0 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,0,0,0,0,0|0,0,2]=2 1 B13R0.54 C=CCCCCCCCCOC(C)=O Amb10563791 [0,0,0,0,0,0|2,0,2]=4 2 B13R0.54 CC(C)CCCCCCCCCCO Amb22055767 [0,0,0,0,0,0|3,0,1]=4 3 B13R0.54 CCCCCC#CC#CCCC(=O)O Amb2721435 [0,0,0,0,0,0|0,0,4]=4 4 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [0,0,0,0,0,0|1,0,0]=1 5 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,0,0,0,0,0|0,0,0]=0 6 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [0,0,0,0,0,0|0,0,1]=1 7 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [0,0,0,0,0,0|0,0,1]=1 8 B13R0.54 CCCCCCCCCCCC(C)Br Amb22734063 [0,0,0,0,0,0|2,0,1]=3 9 B13R0.54 CCCCCCCCCCCC(C)N Amb21953727 [0,0,0,0,0,0|2,0,1]=3 10 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [0,0,0,0,0,0|1,0,0]=1 11 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [0,0,0,0,0,0|1,1,0]=2 12 B13R0.54 CCCCCCCCCCCN(C)C Amb8516600 [0,0,0,0,0,0|3,0,0]=3 13 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,0,0,0,0,0|2,0,0]=2 14 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [0,0,0,0,0,0|0,0,2]=2 15 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [0,0,0,0,0,0|0,0,2]=2 16 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,0,0,0,0,0|1,0,0]=1 17 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,0,0,0,0,0|1,0,0]=1 18 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [0,0,0,0,0,0|2,0,0]=2 19 B13R0.54 CCCCOCCOCCOC(C)=O Amb8516522 [0,0,0,0,0,0|4,0,0]=4 20 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,0,0,0,0,0|1,0,0]=1 21 B13R0.54 CCCC\C=C/CCCCOC(C)=O Amb4025835 [0,0,0,0,0,0|2,0,2]=4 22 B13R0.54 CN(C)CCCCCCCCCCN Amb24117501 [0,0,0,0,0,0|4,0,0]=4 23 B13R0.54 COCCOCCOCCCC(=O)O Amb32667431 [0,0,0,0,0,0|3,0,0]=3 24 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,0,0,0,0,0|1,0,1]=2 25 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,0,0,0,0,0|2,0,0]=2 26 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,0,0,0,0,0|1,0,0]=1 27 B13R0.54 NCCOCCOCCOCC(=O)O Amb34193405 [0,0,0,0,0,0|4,0,0]=4 28 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,0,0,0,0,0|1,0,0]=1 29 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,0,0,0,0,0|1,0,0]=1 30 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,0,0,0,0,0|1,0,0]=1 31 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,0,0,0,0,0|1,0,0]=1 32 B13R0.54 O=C(O)COCCOCCOCCO Amb34912913 [0,0,0,0,0,0|4,0,0]=4 33 B13R0.54 [N-]=[N+]=NCCCCCCCCC(=O)O Amb34913620 [0,0,0,0,0,0|3,0,0]=3 34 B12R0.5 BrCCCCCCCCCCCBr Amb8514480 [1,0,0,0,0,0|2,0,1]=4 35 B12R0.5 C#CCCCCCCCCCCO Amb10602413 [1,0,0,0,0,0|0,0,3]=4 36 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [1,0,0,0,0,0|1,0,0]=2 37 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [1,0,0,0,0,0|2,0,0]=3 38 B12R0.5 C=CCNCCCCCCCCC Amb7761762 [1,0,0,0,0,0|2,0,0]=3 39 B12R0.5 CCCCCCCCCC#CCO Amb2609119 [1,0,0,0,0,0|0,0,3]=4 40 B12R0.5 CCCCCCCCCCCC#N Amb8384531 [1,0,0,0,0,0|1,0,1]=3 41 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [1,0,0,0,0,0|0,0,0]=1 42 B12R0.5 CCCCCCCCCCCCBr Amb6891945 [1,0,0,0,0,0|1,0,1]=3 43 B12R0.5 CCCCCCCCCCCCC Amb29471649 [1,0,0,0,0,0|1,0,1]=3 44 B12R0.5 CCCCCCCCCCCCC Amb8513362 [1,0,0,0,0,0|1,0,1]=3 45 B12R0.5 CCCCCCCCCCCCCl Amb4008392 [1,0,0,0,0,0|1,0,1]=3 46 B12R0.5 CCCCCCCCCCCCI Amb3940281 [1,0,0,0,0,0|1,0,1]=3 47 B12R0.5 CCCCCCCCCCCCN Amb3940463 [1,0,0,0,0,0|1,0,1]=3 48 B12R0.5 CCCCCCCCCCCCO Amb2721434 [1,0,0,0,0,0|0,0,1]=2 49 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [1,0,0,0,0,0|1,0,1]=3 50 B12R0.5 CCCCCCCCCCCNC Amb32676722 [1,0,0,0,0,0|2,0,0]=3 51 B12R0.5 CCCCCCCCCCCNC Amb9787074 [1,0,0,0,0,0|2,0,0]=3 52 B12R0.5 CCCCCCCCCCN=C=S Amb2686679 [1,0,0,0,0,0|1,1,1]=4 53 B12R0.5 CCCCCCCCCCN=[N+]=[N-] Amb17939439 [1,0,0,0,0,0|3,0,0]=4 54 B12R0.5 CCCCCCCCCNCCC Amb7794670 [1,0,0,0,0,0|2,0,1]=4 55 B12R0.5 CCCCCCCCCSCCN Amb7794936 [1,0,0,0,0,0|2,0,1]=4 56 B12R0.5 CCCCCCCCCSCCO Amb7968787 [1,0,0,0,0,0|1,0,1]=3 57 B12R0.5 CCCCCCCCNCCC#N Amb2689969 [1,0,0,0,0,0|2,0,1]=4 58 B12R0.5 CCCCCCCCNCCCN Amb19058864 [1,0,0,0,0,0|2,0,1]=4 59 B12R0.5 CCCCCCCCNCCNC Amb2691994 [1,0,0,0,0,0|3,0,0]=4 60 B12R0.5 CCCCCCCCOCCCN Amb13951369 [1,0,0,0,0,0|2,0,1]=4 61 B12R0.5 CCCCCCCCOCCCN Amb7764731 [1,0,0,0,0,0|2,0,1]=4 62 B12R0.5 CCCCCCCNCCCCC Amb7761456 [1,0,0,0,0,0|2,0,1]=4 63 B12R0.5 CCCCCCNCCCCCC Amb3938960 [1,0,0,0,0,0|2,0,1]=4 64 B12R0.5 CCCCCCOCCCCCC Amb9787554 [1,0,0,0,0,0|2,0,1]=4 65 B12R0.5 CCCCCCOCCOCCO Amb9787187 [1,0,0,0,0,0|2,0,1]=4 66 B12R0.5 CCCCCCSCCCCCC Amb8513185 [1,0,0,0,0,0|2,0,1]=4 67 B12R0.5 CCCC\C=C\CCCCCCO Amb33513191 [1,0,0,0,0,0|0,0,3]=4 68 B12R0.5 CCOCCCCCCCCCBr Amb33719481 [1,0,0,0,0,0|2,0,1]=4 69 B12R0.5 CCOCCCCCCCCCO Amb22233218 [1,0,0,0,0,0|1,0,1]=3 70 B12R0.5 NCCCCCCCCCCCN Amb16233911 [1,0,0,0,0,0|2,0,1]=4 71 B12R0.5 NCCCCCCCCCCCO Amb26304136 [1,0,0,0,0,0|1,0,1]=3 72 B12R0.5 NCCCCCCCCCCCO Amb30988059 [1,0,0,0,0,0|1,0,1]=3 73 B12R0.5 NCCCCCCCCCCCS Amb22336989 [1,0,0,0,0,0|1,1,1]=4 74 B12R0.5 OCCCCCCCCCCCBr Amb3372065 [1,0,0,0,0,0|1,0,1]=3 75 B12R0.5 OCCCCCCCCCCCO Amb15692712 [1,0,0,0,0,0|1,0,1]=3 76 B12R0.5 OCCCCCCCCCCCS Amb8396653 [1,0,0,0,0,0|1,0,1]=3 77 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [1,0,0,0,0,0|0,0,2]=3 78 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [1,0,0,0,0,0|2,0,0]=3 79 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [1,0,0,0,0,0|2,0,0]=3 80 B12R0.234 C=CCCCCCCCCC(=O)Cl Amb2721637 [1,0,0,0,0,0|1,0,2]=4 81 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [1,0,0,0,0,0|0,0,2]=3 82 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [1,0,0,0,0,0|0,0,2]=3 83 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [1,0,0,0,0,0|3,0,0]=4 