0,2]=4 840 B13R1.42 CCOC(=O)CNC1CCCCC1 Amb33548346 [0,1,0,1,0,0|1,0,1]=4 841 B13R1.42 CCOC(=O)CNC1CCCCC1 Amb6706998 [0,1,0,1,0,0|1,0,1]=4 842 B13R1.42 CCOC(=O)\C=C\C1CCCCC1 Amb10067015 [0,1,0,1,0,0|0,0,2]=4 843 B13R1.42 CONC(=O)\C=C\C1CCCCC1 Amb27188312 [0,1,0,1,0,0|0,0,2]=4 844 B13R1.208 CCCC1CCNC1C(=O)OCC Amb33727374 [0,1,0,1,0,0|1,0,1]=4 845 B13R1.444 CCOC(=O)C#CC1CCCC1O Amb27978015 [0,1,0,1,0,0|1,0,0]=3 846 B13R1.444 CCOC(=O)C#CC1CCCN1C Amb33168701 [0,1,0,1,0,0|1,0,0]=3 847 B13R1.444 CCOC(=O)C#CC1CCNC1C Amb33168773 [0,1,0,1,0,0|1,0,0]=3 848 B13R1.444 CCOC(=O)C#CC1CCOC1C Amb33168764 [0,1,0,1,0,0|1,0,0]=3 849 B13R1.444 CCOC(=O)C#CC1NCCC1C Amb33168740 [0,1,0,1,0,0|1,0,0]=3 850 B13R1.444 CONC(=O)NCC1CCCC1C Amb28400617 [0,1,0,1,0,0|1,0,1]=4 851 B13R1.445 CCOC(=O)C#CC1CCN1CC Amb33168780 [0,1,0,1,0,0|1,0,0]=3 852 B13R1.463 CC1CCCCCN1C(=O)OCCl Amb35644462 [0,1,0,1,0,0|1,0,1]=4 853 B13R1.463 CCOC(=O)N1CCCCCC1C Amb28366124 [0,1,0,1,0,0|1,0,1]=4 854 B13R1.464 CCC1CCCCC1C(=O)NOC Amb27823966 [0,1,0,1,0,0|0,0,2]=4 855 B13R1.470 CC1CCCCC1NC(=O)OCCl Amb35609213 [0,1,0,1,0,0|1,0,1]=4 856 B13R1.470 CCOC(=O)CN1CCCCC1C Amb7761441 [0,1,0,1,0,0|1,0,1]=4 857 B13R1.470 CCOC(=O)\C=C1\CCCCC1C Amb33493086 [0,1,0,1,0,0|0,0,2]=4 858 B13R1.1464 CCOC(=O)C1=CCCCCCC1 Amb27217937 [0,1,0,1,0,0|0,0,2]=4 859 B13R1.1464 CCOC(=O)C1CCCCCCC1 Amb25063758 [0,1,0,1,0,0|0,0,2]=4 860 B13R1.1464 CCOC(=O)C1CCCCCCN1 Amb25104056 [0,1,0,1,0,0|1,0,1]=4 861 B13R1.1464 COCC(=O)C1=CCCCCCC1 Amb27787643 [0,1,0,1,0,0|0,0,2]=4 862 B13R1.1464 COCC(=O)N1CCCCCCC1 Amb8337608 [0,1,0,1,0,0|1,0,1]=4 863 B13R1.1464 O=C(OCCl)N1CCCCCCC1 Amb35644944 [0,1,0,1,0,0|1,0,1]=4 864 B13R1.1575 CCOC(=O)C=C1CCCCCC1 Amb2686625 [0,1,0,1,0,0|0,0,2]=4 865 B13R1.1575 CCOC(=O)CC1CCCCCC1 Amb10807917 [0,1,0,1,0,0|0,0,2]=4 866 B13R1.1575 CCOC(=O)CN1CCCCCC1 Amb7760714 [0,1,0,1,0,0|1,0,1]=4 867 B13R1.1575 CCOC(=O)NC1CCCCCC1 Amb6874631 [0,1,0,1,0,0|1,0,1]=4 868 B13R1.1575 COCC(=O)NC1CCCCCC1 Amb6569370 [0,1,0,1,0,0|1,0,1]=4 869 B13R1.1575 O=C(NC1CCCCCC1)OCCl Amb35644945 [0,1,0,1,0,0|1,0,1]=4 870 B13R1.135 COC(=O)C(N)CC1CCCCC1 Amb18129553 [0,1,0,1,0,0|0,0,2]=4 871 B13R1.135 COC(=O)C(N)CC1CCCCC1 Amb22751653 [0,1,0,1,0,0|0,0,2]=4 872 B13R1.135 COC(=O)C(O)CC1CCCCC1 Amb32652803 [0,1,0,1,0,0|0,0,2]=4 873 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 Amb10844884 [0,1,0,1,0,0|0,0,2]=4 874 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 Amb22745059 [0,1,0,1,0,0|0,0,2]=4 875 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 Amb33732016 [0,1,0,1,0,0|0,0,2]=4 876 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 Amb33765786 [0,1,0,1,0,0|0,0,2]=4 877 B13R1.554 COC(=O)C(N)CCC1CCCC1 Amb32941140 [0,1,0,1,0,0|0,0,2]=4 878 B13R1.554 COC(=O)C(O)CCC1CCCC1 Amb32954094 [0,1,0,1,0,0|0,0,2]=4 879 B13R1.696 COC(=O)C(O)C1CCCCC1C Amb28318005 [0,1,0,1,0,0|0,0,2]=4 880 B13R1.702 COC(=O)C(N)CCCC1CCC1 Amb32937021 [0,1,0,1,0,0|0,0,2]=4 881 B13R1.704 COC(=O)C(=O)NC1CCCC1C Amb28079336 [0,1,0,1,0,0|1,0,1]=4 882 B13R1.1689 COC(=O)C1CCCCCNCC1 Amb28141756 [0,1,0,1,0,0|0,0,2]=4 883 B13R1.1842 COC(=O)C1(N)CCCCCC1C Amb35681269 [0,1,0,1,0,0|0,0,2]=4 884 B13R1.1842 COC(=O)C1(O)CCCCCC1C Amb29865309 [0,1,0,1,0,0|0,0,2]=4 885 B13R1.1843 COC(=O)C1(N)CCCCCCC1 Amb22406520 [0,1,0,1,0,0|0,0,2]=4 886 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 Amb27606607 [0,1,0,1,0,0|1,0,1]=4 887 B13R1.2620 COC(=O)C(Cl)C1CCCCCC1 Amb27588482 [0,1,0,1,0,0|0,0,2]=4 888 B13R1.2620 COC(=O)C(N)C1CCCCCC1 Amb25676907 [0,1,0,1,0,0|0,0,2]=4 889 B13R1.2620 COC(=O)C(O)C1CCCCCC1 Amb26867640 [0,1,0,1,0,0|0,0,2]=4 890 B13R1.528 COC(=O)C#CC1CCCCN1C Amb33168857 [0,1,0,1,0,0|0,0,0]=2 891 B13R1.528 COC(=O)C#CC1CCNCC1C Amb33168867 [0,1,0,1,0,0|0,0,0]=2 892 B13R1.528 COC(=O)C#CC1CCOCC1C Amb27235395 [0,1,0,1,0,0|0,0,0]=2 893 B13R1.528 COC(=O)C#CC1COCCN1C Amb33168875 [0,1,0,1,0,0|1,0,0]=3 894 B13R1.528 COC(=O)CCC1CCCCC1N Amb33726906 [0,1,0,1,0,0|0,0,2]=4 895 B13R1.528 COC(=O)CCC1CCNCC1C Amb33747347 [0,1,0,1,0,0|0,0,2]=4 896 B13R1.528 COC(=O)CCN1CCCCC1C Amb7755661 [0,1,0,1,0,0|0,0,2]=4 897 B13R1.528 COC(=O)COC1CCCCC1C Amb9206376 [0,1,0,1,0,0|0,0,2]=4 898 B13R1.528 COC(=O)NCC1CCCCC1C Amb28351017 [0,1,0,1,0,0|0,0,2]=4 899 B13R1.528 COC(=O)NCC1CCCCN1C Amb27415034 [0,1,0,1,0,0|1,0,1]=4 900 B13R1.528 COC(=O)NCC1CCOCC1C Amb27599129 [0,1,0,1,0,0|1,0,1]=4 901 B13R1.528 COC(=O)NCC1NCCCC1C Amb27394523 [0,1,0,1,0,0|1,0,1]=4 902 B13R1.528 COC(=O)N\N=C1/CCCCC1C Amb28400636 [0,1,0,1,0,0|1,0,1]=4 903 B13R1.717 COC(=O)CNC[C@@H]1CC[C@H](N)C1 