84 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [1,0,0,0,0,0|1,0,1]=3 85 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [1,0,0,0,0,0|1,0,0]=2 86 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [1,0,0,0,0,0|0,0,0]=1 87 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [1,0,0,0,0,0|1,0,0]=2 88 B12R0.234 CCCCCCCCCCC(C)N Amb8869702 [1,0,0,0,0,0|2,0,1]=4 89 B12R0.234 CCCCCCCCCCN(C)C Amb9787202 [1,0,0,0,0,0|3,0,0]=4 90 B12R0.234 CCCCCCCCCOC(=S)[S-] Amb534232 [1,0,0,0,0,0|1,2,0]=4 91 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [1,0,0,0,0,0|2,0,0]=3 92 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [1,0,0,0,0,0|1,0,0]=2 93 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [1,0,0,0,0,0|0,0,2]=3 94 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [1,0,0,0,0,0|2,0,0]=3 95 B12R0.234 COCCOCCOCCC(=O)O Amb16184341 [1,0,0,0,0,0|3,0,0]=4 96 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [1,0,0,0,0,0|1,0,1]=3 97 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [1,0,0,0,0,0|1,0,0]=2 98 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [1,0,0,0,0,0|1,0,0]=2 99 B12R0.234 NCCOCCSCCCC(=O)O Amb17502011 [1,0,0,0,0,0|3,0,0]=4 100 B12R0.234 O=C(O)CCCCCCCC#CBr Amb32422815 [1,0,0,0,0,0|1,0,2]=4 101 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [1,0,0,0,0,0|1,0,0]=2 102 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [1,0,0,0,0,0|1,0,0]=2 103 B12R0.234 O=C(O)CCCCCCCN=C=S Amb33471542 [1,0,0,0,0,0|2,0,1]=4 104 B12R0.234 O=C(O)\C=C\CCCCCCCO Amb33757093 [1,0,0,0,0,0|1,0,2]=4 105 B12R0.234 O=C=NCCCCCCCC(=O)O Amb32665820 [1,0,0,0,0,0|2,0,1]=4 106 B12R0.234 [N-]=[N+]=NCCCCCCCC(=O)O Amb34932690 [1,0,0,0,0,0|3,0,0]=4 107 B14R0.2 CCCCCCCC(C)NCCC(C)O Amb33455972 [0,1,0,0,0,0|2,0,1]=4 108 B14R0.68 C=C(F)CCCCCCCCCC(=O)O Amb22641506 [0,1,0,0,0,0|0,0,2]=3 109 B14R0.68 CC(C)CCCCCCC\C=C/C(=O)O Amb22586579 [0,1,0,0,0,0|0,0,2]=3 110 B14R0.68 CC(O)CCCCCCCCCC(=O)[O-] Amb30988058 [0,1,0,0,0,0|0,0,1]=2 111 B14R0.68 O=C(O)CCCCCCCCCC(=O)O Amb10807546 [0,1,0,0,0,0|1,0,1]=3 112 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] Amb2686682 [0,1,0,0,0,0|2,0,1]=4 113 B14R0.88 CCCCCCCCOCCS(=O)(=O)Cl Amb32940092 [0,1,0,0,0,0|2,0,1]=4 114 B14R0.88 CCCCCCCOCCCS(=O)(=O)Cl Amb32939931 [0,1,0,0,0,0|2,0,1]=4 115 B14R0.88 CCCCCCOCCCCS(=O)(=O)Cl Amb32940417 [0,1,0,0,0,0|2,0,1]=4 116 B14R0.88 CCCCCOCCCCCS(=O)(=O)Cl Amb32939788 [0,1,0,0,0,0|2,0,1]=4 117 B14R0.88 CCCCOCCCCCCS(=O)(=O)Cl Amb32939875 [0,1,0,0,0,0|2,0,1]=4 118 B14R0.153 CCCCC(=O)NCCCCCC(=O)O Amb6243765 [0,1,0,0,0,0|1,0,1]=3 119 B14R0.231 CCCCCC(=O)CCCCCC(=O)O Amb6305237 [0,1,0,0,0,0|0,0,1]=2 120 B14R0.305 COC(=O)CCCCCCCCC(=O)O Amb6366515 [0,1,0,0,0,0|1,0,1]=3 121 B14R0.305 O=C(O)CCCCCCCCC(O)CO Amb9786104 [0,1,0,0,0,0|1,0,0]=2 122 B14R0.337 C#CC(O)CCCCCCCCCCC Amb22345519 [0,1,0,0,0,0|1,0,1]=3 123 B14R0.337 CCCCCCCCCCCC(=O)NN Amb6572508 [0,1,0,0,0,0|1,0,0]=2 124 B14R0.337 CCCCCCCCCCCC(=O)NO Amb31031031 [0,1,0,0,0,0|0,0,0]=1 125 B14R0.337 CCCCCCCCCCCC(=O)OC Amb4378331 [0,1,0,0,0,0|0,0,0]=1 126 B14R0.337 CCCCCCCCCCCC(Cl)CCl Amb9787197 [0,1,0,0,0,0|2,0,1]=4 127 B14R0.337 CCCCCCCCCCNC(=O)CCl Amb3366789 [0,1,0,0,0,0|2,0,0]=3 128 B14R0.337 CCCCCCCCCCOC(=O)CBr Amb1103529 [0,1,0,0,0,0|2,0,0]=3 129 B14R0.337 CCCCCCCCCCOC(=O)CC Amb9786156 [0,1,0,0,0,0|2,0,0]=3 130 B14R0.337 CCCCCCCCCCOC(=O)CCl Amb6618965 [0,1,0,0,0,0|2,0,0]=3 131 B14R0.337 COC(=O)CCCCCCCCCCBr Amb3354793 [0,1,0,0,0,0|1,0,0]=2 132 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [0,1,0,0,0,0|1,0,0]=2 133 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [0,1,0,0,0,0|1,0,0]=2 134 B14R0.340 CCCCCCCCCCC(Br)C(=O)O Amb8513066 [0,1,0,0,0,0|0,0,0]=1 135 B14R0.340 CCCCCCCCCCC(N)C(=O)O Amb21858489 [0,1,0,0,0,0|0,0,0]=1 136 B14R0.340 CCCCCCCCCCC(O)C(=O)O Amb3987639 [0,1,0,0,0,0|0,0,0]=1 137 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O Amb22745407 [0,1,0,0,0,0|0,0,0]=1 138 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O Amb33836077 [0,1,0,0,0,0|0,0,0]=1 139 B14R0.344 CCCCCCCCC(O)C#CC(=O)O Amb17779806 [0,1,0,0,0,0|0,0,2]=3 140 B14R0.344 CCCCCCCCC(O)CCC(=O)O Amb33313442 [0,1,0,0,0,0|0,0,0]=1 141 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] Amb32652042 [0,1,0,0,0,0|0,0,1]=2 142 B14R0.344 CCCCCCCCS(=O)CCC(=O)O Amb1038995 [0,1,0,0,0,0|1,0,0]=2 143 B14R0.391 CCCCCCCCCC(C)CC(=O)O Amb28963737 [0,1,0,0,0,0|0,0,0]=1 144 B14R0.391 CCCCCCCCCC(O)CC(=O)O Amb21928747 [0,1,0,0,0,0|0,0,0]=1 145 B14R0.391 CCCCCCCCNC(=O)CC(=O)O Amb28905868 [0,1,0,0,0,0|1,0,1]=3 146 B14R0.391 CCCCCCCCOC(=O)CC(C)=O Amb9787149 [0,1,0,0,0,0|2,0,1]=4 147 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [0,1,0,0,0,0|0,0,1]=2 148 B14R0.394 C=CCCCCCCCCCCC(=O)O Amb6297458 [0,1,0,0,0,0|0,0,1]=2 149 B14R0.394 CCCCCCCCCCCCB(O)O Amb13890365 [0,1,0,0,0,0|1,0,1]=3 150 B14R0.394 CCCCCCCCCCCCC(=O)O Amb8513363 [0,1,0,0,0,0|0,0,0]=1 151 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [0,1,0,0,0,0|1,0,0]=2 152 B14R0.394 CCCCCCCCCCCCC(C)O Amb8513348 [0,1,0,0,0,0|1,0,1]=3 153 B14R0.394 CCCCCCCCCCCCN(C)C Amb8395263 [0,1,0,0,0,0|3,0,0]=4 154 B14R0.394 CCCCCCCCCCCOC(C)=O Amb6366704 [0,1,0,0,0,0|1,0,0]=2 155 B14R0.394 CCCCCCCCCNCCN(C)C Amb7761766 [0,1,0,0,0,0|3,0,0]=4 156 B14R0.394 CCCCCCCCSCCSC(=N)N Amb1085938 [0,1,0,0,0,0|3,0,0]=4 157 B14R0.394 CCCCCCCCSCCSC(=N)N Amb22283870 [0,1,0,0,0,0|3,0,0]=4 158 B14R0.394 COCCOCCOCCOCC(=O)O Amb31291459 [0,1,0,0,0,0|3,0,0]=4 159 B14R0.394 C\C=C\CCCCCCCCOC(C)=O Amb22641577 [0,1,0,0,0,0|1,0,2]=4 160 B14R0.394 N#CCCCCCCCCCCC(=O)O Amb4014736 [0,1,0,0,0,0|0,0,1]=2 161 B14R0.394 NCCCCCCCCCCCC(=O)O Amb3940462 [0,1,0,0,0,0|0,0,0]=1 162 B14R0.394 NCCOCCOCCOCCC(=O)O Amb22371716 [0,1,0,0,0,0|3,0,0]=4 163 B14R0.394 O=C(O)CCCCCCCCCCCBr Amb3940328 [0,1,0,0,0,0|0,0,0]=1 164 B14R0.394 O=C(O)CCCCCCCCCCCO Amb3940329 [0,1,0,0,0,0|0,0,0]=1 165 B14R0.394 O=C(O)CCOCCOCCOCCBr Amb24057426 [0,1,0,0,0,0|3,0,0]=4 166 B14R0.394 O=C(O)CCOCCOCCOCCO Amb24057824 [0,1,0,0,0,0|3,0,0]=4 167 B14R0.394 O=C(O)COCCOCCCCCCCl Amb33719366 [0,1,0,0,0,0|2,0,0]=3 168 B14R0.394 [N-]=[N+]=NCCCCCCCCCC(=O)O Amb32668376 [0,1,0,0,0,0|2,0,0]=3 169 B14R1.26 CCCCCCCC1CCCC(=O)O1 Amb767091 [0,0,0,1,0,0|0,0,0]=1 170 B14R1.26 N#CCCCCCC1CCCC(=O)C1 Amb6302010 [0,0,0,1,0,0|2,0,1]=4 171 B14R1.96 CCC1CCCCC1NCCC(C)O Amb33455979 [0,0,0,1,0,0|2,0,1]=4 172 B14R1.96 CCC1CCCCN1CCCC(=O)Cl Amb17143700 [0,0,0,1,0,0|2,0,0]=3 173 B14R1.96 CCC1CCCCN1CCCC(=O)O Amb5775446 [0,0,0,1,0,0|1,0,0]=2 174 B14R1.96 CCC1CCCCN1CCCC(N)=O Amb17143194 [0,0,0,1,0,0|2,0,0]=3 175 B14R1.159 CC1CC=CCC1COCCC(=O)O Amb9208700 [0,0,0,1,0,0|1,0,2]=4 176 B14R1.269 CCCC1CCCCCC1NC(C)=O Amb2227902 [0,0,0,1,0,0|2,0,0]=3 177 B14R1.269 CCC[C@H]1CCCCC[C@@H]1NC(C)=O Amb27783350 [0,0,0,1,0,0|2,0,0]=3 178 B14R1.275 CCCC1CCCCCCCC(=O)N1 Amb28408987 [0,0,0,1,0,0|1,0,0]=2 179 B14R1.329 CC1CCCCCC1N\C=C\C(=O)O Amb27474191 [0,0,0,1,0,0|1,0,2]=4 180 B14R1.329 CC1CCCCC\C1=N/OCC(=O)O Amb35718079 [0,0,0,1,0,0|2,0,1]=4 181 B14R1.333 O=C(O)CCC1CCCCCCC1=O Amb27751434 [0,0,0,1,0,0|1,0,1]=3 182 B14R1.422 CC(=O)NCCNCC1CCCCC1 Amb6732520 [0,0,0,1,0,0|3,0,0]=4 183 B14R1.422 O=C(O)CCCCCC1CCCCC1 Amb22230076 [0,0,0,1,0,0|0,0,0]=1 184 B14R1.422 O=C(O)CCCCCC1CCCCN1 Amb32430378 [0,0,0,1,0,0|1,0,0]=2 185 B14R1.422 O=C(O)CCCCCN1CCOCC1 Amb33079998 [0,0,0,1,0,0|2,0,0]=3 186 B14R1.422 O=C(O)CCCCOC1CCCCC1 Amb9207782 [0,0,0,1,0,0|1,0,0]=2 187 B14R1.422 O=C(O)CCCNCC1CCCCC1 Amb6274295 [0,0,0,1,0,0|1,0,0]=2 188 B14R1.422 O=C(O)CCCSCC1CCCNC1 Amb17503127 [0,0,0,1,0,0|2,0,0]=3 189 B14R1.422 O=C(O)CCCSCC1CCNCC1 Amb17503028 [0,0,0,1,0,0|2,0,0]=3 190 B14R1.422 O=C(O)CCNCCC1=CCCCC1 Amb17309052 [0,0,0,1,0,0|1,0,2]=4 191 B14R1.422 O=C(O)CCNCCN1CCCCC1 Amb9326457 [0,0,0,1,0,0|2,0,0]=3 192 B14R1.422 O=C(O)CCNCCN1CCOCC1 Amb7755734 [0,0,0,1,0,0|3,0,0]=4 193 B14R1.422 O=C(O)CCSCCN1CCCCC1 Amb6745725 [0,0,0,1,0,0|2,0,0]=3 194 B14R1.422 O=C(O)CCSCCN1CCOCC1 Amb6673252 [0,0,0,1,0,0|3,0,0]=4 195 B14R1.422 O=C(O)CNCCCN1CCCCC1 Amb20152206 [0,0,0,1,0,0|2,0,0]=3 196 B14R1.422 O=C(O)CNCCCN1CCOCC1 Amb9001415 [0,0,0,1,0,0|3,0,0]=4 197 B14R1.427 O=C(O)CCNCCCN1CCCC1 Amb19090342 [0,0,0,1,0,0|2,0,0]=3 198 B14R1.482 O=C(O)CCN1CCCCC1CCO Amb6637635 [0,0,0,1,0,0|2,0,0]=3 199 B14R1.651 C\C=C\CN1CCCCCC1C(=O)O Amb27984359 [0,0,0,1,0,0|1,0,2]=4 200 B14R1.651 N#CCCN1CCCCCC1C(=O)O Amb28283072 [0,0,0,1,0,0|2,0,1]=4 201 B14R1.786 CC#CCN1CCCCC1CC(=O)O Amb19063514 [0,0,0,1,0,0|1,0,2]=4 202 B14R1.846 CCC1CCCCCN1\C=C\C(=O)O Amb27228556 [0,0,0,1,0,0|1,0,2]=4 203 B14R1.903 CC#CCCN1CCCCC1C(=O)O Amb27435480 [0,0,0,1,0,0|1,0,2]=4 204 B14R1.1454 CC(O)CCNC1CCCCCCC1 Amb33455985 [0,0,0,1,0,0|2,0,1]=4 205 B14R1.1454 O=C(O)CNN=C1CCCCCCC1 Amb28054170 [0,0,0,1,0,0|2,0,1]=4 206 B14R1.1454 O=C(O)CON=C1CCCCCCC1 Amb27603762 [0,0,0,1,0,0|2,0,1]=4 207 B14R1.1454 O=C(O)\C=C\CN1CCCCCCC1 Amb18296450 [0,0,0,1,0,0|1,0,2]=4 208 B14R1.3447 NCCCCCCN1CCC1C(N)=O Amb33251009 [0,0,0,1,0,0|3,0,0]=4 209 B14R1.4408 O=C1C=CCCCCCCCCCC1 Amb25793577 [0,0,0,1,0,0|1,0,1]=3 210 B14R1.4408 O=C1C=CCCCCCCCCCN1 Amb24404897 [0,0,0,1,0,0|1,0,2]=4 211 B14R1.4408 O=C1CCCCC=CCCCCCN1 Amb27841100 [0,0,0,1,0,0|1,0,2]=4 212 B14R1.4408 O=C1CCCCCCCCC=CCN1 Amb27859494 [0,0,0,1,0,0|1,0,2]=4 213 B14R1.4408 O=C1CCCCCCCCCCCN1 Amb9825846 [0,0,0,1,0,0|1,0,0]=2 214 B14R1.4408 O=C1CCCCCCCCCCCO1 Amb9825923 [0,0,0,1,0,0|0,0,0]=1 215 B14R1.4408 O=C1CCCCCCCCNCCO1 Amb28187014 [0,0,0,1,0,0|1,0,0]=2 216 B14R1.4408 O=C1CCCCCCCNCCCO1 Amb27746900 [0,0,0,1,0,0|1,0,0]=2 217 B14R1.4408 O=C1NCCCCCCCCCCN1 Amb28130432 [0,0,0,1,0,0|2,0,0]=3 218 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,0,0,1,0,0|1,0,0]=2 219 B14R1.4408 OC1CCCCCCCCCCCC1 Amb27598545 [0,0,0,1,0,0|1,0,1]=3 220 B14R1.4408 SC1=NCCCCCCCCCCN1 Amb28074045 [0,0,0,1,0,0|2,1,0]=4 221 B14R1.4728 CCCCCCCCC1CC1C(=O)O Amb1033024 [0,0,0,1,0,0|0,0,0]=1 222 B14R1.4808 C=C1CCCCCCCCC1C(=O)O Amb27592138 [0,0,0,1,0,0|0,0,2]=3 223 B14R1.4961 O=C(O)CN1CCCCCCCC1=O Amb35644114 [0,0,0,1,0,0|2,0,1]=4 224 B14R1.5254 C=CCN1CCCCCCC1C(=O)O Amb28142725 [0,0,0,1,0,0|1,0,2]=4 225 B14R1.5254 CCNC1CCCCCCC1S(C)=O Amb28398389 [0,0,0,1,0,0|3,0,0]=4 226 B14R1.5254 N#CCN1CCCCCCC1C(=O)O Amb28042577 [0,0,0,1,0,0|2,0,1]=4 227 B14R1.6335 NC(=O)NNC1CCCCCCCC1 Amb27386827 [0,0,0,1,0,0|3,0,0]=4 228 B14R1.6343 O=C(O)CCCCN1CCCNCC1 Amb17479032 [0,0,0,1,0,0|2,0,0]=3 229 B14R1.6343 O=C(O)CNCCN1CCCCCC1 Amb20573254 [0,0,0,1,0,0|2,0,0]=3 230 B14R1.6343 O=C(O)\C=C\NCC1CCCCCC1 Amb28193209 [0,0,0,1,0,0|1,0,2]=4 231 B14R1.6388 O=C(O)CCCCCCCCC1CC1 Amb32645995 [0,0,0,1,0,0|0,0,0]=1 232 B14R1.6414 NC(=O)C1CCCCCCCCCC1 Amb27984828 [0,0,0,1,0,0|1,0,0]=2 233 B14R1.6414 O=C(O)C1C=CCCCCCCCC1 Amb27231809 [0,0,0,1,0,0|0,0,2]=3 234 B14R1.6414 O=C(O)C1CCCCCCCCCC1 Amb4034592 [0,0,0,1,0,0|0,0,0]=1 235 B14R1.6414 O=C(O)C1CCCCCCCCCN1 Amb27983623 [0,0,0,1,0,0|1,0,0]=2 236 B14R1.6444 O=C(O)C=C1CCCCCCCCC1 Amb28118972 [0,0,0,1,0,0|0,0,2]=3 237 B11R0.3 BrCCCCCCCCCCBr Amb2721556 [2,0,0,0,0,0|2,0,0]=4 238 B11R0.3 C#CCCCCCCCCCC Amb2721432 [2,0,0,0,0,0|0,0,2]=4 239 B11R0.3 C=CCCCCCCCCC=O Amb8513533 [2,0,0,0,0,0|0,0,2]=4 240 B11R0.3 C=CCCCCCCCCCBr Amb2691196 [2,0,0,0,0,0|1,0,1]=4 241 B11R0.3 C=CCCCCCCCCCC Amb3940486 [2,0,0,0,0,0|0,0,1]=3 242 B11R0.3 C=CCCCCCCCCCCl Amb2721562 [2,0,0,0,0,0|1,0,1]=4 243 B11R0.3 C=CCCCCCCCCCN