Amb33071913 [0,1,0,1,0,0|1,0,1]=4 904 B13R1.718 COC(=O)C#CCC1CCCCC1 Amb27798236 [0,1,0,1,0,0|0,0,0]=2 905 B13R1.718 COC(=O)CCCC1CCCCN1 Amb33746927 [0,1,0,1,0,0|0,0,2]=4 906 B13R1.718 COC(=O)CCCN1CCCCC1 Amb22235542 [0,1,0,1,0,0|0,0,2]=4 907 B13R1.718 COC(=O)CCCN1CCCCC1 Amb8455430 [0,1,0,1,0,0|0,0,2]=4 908 B13R1.718 COC(=O)CCNC1CCCCC1 Amb9203454 [0,1,0,1,0,0|0,0,2]=4 909 B13R1.718 COC(=O)CCOC1CCCCC1 Amb9206350 [0,1,0,1,0,0|0,0,2]=4 910 B13R1.718 COC(=O)COCC1CCCNC1 Amb32645722 [0,1,0,1,0,0|1,0,1]=4 911 B13R1.718 COC(=O)COCC1CCCNC1 Amb33330197 [0,1,0,1,0,0|1,0,1]=4 912 B13R1.718 COC(=O)COCC1CCNCC1 Amb35749673 [0,1,0,1,0,0|1,0,1]=4 913 B13R1.718 COC(=O)COCC1CCNCC1 Amb35751379 [0,1,0,1,0,0|1,0,1]=4 914 B13R1.718 COC(=O)CSCC1CCCCN1 Amb22395629 [0,1,0,1,0,0|1,0,1]=4 915 B13R1.718 COC(=O)CSCC1CCCNC1 Amb22395608 [0,1,0,1,0,0|1,0,1]=4 916 B13R1.718 COC(=O)CSCC1CCNCC1 Amb22395592 [0,1,0,1,0,0|1,0,1]=4 917 B13R1.718 COC(=O)NCCC1CCCCN1 Amb6668912 [0,1,0,1,0,0|1,0,1]=4 918 B13R1.718 COC(=O)N\N=C\C1CCCCC1 Amb25822131 [0,1,0,1,0,0|1,0,1]=4 919 B13R1.1680 COC(=O)[C@@H]1CCCC[C@H](O)CC1 Amb28319917 [0,1,0,1,0,0|0,0,2]=4 920 B13R1.2872 COC(=O)CN1CC(C)CCC1C Amb27177177 [0,1,0,1,0,0|1,0,1]=4 921 B13R1.2872 COC(=O)CN1CC(N)CCC1C Amb35643206 [0,1,0,1,0,0|1,0,1]=4 922 B13R1.2872 COC(=O)\C=C1/CC(C)CCC1C Amb32943323 [0,1,0,1,0,0|0,0,2]=4 923 B13R1.2872 COC(=O)\C=C1\CC(C)CCC1C Amb27883672 [0,1,0,1,0,0|0,0,2]=4 924 B13R1.11 COC(=O)CC(=O)C1CCCCC1 Amb21864707 [0,1,0,1,0,0|0,0,2]=4 925 B13R1.11 COC(=O)CC(N)C1CCCCC1 Amb18326764 [0,1,0,1,0,0|0,0,2]=4 926 B13R1.11 COC(=O)CC(N)C1CCCCC1 Amb33552159 [0,1,0,1,0,0|0,0,2]=4 927 B13R1.11 COC(=O)CC(O)C1CCCCC1 Amb33449085 [0,1,0,1,0,0|0,0,2]=4 928 B13R1.11 COC(=O)C[C@@H](N)C1CCCCC1 Amb32672466 [0,1,0,1,0,0|0,0,2]=4 929 B13R1.11 COC(=O)C[C@@H](N)C1CCCCC1 Amb33328780 [0,1,0,1,0,0|0,0,2]=4 930 B13R1.11 COC(=O)C[C@@H](O)C1CCCCC1 Amb33358827 [0,1,0,1,0,0|0,0,2]=4 931 B13R1.11 COC(=O)C[C@H](N)C1CCCCC1 Amb33254111 [0,1,0,1,0,0|0,0,2]=4 932 B13R1.11 COC(=O)C[C@H](O)C1CCCCC1 Amb33448455 [0,1,0,1,0,0|0,0,2]=4 933 B13R1.11 COC(=O)\C=C(\C)C1CCCCC1 Amb28317973 [0,1,0,1,0,0|0,0,2]=4 934 B13R1.81 CCC1CCC\C(=C/C(=O)OC)C1 Amb27609030 [0,1,0,1,0,0|0,0,2]=4 935 B13R1.81 CCC1CCC\C(=C\C(=O)OC)C1 