Amb2721533 [2,0,0,0,0,0|1,0,1]=4 244 B11R0.3 C=CCCCCCCCCCO Amb2721673 [2,0,0,0,0,0|0,0,2]=4 245 B11R0.3 CCCCCCCCCCCBr Amb8514664 [2,0,0,0,0,0|1,0,0]=3 246 B11R0.3 CCCCCCCCCCCC Amb8513157 [2,0,0,0,0,0|0,0,1]=3 247 B11R0.3 CCCCCCCCCCCCl Amb9787117 [2,0,0,0,0,0|1,0,0]=3 248 B11R0.3 CCCCCCCCCCCN Amb3941511 [2,0,0,0,0,0|1,0,0]=3 249 B11R0.3 CCCCCCCCCCCO Amb6646062 [2,0,0,0,0,0|0,0,0]=2 250 B11R0.3 CCCCCCCCCCNC Amb33934687 [2,0,0,0,0,0|1,0,1]=4 251 B11R0.3 CCCCCCCCCCNC Amb9787067 [2,0,0,0,0,0|1,0,1]=4 252 B11R0.3 CCCCCCCCCNCC Amb7761767 [2,0,0,0,0,0|1,0,1]=4 253 B11R0.3 CCCCCCCCNCCN Amb18794624 [2,0,0,0,0,0|2,0,0]=4 254 B11R0.3 CCCCCCCCNCCN Amb22358941 [2,0,0,0,0,0|2,0,0]=4 255 B11R0.3 CCCCCCCCNCCO Amb7757629 [2,0,0,0,0,0|1,0,0]=3 256 B11R0.3 CCCCCCCCOCCN Amb7790956 [2,0,0,0,0,0|2,0,0]=4 257 B11R0.3 CCCCCCCCOCCO Amb9787110 [2,0,0,0,0,0|1,0,0]=3 258 B11R0.3 CCCCCCCCSCCN Amb7794933 [2,0,0,0,0,0|2,0,0]=4 259 B11R0.3 CCCCCCCCSCCO Amb33531593 [2,0,0,0,0,0|1,0,0]=3 260 B11R0.3 CCCCCCCCSCCS Amb9787630 [2,0,0,0,0,0|1,1,0]=4 261 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [2,0,0,0,0,0|0,0,2]=4 262 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [2,0,0,0,0,0|0,0,2]=4 263 B11R0.3 CCCCCCCNCCCC Amb4313708 [2,0,0,0,0,0|1,0,1]=4 264 B11R0.3 CCCCCCCNCCCN Amb18794637 [2,0,0,0,0,0|2,0,0]=4 265 B11R0.3 CCCCCCCNCCCO Amb4304117 [2,0,0,0,0,0|1,0,0]=3 266 B11R0.3 CCCCCCNCCCCC Amb6656070 [2,0,0,0,0,0|1,0,1]=4 267 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [2,0,0,0,0,0|0,0,2]=4 268 B11R0.3 ClCCCCCCCCCCCl Amb8514864 [2,0,0,0,0,0|2,0,0]=4 269 B11R0.3 FCCCCCCCCCCF Amb33756851 [2,0,0,0,0,0|2,0,0]=4 270 B11R0.3 ICCCCCCCCCCI Amb10071532 [2,0,0,0,0,0|2,0,0]=4 271 B11R0.3 NCCCCCCCCCCN Amb33446968 [2,0,0,0,0,0|2,0,0]=4 272 B11R0.3 NCCCCCCCCCCN Amb798005 [2,0,0,0,0,0|2,0,0]=4 273 B11R0.3 NCCCCCCCCCCO Amb17607975 [2,0,0,0,0,0|1,0,0]=3 274 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [2,0,0,0,0,0|1,0,0]=3 275 B11R0.3 OCCCCCCCCCCBr Amb2694963 [2,0,0,0,0,0|1,0,0]=3 276 B11R0.3 OCCCCCCCCCCCl Amb10844747 [2,0,0,0,0,0|1,0,0]=3 277 B11R0.3 OCCCCCCCCCCO Amb2721538 [2,0,0,0,0,0|1,0,0]=3 278 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [2,0,0,0,0,0|0,0,2]=4 279 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [2,0,0,0,0,0|2,0,0]=4 280 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [2,0,0,0,0,0|2,0,0]=4 281 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [2,0,0,0,0,0|2,0,0]=4 282 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [2,0,0,0,0,0|0,0,2]=4 283 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [2,0,0,0,0,0|1,0,0]=3 284 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [2,0,0,0,0,0|0,0,0]=2 285 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [2,0,0,0,0,0|1,0,0]=3 286 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [2,0,0,0,0,0|1,0,0]=3 287 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [2,0,0,0,0,0|1,1,0]=4 288 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [2,0,0,0,0,0|2,0,0]=4 289 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [2,0,0,0,0,0|1,0,1]=4 290 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [2,0,0,0,0,0|2,0,0]=4 291 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [2,0,0,0,0,0|2,0,0]=4 292 B11R0.148 CCCCCCCCOC(=O)Cl Amb8515453 [2,0,0,0,0,0|2,0,0]=4 293 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [2,0,0,0,0,0|2,0,0]=4 294 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [2,0,0,0,0,0|1,0,0]=3 295 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [2,0,0,0,0,0|1,0,0]=3 296 B11R0.148 CCCCCCC\C=C\C(=O)O Amb6336657 [2,0,0,0,0,0|0,0,2]=4 297 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [2,0,0,0,0,0|1,0,0]=3 298 B11R0.148 CCCCC\C=C\CCC(=O)O Amb24079160 [2,0,0,0,0,0|0,0,2]=4 299 B11R0.148 CCCCOCCOCC(=O)O Amb9204477 [2,0,0,0,0,0|2,0,0]=4 300 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [2,0,0,0,0,0|1,0,0]=3 301 B11R0.148 CCC\C=C\CCCCC(=O)O Amb24063196 [2,0,0,0,0,0|0,0,2]=4 302 B11R0.148 CCNCCOCCCC(=O)O Amb18110845 [2,0,0,0,0,0|2,0,0]=4 303 B11R0.148 CCOCCOCCCC(=O)O Amb6262117 [2,0,0,0,0,0|2,0,0]=4 304 B11R0.148 CNCCCNCCCC(=O)O Amb28963363 [2,0,0,0,0,0|2,0,0]=4 305 B11R0.148 CNCCCNCCCC(=O)O Amb33470189 [2,0,0,0,0,0|2,0,0]=4 306 B11R0.148 COCCOCCCCC(=O)O Amb9207792 [2,0,0,0,0,0|2,0,0]=4 307 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [2,0,0,0,0,0|2,0,0]=4 308 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [2,0,0,0,0,0|1,0,0]=3 309 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [2,0,0,0,0,0|1,0,0]=3 310 B13R0.2 CCCCCCCCCC(C)CC=O Amb33421993 [1,1,0,0,0,0|0,0,0]=2 311 B13R0.2 CCCCCCCCCC(C)CCO Amb33321507 [1,1,0,0,0,0|0,0,1]=3 312 B13R0.2 CCCCCCCCCC(O)CCO Amb24081769 [1,1,0,0,0,0|0,0,1]=3 313 B13R0.2 CCOC(=O)CCCCCCCC=O Amb30666661 [1,1,0,0,0,0|1,0,1]=4 314 B13R0.147 CCCCCCCCCCC(Br)CBr Amb9787291 [1,1,0,0,0,0|1,0,1]=4 315 B13R0.147 CCCCCCCCCCC(C)C=O Amb32671323 [1,1,0,0,0,0|0,0,0]=2 316 B13R0.147 CCCCCCCCCCC(C)CBr Amb30988003 [1,1,0,0,0,0|1,0,1]=4 317 B13R0.147 CCCCCCCCCCC(C)CO Amb30988002 [1,1,0,0,0,0|0,0,1]=3 318 B13R0.147 CCCCCCCCCCC(Cl)CCl Amb9787269 [1,1,0,0,0,0|1,0,1]=4 319 B13R0.147 CCCCCCCCCCC(O)CO Amb22002456 [1,1,0,0,0,0|0,0,1]=3 320 B13R0.147 CCCCCCCCOCC(O)CO Amb4458899 [1,1,0,0,0,0|1,0,1]=4 321 B13R0.147 COC(=O)CCCCCCCCC=O Amb9787740 [1,1,0,0,0,0|1,0,1]=4 322 B13R0.336 BrCCCCCCCCCCCCBr Amb8513538 [1,1,0,0,0,0|1,0,1]=4 323 B13R0.336 C=CCSCCCCCCCCCC Amb9787753 [1,1,0,0,0,0|1,0,0]=3 324 B13R0.336 CCCCCCCCCCCCCBr Amb16234183 [1,1,0,0,0,0|1,0,1]=4 325 B13R0.336 CCCCCCCCCCCCCC Amb8513726 [1,1,0,0,0,0|1,0,1]=4 326 B13R0.336 CCCCCCCCCCCCCCl Amb9787118 [1,1,0,0,0,0|1,0,1]=4 327 B13R0.336 CCCCCCCCCCCCCN Amb8513364 [1,1,0,0,0,0|1,0,1]=4 328 B13R0.336 CCCCCCCCCCCCCO Amb2748034 [1,1,0,0,0,0|0,0,1]=3 329 B13R0.336 CCCCCCCCCCCCNC Amb3941528 [1,1,0,0,0,0|1,0,1]=4 330 B13R0.336 CCCCCCCCCCCCON Amb24117984 [1,1,0,0,0,0|0,0,1]=3 331 B13R0.336 CCCCCCCCCCCN=C=S Amb19883893 [1,1,0,0,0,0|0,1,1]=4 332 B13R0.336 CCCCCCCCCCCSCC Amb32410616 [1,1,0,0,0,0|1,0,1]=4 333 B13R0.336 CCCCCCCCCCNCCC Amb9787079 [1,1,0,0,0,0|1,0,1]=4 334 B13R0.336 CCCCCCCCCCNCCN Amb18333779 [1,1,0,0,0,0|1,0,1]=4 335 B13R0.336 CCCCCCCCCCNCCO Amb9787053 [1,1,0,0,0,0|0,0,1]=3 336 B13R0.336 CCCCCCCCCCOCCCl Amb9787198 [1,1,0,0,0,0|1,0,1]=4 337 B13R0.336 CCCCCCCCCCSCCO Amb1032989 [1,1,0,0,0,0|0,0,1]=3 338 B13R0.336 CCCCCCCCCC\C=C\C#N Amb6600578 [1,1,0,0,0,0|1,0,1]=4 339 B13R0.336 CCCCCCCCCNCCOC Amb7794404 [1,1,0,0,0,0|1,0,1]=4 340 B13R0.336 CNCCCCCCCCCCCO Amb32653434 [1,1,0,0,0,0|0,0,1]=3 341 B13R0.336 ClCCCCCCCCCCCCCl Amb8514863 [1,1,0,0,0,0|1,0,1]=4 342 B13R0.336 N#CCCCCCCCCCCCBr Amb31031008 [1,1,0,0,0,0|1,0,1]=4 343 B13R0.336 NCCCCCCCCCCCCN Amb9786762 [1,1,0,0,0,0|1,0,1]=4 344 B13R0.336 NCCCCCCCCCCCCO Amb17608041 [1,1,0,0,0,0|0,0,1]=3 345 B13R0.336 O=CCCCCCCCCCCC=O Amb33456151 [1,1,0,0,0,0|0,0,1]=3 346 B13R0.336 OCCCCCCCCCCCCBr Amb2694964 [1,1,0,0,0,0|0,0,1]=3 347 B13R0.336 OCCCCCCCCCCCCO Amb9787352 [1,1,0,0,0,0|0,0,1]=3 348 B13R0.336 OCCCCCOCCCCCCCl Amb33719428 [1,1,0,0,0,0|1,0,1]=4 349 B13R0.336 SCCCCCCCCCCCCBr Amb32663658 [1,1,0,0,0,0|0,1,1]=4 350 B13R0.338 CCCCCCCC(C)NCCCO Amb7795535 [1,1,0,0,0,0|1,0,1]=4 351 B13R0.88 CCCC(=O)NCCCCCC(=O)O Amb6251697 [1,1,0,0,0,0|1,0,1]=4 352 B13R0.88 CCOC(=O)CCCCCCC(=O)O Amb8471020 [1,1,0,0,0,0|1,0,1]=4 353 B13R0.119 CCCCC(=O)CCCCCC(=O)O Amb6305233 [1,1,0,0,0,0|0,0,1]=3 354 B13R0.150 CCCCCCCCCC(C)C(=O)O Amb18320092 [1,1,0,0,0,0|0,0,0]=2 355 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O Amb34139108 [1,1,0,0,0,0|0,0,0]=2 356 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O Amb34152043 [1,1,0,0,0,0|0,0,0]=2 357 B13R0.150 CCCCCCCCNC(=O)C(=O)O Amb28653366 [1,1,0,0,0,0|1,0,1]=4 358 B13R0.154 CCCCCCCC(=O)NCC(=O)O Amb3998086 [1,1,0,0,0,0|1,0,1]=4 359 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] Amb19148937 [1,1,0,0,0,0|0,0,1]=3 360 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [1,1,0,0,0,0|0,0,0]=2 361 B13R0.179 CC(C)OCCOCCCCC(=O)O Amb9207797 [1,1,0,0,0,0|2,0,0]=4 362 B13R0.179 O=C(O)CCCCCCCCC(=O)O Amb4037061 [1,1,0,0,0,0|1,0,1]=4 363 B13R0.188 CCCCCC(=O)CCCCC(=O)O Amb6305236 [1,1,0,0,0,0|0,0,1]=3 364 B13R0.202 COC(=O)CCCCCCCC(=O)O Amb2099653 [1,1,0,0,0,0|1,0,1]=4 365 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [1,1,0,0,0,0|1,0,0]=3 366 B13R0.280 CCCCCCCCCCC(C)(C)O Amb33330860 [1,1,0,0,0,0|1,0,1]=4 367 B13R0.280 CCCCCCCCCCP(=O)(O)O Amb9786421 [1,1,0,0,0,0|1,0,0]=3 368 B13R0.280 CCCCCCCCCCP(C)(C)=O Amb1239581 [1,1,0,0,0,0|2,0,0]=4 369 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl Amb8517441 [1,1,0,0,0,0|1,0,1]=4 370 B13R0.280 CCCCCCCCCCS(=O)(=O)F Amb33352607 [1,1,0,0,0,0|1,0,1]=4 371 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] Amb2686676 [1,1,0,0,0,0|1,0,1]=4 372 B13R0.280 CCCCCCCCCCS(N)(=O)=O Amb9789393 [1,1,0,0,0,0|1,0,1]=4 373 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [1,1,0,0,0,0|0,0,0]=2 374 B15R0.67 CCCCCCCC(C)CC(C)CC(=O)O Amb33309628 [0,2,0,0,0,0|0,0,0]=2 375 B15R0.252 CCCCCCCCCCCCP(=O)(O)O Amb9786422 [0,2,0,0,0,0|1,0,0]=3 376 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl Amb9826764 [0,2,0,0,0,0|1,0,1]=4 377 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] Amb10807313 [0,2,0,0,0,0|1,0,1]=4 378 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] Amb8513405 [0,2,0,0,0,0|1,0,1]=4 379 B15R0.252 CCCCCCCCCCCCS(N)(=O)=O Amb9789394 [0,2,0,0,0,0|1,0,1]=4 380 B15R0.252 CCCCCCCCOCCCS(=O)(=O)Cl Amb32939972 [0,2,0,0,0,0|1,0,1]=4 381 B15R0.252 CCCCCCCOCCCCS(=O)(=O)Cl Amb32940445 [0,2,0,0,0,0|1,0,1]=4 382 B15R0.252 CCCCCCOCCCCCS(=O)(=O)Cl Amb32939854 [0,2,0,0,0,0|1,0,1]=4 383 B15R0.252 CCCCCOCCCCCCS(=O)(=O)Cl Amb32939877 [0,2,0,0,0,0|1,0,1]=4 384 B15R0.252 NCCCCCCCCCCCS(=O)(=O)F Amb33463851 [0,2,0,0,0,0|1,0,1]=4 385 B15R0.3358 CCCCS(=O)(=O)NCCCCCC(=O)O Amb1134858 [0,2,0,0,0,0|2,0,0]=4 386 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O Amb3354796 [0,2,0,0,0,0|0,0,1]=3 387 B15R0.172 COC(=O)CCCCCCCCC(=O)OC Amb534293 [0,2,0,0,0,0|1,0,1]=4 388 B15R0.172 COC(=O)CCCCCCCCC(F)CBr Amb22547620 [0,2,0,0,0,0|1,0,0]=3 389 B15R0.172 COC(=O)CCCCCCCCC(F)CO Amb22547616 [0,2,0,0,0,0|1,0,0]=3 390 B15R0.172 COC(=O)CCCCCCCCC(O)CF Amb22547611 [0,2,0,0,0,0|1,0,0]=3 391 B15R0.81 CCCCCCCCCCCCC(=O)OC Amb21928887 [0,2,0,0,0,0|0,0,0]=2 392 B15R0.81 CCCCCCCCCCCCC(C)CO Amb28556616 [0,2,0,0,0,0|1,0,1]=4 393 B15R0.81 CCCCCCCCCCCCC(O)CO Amb17674268 [0,2,0,0,0,0|0,0,2]=4 394 B15R0.81 CCCCCCCCCCOCC(O)CO Amb2611727 [0,2,0,0,0,0|0,0,2]=4 395 B15R0.81 COC(=O)CCCCCCCCCCCBr Amb4466753 [0,2,0,0,0,0|0,0,0]=2 396 B15R0.81 COC(=O)CCCCCCCCCCCN Amb17608040 [0,2,0,0,0,0|0,0,0]=2 397 B15R0.81 COC(=O)CCCCCCCCCCCN Amb21856053 [0,2,0,0,0,0|0,0,0]=2 398 B15R0.84 CCCCCCCCCCCC(C)=C(F)F Amb22641691 [0,2,0,0,0,0|2,0,0]=4 399 B15R0.84 CCCCCCCCCCNC(=O)C(C)Br Amb17332064 [0,2,0,0,0,0|2,0,0]=4 400 B15R0.324 CCCCCCCCCCC(Br)C(=O)OC Amb17673704 [0,2,0,0,0,0|0,0,0]=2 401 B15R0.324 CCCCCCCCNCC(C)C(=O)OC Amb20673404 [0,2,0,0,0,0|1,0,0]=3 402 B15R0.324 CCCCOCCCNCC(C)C(=O)OC Amb20673369 [0,2,0,0,0,0|2,0,0]=4 403 B15R0.366 CCCCCCCCCCCC(=O)OCC Amb6366580 [0,2,0,0,0,0|0,0,0]=2 404 B15R0.366 CCCCCCCCCCCC(=O)OCCl Amb32413654 [0,2,0,0,0,0|0,0,0]=2 405 B15R0.366 CCCCCCCCNCCC(=O)OCC Amb20673293 [0,2,0,0,0,0|1,0,0]=3 406 B15R0.366 CCCCCC\C=C\CCCC(=O)OCC Amb24066550 [0,2,0,0,0,0|0,0,2]=4 407 B15R0.366 CCOC(=O)CCCCCCCCCCN Amb33804736 [0,2,0,0,0,0|1,0,0]=3 408 B15R0.3221 CCCCCCCCCC(O)CC(=O)OC Amb21928822 [0,2,0,0,0,0|0,0,0]=2 409 B15R0.3221 CCCCCCCCC[C@@H](O)CC(=O)OC Amb31308367 [0,2,0,0,0,0|0,0,0]=2 410 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC Amb20673405 [0,2,0,0,0,0|1,0,0]=3 411 B15R0.3221 CCCCOCCCNC(C)CC(=O)OC Amb20673370 [0,2,0,0,0,0|2,0,0]=4 412 B15R0.1626 CCCCCCCCCCC(C)(C)C(=O)O Amb10565362 [0,2,0,0,0,0|0,0,0]=2 413 B15R0.88 CCCCCCCCNC(=O)CCC(=O)O Amb6337405 [0,2,0,0,0,0|0,0,1]=3 414 B15R0.69 CCCCCCCCCOC(=O)CC(C)=O Amb9787151 [0,2,0,0,0,0|1,0,1]=4 415 B15R0.129 CCCCCCCC(=O)NCCCC(=O)O Amb7786386 [0,2,0,0,0,0|0,0,1]=3 416 B15R0.129 CCCCCCNC(=O)CCCCC(N)=O Amb33512900 [0,2,0,0,0,0|1,0,1]=4 417 B15R0.164 C#CCCCCCCCCCCCC(=O)O Amb22642011 [0,2,0,0,0,0|0,0,0]=2 418 B15R0.164 CCCCCCCCCCCCCC(=O)Cl Amb3940239 [0,2,0,0,0,0|1,0,0]=3 419 B15R0.164 CCCCCCCCCCCCCC(=O)O Amb2708780 [0,2,0,0,0,0|0,0,0]=2 420 B15R0.164 CCCCCCCCCCCCCC(N)=O Amb6366249 [0,2,0,0,0,0|1,0,0]=3 421 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22168111 [0,2,0,0,0,0|2,0,0]=4 422 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22523280 [0,2,0,0,0,0|2,0,0]=4 423 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22729789 [0,2,0,0,0,0|2,0,0]=4 424 B15R0.164 CCCCCCCCCCCCNC(N)=O Amb2720910 [0,2,0,0,0,0|1,0,0]=3 425 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [0,2,0,0,0,0|1,0,0]=3 426 B15R0.164 CCCCCCCCCCCCSC(=N)N Amb10669535 [0,2,0,0,0,0|2,0,0]=4 427 B15R0.164 CCCCCCCCCCCCSC(=N)N Amb9176340 [0,2,0,0,0,0|2,0,0]=4 428 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb20630815 [0,2,0,0,0,0|0,0,0]=2 429 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb22059078 [0,2,0,0,0,0|0,0,0]=2 430 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [0,2,0,0,0,0|0,0,0]=2 431 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [0,2,0,0,0,0|0,0,0]=2 432 B15R0.164 COCCOCCOCCOCCC(=O)O Amb16184419 [0,2,0,0,0,0|2,0,0]=4 433 B15R0.164 O=C(O)CCCCCCCCCCN=C=S Amb33471536 [0,2,0,0,0,0|0,0,1]=3 434 B15R0.164 O=C=NCCCCCCCCCCC(=O)O Amb33471308 [0,2,0,0,0,0|0,0,1]=3 435 B15R0.164 [N-]=[N+]=NCCCCCCCCCCC(=O)O Amb33512718 [0,2,0,0,0,0|1,0,0]=3 436 B15R0.222 C=C(F)CCCCCCCCCCC(=O)O Amb22547618 [0,2,0,0,0,0|0,0,1]=3 437 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O Amb4037082 [0,2,0,0,0,0|0,0,1]=3 438 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O Amb4037268 [0,2,0,0,0,0|0,0,1]=3 439 B15R0.222 O=C([O-])CCCCCCCCCCC(=O)[O-] Amb22168125 [0,2,0,0,0,0|0,0,2]=4 440 B13R1.28 CCCCCCCC1CCCCC1 Amb21618900 [1,0,0,1,0,0|1,0,1]=4 441 B13R1.28 O=CCCCCCN1CCOCC1 Amb33323830 [1,0,0,1,0,0|2,0,0]=4 442 B13R1.34 C=CCCCC1CCCCCC1O Amb32944831 [1,0,0,1,0,0|2,0,0]=4 443 B13R1.34 C=CCCC[C@@H]1CCCCC[C@H]1O Amb32944362 [1,0,0,1,0,0|2,0,0]=4 444 B13R1.34 CCCCCC1CCCCCC1O Amb18328651 [1,0,0,1,0,0|0,0,1]=3 445 B13R1.34 CCCCC[C@@H]1CCCCC[C@H]1O Amb32950644 [1,0,0,1,0,0|0,0,1]=3 446 B13R1.34 CCCNCC1CCCCNC1=O Amb32756832 [1,0,0,1,0,0|2,0,0]=4 447 B13R1.34 CCCOCC1CCCCCC1O Amb32950330 [1,0,0,1,0,0|1,0,1]=4 448 B13R1.34 CCCOC[C@@H]1CCCCC[C@H]1O Amb32944327 [1,0,0,1,0,0|1,0,1]=4 449 B13R1.34 COCCCC1CCCCCC1O Amb18329322 [1,0,0,1,0,0|1,0,1]=4 450 B13R1.34 COCCC[C@@H]1CCCCC[C@H]1O Amb33213826 [1,0,0,1,0,0|1,0,1]=4 451 B13R1.119 CCCCCCCCC1OCCO1 Amb22364938 [1,0,0,1,0,0|1,0,1]=4 452 B13R1.154 CCCO[C@@H]1CCCCCC[C@H]1O Amb27431426 [1,0,0,1,0,0|1,0,1]=4 453 B13R1.154 N#CCCC1CCCCCCC1=O Amb27599377 [1,0,0,1,0,0|1,0,1]=4 454 B13R1.203 CC1CCCCCCCCCC1O Amb27650320 [1,0,0,1,0,0|0,0,1]=3 455 B13R1.203 C[C@@H]1CCCCCCCCC[C@H]1O Amb27432179 [1,0,0,1,0,0|0,0,1]=3 456 B13R1.203 O=C1CCCCCCCCCC1O Amb28282020 [1,0,0,1,0,0|1,0,0]=3 457 B13R1.203 O[C@@H]1CCCCCCCCC[C@H]1O Amb27970887 [1,0,0,1,0,0|1,0,1]=4 458 B13R1.203 O[C@H]1CCCCCCCCC[C@H]1O Amb28190320 [1,0,0,1,0,0|1,0,1]=4 459 B13R1.279 CC1CCCCCCCCCCC1 Amb27263841 [1,0,0,1,0,0|1,0,1]=4 460 B13R1.279 ClC1CCCCCCCCCCC1 Amb7766842 [1,0,0,1,0,0|1,0,1]=4 461 B13R1.279 NC1CCCCCCCCCCC1 Amb1116041 [1,0,0,1,0,0|1,0,1]=4 462 B13R1.279 NC1CCCCCCCCCCC1 Amb32410389 [1,0,0,1,0,0|1,0,1]=4 463 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [1,0,0,1,0,0|0,0,0]=2 464 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [1,0,0,1,0,0|1,0,0]=3 465 B13R1.279 O=C1CNCCCCCCCCN1 Amb27240963 [1,0,0,1,0,0|2,0,0]=4 466 B13R1.279 OC1CCCCCCCCCCC1 Amb532972 [1,0,0,1,0,0|0,0,1]=3 467 B13R1.279 SC1CCCCCCCCCCC1 Amb7784773 [1,0,0,1,0,0|0,1,1]=4 468 B13R1.378 O=C1CCCCCCCN1CCBr Amb30013843 [1,0,0,1,0,0|2,0,0]=4 469 B13R1.378 O=C1CCCCCCCN1CCCl Amb30013842 [1,0,0,1,0,0|2,0,0]=4 470 B13R1.378 O=C1CCCCCCCN1CCS Amb30014000 [1,0,0,1,0,0|2,0,0]=4 471 B13R1.489 OCCCN1CCCCCCCC1 Amb28188265 [1,0,0,1,0,0|1,0,1]=4 472 B13R1.623 OCC1C=CCCCCCCCC1 Amb27651764 [1,0,0,1,0,0|2,0,0]=4 473 B13R1.623 OCC1CCCCCCCCCC1 Amb27259064 [1,0,0,1,0,0|0,0,1]=3 474 B13R1.654 CCCCCCCC1CCCC1=O Amb533700 [1,0,0,1,0,0|0,0,0]=2 475 B13R1.659 BrCCCCCCCCCC1CC1 Amb32992760 [1,0,0,1,0,0|1,0,1]=4 476 B13R1.659 CCCCCCCCCCC1CO1 Amb6600546 [1,0,0,1,0,0|0,0,1]=3 477 B13R1.659 NCCCCCCCCCC1CC1 Amb33167100 [1,0,0,1,0,0|1,0,1]=4 478 B13R1.659 O=CCCCCCCCCC1CC1 Amb33167105 [1,0,0,1,0,0|0,0,0]=2 479 B13R1.659 OCCCCCCCCCC1CC1 Amb32992804 [1,0,0,1,0,0|0,0,1]=3 480 B13R1.1150 OCCCNC1CCCCCCC1 Amb6733582 [1,0,0,1,0,0|1,0,1]=4 481 B13R1.1887 CCCCCCC1CCCCCN1 Amb2235791 [1,0,0,1,0,0|1,0,1]=4 482 B13R1.2883 C1CCCCCCNCCCCC1 Amb6360407 [1,0,0,1,0,0|1,0,1]=4 483 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [1,0,0,1,0,0|0,0,0]=2 484 B13R1.6 CCCCNCC1CCCC(=O)N1 Amb32721277 [1,0,0,1,0,0|2,0,0]=4 485 B13R1.90 CCC1CCCCC1OCC(=O)O Amb6281025 [1,0,0,1,0,0|1,0,0]=3 486 B13R1.90 CCC1CCCCC1\C=C\C(=O)O Amb27626367 [1,0,0,1,0,0|0,0,2]=4 487 B13R1.90 CCC1CCCCN1CCC(=O)Cl Amb17143287 [1,0,0,1,0,0|2,0,0]=4 488 B13R1.90 CCC1CCCCN1CCC(=O)O Amb21955365 [1,0,0,1,0,0|1,0,0]=3 489 B13R1.90 CCC1CCCCN1CCC(=O)O Amb5760925 [1,0,0,1,0,0|1,0,0]=3 490 B13R1.90 CCC1CCCCN1CCC(C)=O Amb8872862 [1,0,0,1,0,0|2,0,0]=4 491 B13R1.90 COC1CCCCC1NCC(=O)O Amb9640481 [1,0,0,1,0,0|2,0,0]=4 492 B13R1.90 C\C=C1\CCCCC1CCC(=O)O Amb27649352 [1,0,0,1,0,0|0,0,2]=4 493 B13R1.90 NC[C@@H]1CCCCN1CCC(=O)O Amb33218409 [1,0,0,1,0,0|2,0,0]=4 494 B13R1.90 NC[C@H]1CCCCN1CCC(=O)O Amb33218357 [1,0,0,1,0,0|2,0,0]=4 495 B13R1.158 CC1CCCCC1NCCC(=O)O Amb7755666 [1,0,0,1,0,0|1,0,0]=3 496 B13R1.158 CC1CCCCN1CCCC(=O)O Amb5761440 [1,0,0,1,0,0|1,0,0]=3 497 B13R1.158 CN1CCCCC1CCCC(=O)O Amb33322459 [1,0,0,1,0,0|1,0,0]=3 498 B13R1.158 CN1CCCCC1CNCC(=O)O Amb18313080 [1,0,0,1,0,0|2,0,0]=4 499 B13R1.158 CN1CCCCC1COCC(=O)O Amb8010336 [1,0,0,1,0,0|2,0,0]=4 500 B13R1.158 O=C(O)CCCC1CCCCC1=O Amb17594755 [1,0,0,1,0,0|1,0,1]=4 501 B13R1.167 CN1CCCC1CCCCC(=O)O Amb33320357 [1,0,0,1,0,0|1,0,0]=3 502 B13R1.224 C=CCC1CCCCCC1C(=O)O Amb28423343 [1,0,0,1,0,0|0,0,2]=4 503 B13R1.224 CCNC1CCCCCC1C(N)=O Amb27804671 [1,0,0,1,0,0|2,0,0]=4 504 B13R1.224 NCCN1CCCCCC1C(=O)O Amb27444112 [1,0,0,1,0,0|2,0,0]=4 505 B13R1.280 CN1CCCCCC1CCC(=O)O Amb18191306 [1,0,0,1,0,0|1,0,0]=3 506 B13R1.280 O=C(O)CCC1CCCCCC1=O Amb18822898 [1,0,0,1,0,0|1,0,1]=4 507 B13R1.280 O=C(O)CC[C@H]1CCCCCC1=O Amb28366204 [1,0,0,1,0,0|1,0,1]=4 508 B13R1.280 O=C(O)CNC1CCCCCC1O Amb28315346 [1,0,0,1,0,0|2,0,0]=4 509 B13R1.280 O=C(O)CSC1CCCCCC1O Amb27401645 [1,0,0,1,0,0|2,0,0]=4 510 B13R1.283 NC1CCCCCCC1CC(=O)O Amb32863475 [1,0,0,1,0,0|1,0,0]=3 511 B13R1.289 CC1CCCCCCCCC(=O)N1 Amb28365005 [1,0,0,1,0,0|1,0,0]=3 512 B13R1.337 NC(=O)CNCCC1CCCCC1 Amb13952496 [1,0,0,1,0,0|2,0,0]=4 513 B13R1.337 O=C(O)C#CCCC1CCCCC1 Amb27947677 [1,0,0,1,0,0|0,0,2]=4 514 B13R1.337 O=C(O)CCCCC1CCCCC1 Amb22336378 [1,0,0,1,0,0|0,0,0]=2 515 B13R1.337 O=C(O)CCCCC1CCCCN1 Amb32430376 [1,0,0,1,0,0|1,0,0]=3 516 B13R1.337 O=C(O)CCCCC1CCCOC1 Amb33229244 [1,0,0,1,0,0|1,0,0]=3 517 B13R1.337 O=C(O)CCCCC1CCOCC1 Amb33229243 [1,0,0,1,0,0|1,0,0]=3 518 B13R1.337 O=C(O)CCCCN1CCCCC1 Amb19373622 [1,0,0,1,0,0|1,0,0]=3 519 B13R1.337 O=C(O)CCCCN1CCNCC1 Amb17479004 [1,0,0,1,0,0|2,0,0]=4 520 B13R1.337 O=C(O)CCCCN1CCOCC1 Amb32956216 [1,0,0,1,0,0|2,0,0]=4 521 B13R1.337 O=C(O)CCCCN1CCOCC1 Amb7783149 [1,0,0,1,0,0|2,0,0]=4 522 B13R1.337 O=C(O)CCCOC1CCOCC1 Amb19046913 [1,0,0,1,0,0|2,0,0]=4 523 B13R1.337 O=C(O)CCCSC1CCCCC1 Amb32411477 [1,0,0,1,0,0|1,0,0]=3 524 B13R1.337 O=C(O)CCCSC1CCNCC1 Amb17502196 [1,0,0,1,0,0|2,0,0]=4 525 B13R1.337 O=C(O)CCNCC1CCCCC1 Amb8830821 [1,0,0,1,0,0|1,0,0]=3 526 B13R1.337 O=C(O)CCSCC1CCCCC1 Amb6260195 [1,0,0,1,0,0|1,0,0]=3 527 B13R1.337 O=C(O)CNCCN1CCCCC1 Amb9325913 [1,0,0,1,0,0|2,0,0]=4 528 B13R1.337 O=C(O)COCCC1CCCCN1 Amb18628209 [1,0,0,1,0,0|2,0,0]=4 529 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33620646 [1,0,0,1,0,0|2,0,0]=4 530 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33732301 [1,0,0,1,0,0|2,0,0]=4 531 B13R1.337 O=C(O)CSCCN1CCCCC1 Amb6745655 [1,0,0,1,0,0|2,0,0]=4 532 B13R1.337 O=C(O)\C=C\CCC1CCCCC1 Amb33470091 [1,0,0,1,0,0|0,0,2]=4 533 B13R1.343 O=C(O)CCCCCC1CCCC1 Amb33172440 [1,0,0,1,0,0|0,0,0]=2 534 B13R1.343 O=C(O)CCCCCN1CCCC1 Amb32953909 [1,0,0,1,0,0|1,0,0]=3 535 B13R1.343 O=C(O)CCCCOC1CCCC1 Amb9207783 [1,0,0,1,0,0|1,0,0]=3 536 B13R1.343 O=C(O)CCNCCN1CCCC1 Amb9240770 [1,0,0,1,0,0|2,0,0]=4 537 B13R1.343 O=C(O)CCSCCN1CCCC1 Amb6745718 [1,0,0,1,0,0|2,0,0]=4 538 B13R1.343 O=C(O)CNCCCN1CCCC1 Amb19058449 [1,0,0,1,0,0|2,0,0]=4 539 B13R1.380 CCCC1CCCCC1NC(N)=O Amb28051036 [1,0,0,1,0,0|2,0,0]=4 540 B13R1.380 CCOC1COCCC1CC(=O)O Amb18821116 [1,0,0,1,0,0|2,0,0]=4 541 B13R1.380 COCC1CCCCN1CC(=O)O Amb21865524 [1,0,0,1,0,0|2,0,0]=4 542 B13R1.380 O=C(O)CN1CCCCC1CCO Amb6651199 [1,0,0,1,0,0|2,0,0]=4 543 B13R1.486 O=C1CCCCCC(CCCO)N1 Amb18191307 [1,0,0,1,0,0|2,0,0]=4 544 B13R1.572 C#CCCC1CCCCC1C(=O)O Amb27589249 [1,0,0,1,0,0|0,0,2]=4 545 B13R1.572 CCCCC1CCCNC1C(=O)O Amb33500830 [1,0,0,1,0,0|1,0,0]=3 546 B13R1.572 CCCCC1CCNCC1C(=O)O Amb33500858 [1,0,0,1,0,0|1,0,0]=3 547 B13R1.572 CCCCC1CNCCC1C(=O)O Amb33500839 [1,0,0,1,0,0|1,0,0]=3 548 B13R1.572 CCCCC1NCCCC1C(=O)O Amb33500838 [1,0,0,1,0,0|1,0,0]=3 549 B13R1.572 CCCCN1CCCCC1C(=O)O Amb13886354 [1,0,0,1,0,0|1,0,0]=3 550 B13R1.572 CCCCN1CCCCC1C(=O)O Amb2382770 [1,0,0,1,0,0|1,0,0]=3 551 B13R1.572 CCCCN1CCOCC1C(=O)O Amb24271291 [1,0,0,1,0,0|2,0,0]=4 552 B13R1.610 CCC1CCCCCC1CC(=O)O Amb35721706 [1,0,0,1,0,0|0,0,0]=2 553 B13R1.610 CCC1CCCCCC1NC(C)=O Amb2227899 [1,0,0,1,0,0|2,0,0]=4 554 B13R1.610 CCC1CCCCCN1CC(C)=O Amb28250568 [1,0,0,1,0,0|2,0,0]=4 555 B13R1.610 CCC1CCCCC\C1=C/C(=O)O Amb35721261 [1,0,0,1,0,0|0,0,2]=4 556 B13R1.610 CC[C@@H]1NCCCC[C@H]1CC(=O)O Amb18191310 [1,0,0,1,0,0|1,0,0]=3 557 B13R1.610 CC[C@H]1CCCCC[C@@H]1NC(C)=O Amb27969225 [1,0,0,1,0,0|2,0,0]=4 558 B13R1.610 COC1CCCCCC1CC(=O)O Amb18822015 [1,0,0,1,0,0|1,0,0]=3 559 B13R1.610 N#CC1CCCCCC1CC(=O)O Amb29854449 [1,0,0,1,0,0|1,0,1]=4 560 B13R1.614 C=CC1CCCCCCC1C(=O)O Amb27872195 [1,0,0,1,0,0|0,0,2]=4 561 B13R1.614 CCN1CCCCCCC1C(=O)O Amb28249659 [1,0,0,1,0,0|1,0,0]=3 562 B13R1.668 CCCCCC1CCCCC1(C)O Amb32945009 [1,0,0,1,0,0|1,0,1]=4 563 B13R1.668 CCCCC[C@@H]1CCCC[C@@]1(C)O Amb32944703 [1,0,0,1,0,0|1,0,1]=4 564 B13R1.1009 O=C(O)C1CCCCCCCCN1 Amb27392275 [1,0,0,1,0,0|1,0,0]=3 565 B13R1.1022 O=C(O)CCC1CCCCCCC1 Amb27605503 [1,0,0,1,0,0|0,0,0]=2 566 