Amb33492949 [0,1,0,1,0,0|0,0,2]=4 936 B13R1.442 COC(=O)CC(N)CCCC1CC1 Amb32787275 [0,1,0,1,0,0|0,0,2]=4 937 B13R1.545 COC(=O)CC(=O)CC1CCCC1 Amb33449727 [0,1,0,1,0,0|0,0,2]=4 938 B13R1.545 COC(=O)CC(N)CC1CCCC1 Amb33254669 [0,1,0,1,0,0|0,0,2]=4 939 B13R1.545 COC(=O)CC(O)CC1CCCC1 Amb33378012 [0,1,0,1,0,0|0,0,2]=4 940 B13R1.545 COC(=O)C[C@@H](O)CC1CCCC1 Amb33378014 [0,1,0,1,0,0|0,0,2]=4 941 B13R1.545 COC(=O)C[C@H](O)CC1CCCC1 Amb33378013 [0,1,0,1,0,0|0,0,2]=4 942 B13R1.546 COC(=O)C1=C(O)CCCCCC1 Amb24665622 [0,1,0,1,0,0|0,0,2]=4 943 B13R1.546 COC(=O)C1CCCCCCC1=O Amb22270247 [0,1,0,1,0,0|0,0,2]=4 944 B13R1.546 COC(=O)C1CCCCCCC1N Amb20668749 [0,1,0,1,0,0|0,0,2]=4 945 B13R1.546 COC(=O)C1CCCCCCC1N Amb25114777 [0,1,0,1,0,0|0,0,2]=4 946 B13R1.546 COC(=O)C1CCCCCC[C@@H]1O Amb27593953 [0,1,0,1,0,0|0,0,2]=4 947 B13R1.546 COC(=O)[C@@H]1CCCCCC[C@@H]1N Amb25932755 [0,1,0,1,0,0|0,0,2]=4 948 B13R1.546 COC(=O)[C@@H]1CCCCCC[C@@H]1N Amb32651799 [0,1,0,1,0,0|0,0,2]=4 949 B13R1.1870 COC(=O)C=C1CCCCCCC1 Amb25180453 [0,1,0,1,0,0|0,0,2]=4 950 B13R1.1870 COC(=O)CC1CCCCCCN1 Amb33356231 [0,1,0,1,0,0|0,0,2]=4 951 B13R1.1870 COC(=O)CN1CCCCCCC1 Amb7761444 [0,1,0,1,0,0|0,0,2]=4 952 B13R1.1870 COC(=O)NC1CCCCCCC1 Amb17739564 [0,1,0,1,0,0|0,0,2]=4 953 B13R1.1870 COC(=O)OC1CCCCCCC1 Amb25782061 [0,1,0,1,0,0|0,0,2]=4 954 B13R1.3145 CCC1CCCC1(N)CC(=O)OC Amb33308427 [0,1,0,1,0,0|0,0,2]=4 955 B13R1.4917 COC(=O)CC1(N)CCCCCC1 Amb27860375 [0,1,0,1,0,0|0,0,2]=4 956 B13R1.4940 COC(=O)CC1(N)CCCCC1C Amb27232561 [0,1,0,1,0,0|0,0,2]=4 957 B13R1.4940 COC(=O)NC1(C)CCCCC1C Amb27862680 [0,1,0,1,0,0|1,0,1]=4 958 B13R1.15 COC(=O)C#CC1CCCC(C)C1 Amb26565793 [0,1,0,1,0,0|0,0,0]=2 959 B13R1.15 COC(=O)NCC1CCCC(C)O1 Amb35648784 [0,1,0,1,0,0|1,0,1]=4 960 B13R1.61 CCC1CCC(C#CC(=O)OC)N1 Amb33168909 [0,1,0,1,0,0|0,0,0]=2 961 B13R1.162 COC(=O)C#CC(C)C1CCCC1 Amb33168902 [0,1,0,1,0,0|0,0,0]=2 962 B13R1.162 COC(=O)C#CC(C)C1CCCO1 Amb33168889 [0,1,0,1,0,0|1,0,0]=3 963 B13R1.162 COC(=O)CCC(N)C1CCCC1 Amb33315739 [0,1,0,1,0,0|0,0,2]=4 964 B13R1.527 COC(=O)CC1CCCCCC1N Amb32861898 [0,1,0,1,0,0|0,0,2]=4 965 B13R1.527 COC(=O)CN1CCSCCC1C Amb27396675 [0,1,0,1,0,0|1,0,1]=4 966 B13R1.527 COC(=O)NC1CCCCCC1O Amb27810523 [0,1,0,1,0,0|1,0,1]=4 967 B13R1.527 COC(=O)\C=C1\CCCCCC1C Amb35721700 [0,1,0,1,0,0|0,0,2]=4 968 B13R1.1711 COC(=O)C#CC1CCCCCC1 Amb25278204 [0,1,0,1,0,0|0,0,0]=2 969 B13R1.1711 COC(=O)C#CC1CCCCCN1 Amb33168837 [0,1,0,1,0,0|0,0,0]=2 970 B13R1.1711 COC(=O)C#CC1CNCCCN1 Amb33168913 [0,1,0,1,0,0|1,0,0]=3 971 B13R1.1711 COC(=O)CCN1CCCCCC1 Amb843107 [0,1,0,1,0,0|0,0,2]=4 972 B13R1.1711 COC(=O)NCC1CCCCNC1 Amb27828396 [0,1,0,1,0,0|1,0,1]=4 973 B13R1.1711 COC(=O)NCC1CCCSCC1 Amb30030719 [0,1,0,1,0,0|1,0,1]=4 974 B13R1.2045 COC(=O)C#CC1(C)CCCCC1 Amb27983418 [0,1,0,1,0,0|0,0,0]=2 975 B13R1.2045 COC(=O)C#CC1(O)CCCCC1 Amb2229139 [0,1,0,1,0,0|0,0,0]=2 976 B13R1.2045 COC(=O)CCC1(N)CCCCC1 Amb32751708 [0,1,0,1,0,0|0,0,2]=4 977 B13R1.2045 COC(=O)CCC1(N)CCCCC1 Amb32751709 [0,1,0,1,0,0|0,0,2]=4 978 B13R1.2045 COC(=O)NCC1(C)CCCCC1 Amb27813978 [0,1,0,1,0,0|1,0,1]=4 979 B13R1.2209 CCC1CCC(N)CC1C(=O)OC Amb32866425 [0,1,0,1,0,0|0,0,2]=4 980 B13R1.3546 COC(=O)C#CC(O)\C=C\C1CC1 Amb27763813 [0,1,0,1,0,0|0,0,2]=4 981 B13R1.3546 COC(=O)C#C[C@H](O)\C=C\C1CC1 Amb27394851 [0,1,0,1,0,0|0,0,2]=4 982 B13R1.4641 COC(=O)N1CC(C)CCCC1C Amb27188876 [0,1,0,1,0,0|1,0,1]=4 983 B13R1.4928 COC(=O)C=C1C(C)CCCC1C Amb33472156 [0,1,0,1,0,0|0,0,2]=4 984 B13R1.4928 COC(=O)CN1C(C)CCCC1C Amb7775287 [0,1,0,1,0,0|1,0,1]=4 985 B13R1.4928 COC(=O)CN1[C@H](C)CCC[C@H]1C Amb28126261 [0,1,0,1,0,0|1,0,1]=4 986 B13R1.4928 COC(=O)NN1C(C)CCCC1C Amb27829818 [0,1,0,1,0,0|2,0,0]=4 987 B13R1.8934 CCCCCC1(C)OC1C(=O)OC Amb32699132 [0,1,0,1,0,0|1,0,1]=4 988 B13R1.14 COC(=O)C#CC1CCC(C)CC1 Amb28422476 [0,1,0,1,0,0|0,0,0]=2 989 B13R1.14 COC(=O)C#CC1CCN(C)CC1 Amb33168842 [0,1,0,1,0,0|1,0,0]=3 990 B13R1.14 COC(=O)COC1CCC(C)CC1 Amb9206370 [0,1,0,1,0,0|1,0,1]=4 991 B13R1.14 COC(=O)COC1CCC(N)CC1 Amb33726859 [0,1,0,1,0,0|1,0,1]=4 992 B13R1.14 COC(=O)CO[C@H]1CC[C@H](N)CC1 Amb33804603 [0,1,0,1,0,0|1,0,1]=4 993 B13R1.14 COC(=O)NCC1CCC(N)CC1 Amb26868590 [0,1,0,1,0,0|1,0,1]=4 994 B13R1.14 COC(=O)NCC1CCC(N)CC1 Amb32663346 [0,1,0,1,0,0|1,0,1]=4 995 B13R1.14 COC(=O)\C=C\C1CCC(C)CC1 Amb27608983 [0,1,0,1,0,0|0,0,2]=4 996 B13R1.40 COC(=O)CN1CCC[C@@H](N)[C@H]1C Amb27187010 [0,1,0,1,0,0|1,0,1]=4 997 B13R1.40 COC(=O)NC1CCCC(C)C1C Amb28366313 [0,1,0,1,0,0|1,0,1]=4 998 B13R1.1869 COC(=O)\C=C1/CCCC(C)CC1 Amb33504063 [0,1,0,1,0,0|0,0,2]=4 999 B13R1.1869 COC(=O)\C=C1\CCCC(C)CC1 Amb28042856 [0,1,0,1,0,0|0,0,2]=4 1000 B13R1.3803 O=C1CCCCCC(O)CCCO1 Amb28205496 [0,1,0,1,0,0|0,0,2]=4 1001 B13R1.598 COC(=O)C#CC1CCCC1(C)C Amb25044692 [0,1,0,1,0,0|0,0,0]=2 1002 B13R1.598 COC(=O)C#CC1CCCS1(=O)=O Amb30008453 [0,1,0,1,0,0|2,0,0]=4 1003 B13R1.598 COC(=O)NCC1CCCC1(C)C Amb27868862 [0,1,0,1,0,0|1,0,1]=4 1004 B13R1.1708 COC(=O)C#CC1CC1CC(C)C Amb28069262 [0,1,0,1,0,0|0,0,0]=2 1005 B13R1.2878 COC(=O)CC1CCCCC1(C)C Amb28050958 [0,1,0,1,0,0|0,0,2]=4 1006 B13R1.2878 COC(=O)\C=C1\CCCCC1(C)C Amb26037829 [0,1,0,1,0,0|0,0,2]=4 1007 B13R1.91 CCC1CCCC\C1=C/C(=O)OC Amb27803102 [0,1,0,1,0,0|0,0,2]=4 1008 B13R1.91 CCC1CCCC\C1=C\C(=O)OC Amb33468675 [0,1,0,1,0,0|0,0,2]=4 1009 B13R1.91 COC(=O)\C=C1\CCCCC1OC Amb33472183 [0,1,0,1,0,0|0,0,2]=4 1010 B13R1.382 CCCC1CCC=CN1C(=O)OC Amb24060025 [0,1,0,1,0,0|0,0,2]=4 1011 B13R1.536 COC(=O)C#CCCC1CCCO1 Amb27180343 [0,1,0,1,0,0|0,0,0]=2 1012 B13R1.611 CCN1CCCCCC1C(=O)OC Amb27823899 [0,1,0,1,0,0|0,0,2]=4 1013 B13R1.611 CNC1CCCCCC1C(=O)OC Amb28282320 [0,1,0,1,0,0|0,0,2]=4 1014 B13R1.611 COC(=O)N1CCCCCC1CO Amb27415029 [0,1,0,1,0,0|1,0,1]=4 1015 B13R1.613 CCC1NCCC1C#CC(=O)OC Amb33168907 [0,1,0,1,0,0|0,0,0]=2 1016 B13R1.107 CC[C@@H]1[C@@H](C(=O)OC)OCC[C@H]1Cl Amb27849716 [0,1,0,1,0,0|1,0,1]=4 1017 B13R1.107 CC[C@@H]1[C@@H](Cl)CCN[C@@H]1C(=O)OC Amb28133436 [0,1,0,1,0,0|1,0,1]=4 1018 B13R1.107 CC[C@H]1[C@@H](Cl)CCO[C@@H]1C(=O)OC Amb28287724 [0,1,0,1,0,0|1,0,1]=4 1019 B13R1.1690 COC(=O)C1CCCC(N)CCC1 Amb33347308 [0,1,0,1,0,0|0,0,2]=4 1020 B13R1.1690 COC(=O)C1CCCC(N)CCC1 Amb35752764 [0,1,0,1,0,0|0,0,2]=4 1021 B13R1.2679 COC(=O)CN1CCC(O)CC1C Amb27598446 [0,1,0,1,0,0|1,0,1]=4 1022 B13R1.2679 COC(=O)CN1CC[C@H](C)C[C@@H]1C Amb28282273 [0,1,0,1,0,0|1,0,1]=4 1023 B13R1.2679 COC(=O)\C=C1\CCC(C)CC1C Amb27241884 [0,1,0,1,0,0|0,0,2]=4 1024 B13R2.3729 O=C1NC2CCCCCC2CO1 Amb27832446 [0,0,0,2,0,0|1,0,1]=4 1025 B13R2.5037 O=C1NCC2(CCCCC2)CO1 Amb27234448 [0,0,0,2,0,0|1,0,1]=4 1026 B13R2.5037 O=C1OCC2(CCCCC2)CO1 Amb28344131 [0,0,0,2,0,0|1,0,1]=4 1027 B13R2.10 O=C1NC(C2CCCCC2)CO1 Amb24422007 [0,0,0,2,0,0|1,0,1]=4 1028 B13R2.10 O=C1N[C@H](C2CCCCC2)CO1 Amb28130263 [0,0,0,2,0,0|1,0,1]=4 1029 B13R2.142 O=C1NC(CC2CCCC2)CO1 Amb24600592 [0,0,0,2,0,0|1,0,1]=4 1030 B13R2.3672 O=C1OCC2=C1CCCCCC2 Amb28255592 [0,0,0,2,0,0|0,0,2]=4 1031 B13R2.4688 O=C1N[C@H]2CCCCCC[C@H]2O1 Amb27201637 [0,0,0,2,0,0|1,0,1]=4 1032 B13R2.5023 CC1CCCCC12COC(=O)N2 Amb28141676 [0,0,0,2,0,0|1,0,1]=4 1033 B13R2.528 COC(=O)C1OC12CCCCC2 Amb2609160 [0,0,0,2,0,0|1,0,1]=4 1034 B13R2.1106 COC(=O)CN1C2CCC1CC2 Amb28282292 [0,0,0,2,0,0|1,0,1]=4 1035 B13R2.1115 COC(=O)C#CC12CCCC1C2 Amb35735662 [0,0,0,2,0,0|0,0,0]=2 1036 B13R2.1115 COC(=O)C#CC12COCC1C2 Amb35592946 [0,0,0,2,0,0|1,0,0]=3 1037 B13R2.1115 COC(=O)NCC12CCCC1C2 Amb30010132 [0,0,0,2,0,0|1,0,1]=4 1038 B13R2.1125 COC(=O)C#CC1C2CCCC12 Amb27405642 [0,0,0,2,0,0|0,0,0]=2 1039 B13R2.1132 COC(=O)C#CC1CC2CC2C1 Amb27474369 [0,0,0,2,0,0|0,0,0]=2 1040 B13R2.1132 COC(=O)C#C[C@@H]1C[C@@H]2C[C@@H]2C1 Amb35624935 [0,0,0,2,0,0|0,0,0]=2 1041 B13R2.1132 COC(=O)NCC1CC2CC2C1 Amb35599160 [0,0,0,2,0,0|1,0,1]=4 1042 B13R2.1132 COC(=O)\C=C\C1CC2CC2C1 Amb35663506 [0,0,0,2,0,0|0,0,2]=4 1043 B13R2.1152 COC(=O)C1CC2CCCC1C2 Amb3428663 [0,0,0,2,0,0|0,0,2]=4 1044 B13R2.1153 COC(=O)C1NC2CCC1CC2 Amb27814643 [0,0,0,2,0,0|1,0,1]=4 1045 B13R2.1153 COC(=O)N1OC2CCC1CC2 Amb24627354 [0,0,0,2,0,0|2,0,0]=4 1046 B13R2.1153 COC(=O)[C@H]1NC2CCC1CC2 Amb33745893 [0,0,0,2,0,0|1,0,1]=4 1047 B13R2.1084 COC(=O)[C@@]12CC[C@@H]1CCCN2 Amb33338977 [0,0,0,2,0,0|1,0,1]=4 1048 B13R2.1084 COC(=O)[C@@]12CC[C@@H]1CCCN2 Amb33338978 [0,0,0,2,0,0|1,0,1]=4 1049 B13R2.1100 COC(=O)N1[C@H]2CCC[C@@H]1CC2 Amb27227851 [0,0,0,2,0,0|1,0,1]=4 1050 B13R2.1095 COC(=O)C1CCC2CCCN21 Amb27389497 [0,0,0,2,0,0|1,0,1]=4 1051 B13R2.1095 COC(=O)C1NCC2CCCC21 Amb26078854 [0,0,0,2,0,0|1,0,1]=4 1052 B13R2.1095 COC(=O)C1NCC2CCCC21 Amb28600266 [0,0,0,2,0,0|1,0,1]=4 1053 B13R2.1095 COC(=O)C1OCC2CCCC21 Amb27220105 [0,0,0,2,0,0|1,0,1]=4 1054 B13R2.1095 COC(=O)N1CCC2CCCC21 Amb27607817 [0,0,0,2,0,0|1,0,1]=4 1055 B13R2.1095 COC(=O)N1CC[C@H]2CCC[C@H]21 Amb25943728 [0,0,0,2,0,0|1,0,1]=4 1056 B13R2.1095 COC(=O)[C@@H]1NC[C@@H]2CCC[C@@H]21 Amb32757467 [0,0,0,2,0,0|1,0,1]=4 1057 B13R2.1095 COC(=O)[C@@H]1NC[C@@H]2CCC[C@@H]21 Amb33621068 [0,0,0,2,0,0|1,0,1]=4 1058 B13R2.1095 COC(=O)[C@@H]1NC[C@H]2CCC[C@H]21 Amb33621076 [0,0,0,2,0,0|1,0,1]=4 1059 B13R2.1095 COC(=O)[C@@H]1NC[C@H]2CCC[C@H]21 Amb33737594 [0,0,0,2,0,0|1,0,1]=4 1060 B13R2.2400 COC(=O)\C=C1\CCCC12CC2 Amb33492956 [0,0,0,2,0,0|0,0,2]=4 1061 B13R2.6859 COC(=O)CC1CC2CCC1C2 Amb9241824 [0,0,0,2,0,0|0,0,2]=4 1062 B13R2.6859 COC(=O)CC1C[C@@H]2CC[C@H]1C2 Amb27868448 [0,0,0,2,0,0|0,0,2]=4 1063 B13R2.6859 COC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2 Amb27197932 [0,0,0,2,0,0|1,0,1]=4 1064 B13R2.6859 COC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 Amb28079106 [0,0,0,2,0,0|1,0,1]=4 1065 B13R2.6859 COC(=O)\C=C1/CC2CCC1C2 Amb32943320 [0,0,0,2,0,0|0,0,2]=4 1066 B13R2.6859 COC(=O)\C=C1\CC2CCC1C2 Amb28127060 [0,0,0,2,0,0|0,0,2]=4 1067 B13R2.5685 COC(=O)CN1CCCC2CC21 Amb28281687 [0,0,0,2,0,0|1,0,1]=4 1068 B13R2.5685 COC(=O)CN1CCC[C@@H]2C[C@@H]21 Amb27809968 [0,0,0,2,0,0|1,0,1]=4 1069 B13R2.5685 COC(=O)NC1CCC[C@H]2C[C@@H]12 Amb28320167 [0,0,0,2,0,0|1,0,1]=4 1070 B13R2.7994 COC(=O)C#CC1CC1C2CC2 Amb35598305 [0,0,0,2,0,0|0,0,0]=2 1071 B13R2.15218 COC(=O)C#CC1CC12CCC2 Amb33168824 [0,0,0,2,0,0|0,0,0]=2 1072 B13R2.163 O=C1NCC[C@@H]2CCCC[C@H]2O1 Amb32992735 [0,0,0,2,0,0|1,0,1]=4 1073 B13R2.1079 COC(=O)C1NCCC1C2CC2 Amb26033536 [0,0,0,2,0,0|1,0,1]=4 1074 B13R2.1079 COC(=O)[C@H]1NCC[C@@H]1C2CC2 Amb28058337 [0,0,0,2,0,0|1,0,1]=4 1075 B13R2.533 COC(=O)C1NCC12CCCC2 Amb28921047 [0,0,0,2,0,0|1,0,1]=4 1076 B13R2.533 COC(=O)C1NCC12CCCC2 Amb32667996 [0,0,0,2,0,0|1,0,1]=4 1077 B13R2.1169 COC(=O)C1NCC12CCC2C Amb32669389 [0,0,0,2,0,0|1,0,1]=4 1078 B13R2.1194 COC(=O)NC12CCCCC1C2 Amb35723904 [0,0,0,2,0,0|1,0,1]=4 1079 B13R2.531 COC(=O)C1CC2CCCC2N1 Amb26898453 [0,0,0,2,0,0|1,0,1]=4 1080 B13R2.531 COC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 Amb26530987 [0,0,0,2,0,0|1,0,1]=4 1081 B13R2.531 COC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 Amb33457729 [0,0,0,2,0,0|1,0,1]=4 1082 B13R2.531 COC(=O)[C@H]1C[C@H]2CCC[C@H]2N1 Amb26445726 [0,0,0,2,0,0|1,0,1]=4 1083 B13R2.1077 COC(=O)C1OC12CCCC2C Amb27622694 [0,0,0,2,0,0|1,0,1]=4 1084 B13R2.1217 COC(=O)CC1CCC2CC2C1 Amb30019129 [0,0,0,2,0,0|0,0,2]=4 1085 B13R2.1217 COC(=O)CN1CCC2CC2C1 Amb30006750 [0,0,0,2,0,0|1,0,1]=4 1086 B13R2.1217 COC(=O)NC1CCC2CC2C1 Amb35714814 [0,0,0,2,0,0|1,0,1]=4 1087 B13R2.1196 COC(=O)CN1CC2CCC2C1 Amb35591412 [0,0,0,2,0,0|1,0,1]=4 1088 B13R2.15148 COC(=O)C1C2CCCCC21C Amb26517470 [0,0,0,2,0,0|0,0,2]=4