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb21955684 [1,0,0,1,0,0|1,0,0]=3 567 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb6646779 [1,0,0,1,0,0|1,0,0]=3 568 B13R1.1022 O=C(O)COC1CCCCCCC1 Amb28385714 [1,0,0,1,0,0|1,0,0]=3 569 B13R1.1022 O=C(O)\C=C\C1CCCCCCC1 Amb24397482 [1,0,0,1,0,0|0,0,2]=4 570 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [1,0,0,1,0,0|0,0,0]=2 571 B13R1.1052 O=C(O)CCOCCOCC1CC1 Amb33167111 [1,0,0,1,0,0|2,0,0]=4 572 B13R1.1107 CC(=O)CN1CCCCCCCC1 Amb27596192 [1,0,0,1,0,0|2,0,0]=4 573 B13R1.1107 NC(=O)CN1CCCCCCCC1 Amb28254750 [1,0,0,1,0,0|2,0,0]=4 574 B13R1.1107 O=C(O)CC1=CCCCCCCC1 Amb28324566 [1,0,0,1,0,0|0,0,2]=4 575 B13R1.1988 NC(=O)CCNC1CCCCCC1 Amb8858451 [1,0,0,1,0,0|2,0,0]=4 576 B13R1.1988 O=C(O)C#CCC1CCCCCC1 Amb27238099 [1,0,0,1,0,0|0,0,2]=4 577 B13R1.1988 O=C(O)CCCC1CCCCCC1 Amb33470260 [1,0,0,1,0,0|0,0,0]=2 578 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb10072744 [1,0,0,1,0,0|1,0,0]=3 579 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb5501646 [1,0,0,1,0,0|1,0,0]=3 580 B13R1.1988 O=C(O)\C=C\CC1CCCCCC1 Amb26047869 [1,0,0,1,0,0|0,0,2]=4 581 B15R1.6659 O=C(O)CCN1CCCCCCCC1=O Amb35644115 [0,1,0,1,0,0|1,0,1]=4 582 B15R1.8019 CC1CCCCN1C(=O)CCCC(=O)O Amb9704146 [0,1,0,1,0,0|1,0,1]=4 583 B15R1.31246 O=C(O)CCCC(=O)N1CCCCCC1 Amb1119287 [0,1,0,1,0,0|1,0,1]=4 584 B15R1.8882 CN(C)CCCN1CCCCC1C(=O)O Amb17561235 [0,1,0,1,0,0|2,0,0]=4 585 B15R1.8894 CC(C)C[C@@H]1NCCCC[C@H]1CC(=O)O Amb18771359 [0,1,0,1,0,0|1,0,0]=3 586 B15R1.8900 O=C(O)CCCCCCCCCC1CC1 Amb33166758 [0,1,0,1,0,0|0,0,0]=2 587 B15R1.12256 C=C(C)CN1CCCCCCC1C(=O)O Amb27218338 [0,1,0,1,0,0|1,0,1]=4 588 B15R1.12256 CC(O)CN1CCCCCCC1C(=O)O Amb27478867 [0,1,0,1,0,0|1,0,0]=3 589 B15R1.12256 O=C(O)C1CCCCCCN1CC(F)F Amb27842754 [0,1,0,1,0,0|2,0,0]=4 590 B15R1.131 CC1CC=CCC1COCCCC(=O)O Amb9208703 [0,1,0,1,0,0|0,0,2]=4 591 B15R1.131 CC1CCCCC1OCCCCC(=O)O Amb9207791 [0,1,0,1,0,0|0,0,0]=2 592 B15R1.131 CC1CCCCN1CCCNCC(=O)O Amb7766495 [0,1,0,1,0,0|1,0,0]=3 593 B15R1.504 O=C(O)CCCCOCC1CCCCO1 Amb9207796 [0,1,0,1,0,0|1,0,0]=3 594 B15R1.504 O=C(O)CCNCCCN1CCCCC1 Amb20573470 [0,1,0,1,0,0|1,0,0]=3 595 B15R1.504 O=C(O)CCNCCCN1CCOCC1 Amb8997961 [0,1,0,1,0,0|2,0,0]=4 596 B15R1.1036 CCCOC1CNCC(CCC(=O)O)C1 Amb33068999 [0,1,0,1,0,0|2,0,0]=4 597 B15R1.1239 CCCCC(=O)N1CCCCC1C(=O)O Amb9713642 [0,1,0,1,0,0|1,0,1]=4 598 B15R1.1239 CCCNC(=O)C1CCCCC1C(=O)O Amb1901784 [0,1,0,1,0,0|1,0,1]=4 599 B15R1.1239 CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb32429923 [0,1,0,1,0,0|1,0,1]=4 600 B15R1.506 O=C(O)CCCCCC(=O)C1CCCC1 Amb6305210 [0,1,0,1,0,0|0,0,1]=3 601 B15R1.1405 CCCCCC(=O)N1CCC[C@@H]1C(=O)O Amb25388349 [0,1,0,1,0,0|1,0,1]=4 602 B15R1.8958 O=C(O)CCNCCN1CCCCCC1 Amb20573203 [0,1,0,1,0,0|1,0,0]=3 603 B15R1.8958 O=C(O)CNCCCN1CCCCCC1 Amb20573289 [0,1,0,1,0,0|1,0,0]=3 604 B15R1.64 CCC1CCCC(CCCCC(=O)O)C1 Amb33229247 [0,1,0,1,0,0|0,0,0]=2 605 B15R1.871 CC1CCC(OCCCCC(=O)O)CC1 Amb9207789 [0,1,0,1,0,0|1,0,0]=3 606 B15R1.11631 COC(=O)CCCCCCCCC1CO1 Amb533252 [0,1,0,1,0,0|1,0,0]=3 607 B15R1.12 CCCCCCCCC1CCC(=O)CC1 Amb33718613 [0,1,0,1,0,0|1,0,0]=3 608 B15R1.85 CCC1CCCCC1OCCC(=O)OC Amb9206371 [0,1,0,1,0,0|1,0,0]=3 609 B15R1.962 COC(=O)CCCSCC1CCCNC1 Amb17503128 [0,1,0,1,0,0|2,0,0]=4 610 B15R1.962 COC(=O)CCCSCC1CCNCC1 Amb17503029 [0,1,0,1,0,0|2,0,0]=4 611 B15R1.962 COC(=O)CCSCCC1CCCCN1 Amb22395656 [0,1,0,1,0,0|2,0,0]=4 612 B15R1.1091 COC(=O)CCCNC1CCCCC1C Amb8961058 [0,1,0,1,0,0|1,0,0]=3 613 B15R1.11371 COC(=O)C1CCCCCCCCC1=O Amb33330808 [0,1,0,1,0,0|1,0,1]=4 614 B15R1.15405 C#CC1(O)CCCCCCCCCCC1 Amb1779893 [0,1,0,1,0,0|1,0,1]=4 615 B15R1.272 CC(CN1CCCCC1CCO)C(=O)O Amb9400705 [0,1,0,1,0,0|2,0,0]=4 616 B15R1.3664 CC(CCCCN1CCOCC1)C(=O)O Amb33323981 [0,1,0,1,0,0|2,0,0]=4 617 B15R1.3664 CC(CNCCN1CCCCC1)C(=O)O Amb20573380 [0,1,0,1,0,0|2,0,0]=4 618 B15R1.3670 CC(CNCCCN1CCCC1)C(=O)O Amb20573222 [0,1,0,1,0,0|2,0,0]=4 619 B15R1.9036 CC(=O)C1CCCCCCCCCCC1 Amb1033011 [0,1,0,1,0,0|1,0,0]=3 620 B15R1.9036 O=C(O)C1CCCCCCCCCCC1 Amb22347939 [0,1,0,1,0,0|0,0,0]=2 621 B15R1.15979 NC(CCC1CCCCCCC1)C(=O)O Amb34912575 [0,1,0,1,0,0|0,0,0]=2 622 B15R1.86 CCC1CCCCN1C(=O)CCC(=O)O Amb9762162 [0,1,0,1,0,0|1,0,1]=4 623 B15R1.5919 CN(CCC(=O)O)CCN1CCCCC1 Amb17561234 [0,1,0,1,0,0|2,0,0]=4 624 B15R1.5919 NC(CCC(=O)O)CCN1CCOCC1 Amb33226916 [0,1,0,1,0,0|2,0,0]=4 625 B15R1.5919 O=C(O)CNC(=O)CCC1CCCCC1 Amb6248729 [0,1,0,1,0,0|1,0,1]=4 626 B15R1.16777 O=C(O)CCC(=O)NC1CCCCCC1 Amb6498097 [0,1,0,1,0,0|1,0,1]=4 627 B15R1.271 CC(CC(=O)O)N1CCCCC1CCO Amb9399267 [0,1,0,1,0,0|2,0,0]=4 628 B15R1.5503 CC(CC(=O)O)NCCCN1CCCC1 Amb20573440 [0,1,0,1,0,0|2,0,0]=4 629 B15R1.9084 CC(CC(=O)O)NCCN1CCCCC1 Amb20414301 [0,1,0,1,0,0|2,0,0]=4 630 B15R1.22526 CC(=O)CC(C)N1CCCCCCCC1 Amb27413142 [0,1,0,1,0,0|2,0,0]=4 631 B15R1.106 CCCCCCCCC1CCCC(=O)O1 Amb22732769 [0,1,0,1,0,0|0,0,0]=2 632 B15R1.106 N#CCCCCCCC1CCCC(=O)C1 Amb6302011 [0,1,0,1,0,0|1,0,1]=4 633 B15R1.3745 CC#CCCN1CCCCCC1C(=O)O Amb27215920 [0,1,0,1,0,0|0,0,2]=4 634 B15R1.9199 CCCCCCCCCCCCC1CO1 Amb9787730 [0,1,0,1,0,0|1,0,1]=4 635 B15R1.10901 C#CCCN1CCCCCCC1C(=O)O Amb27881341 [0,1,0,1,0,0|0,0,2]=4 636 B15R1.497 O=C(O)CCCCC(=O)C1CCCCC1 Amb6305205 [0,1,0,1,0,0|0,0,1]=3 637 B15R1.497 O=C(O)CCCNC(=O)C1CCCCC1 Amb1112140 [0,1,0,1,0,0|1,0,1]=4 638 B15R1.3995 CCCCCC1C(O)CCC1CC(=O)O Amb33984317 [0,1,0,1,0,0|0,0,0]=2 639 B15R2.31 O=C1C=C(CC2CCCCC2)CCC1 Amb27386840 [0,0,0,2,0,0|1,0,1]=4 640 B15R2.31 O=C1CCCC(CN2CCCCC2)C1 Amb30013877 [0,0,0,2,0,0|2,0,0]=4 641 B15R2.31 O=C1CCCC(NC2CCCCC2)C1 Amb27437242 [0,0,0,2,0,0|2,0,0]=4 642 B15R2.31 O=C1CCOC(CC2CCCCC2)C1 Amb27830781 [0,0,0,2,0,0|2,0,0]=4 643 B15R2.335 CC1CCCN1CC2CCCC(=O)C2 Amb30013880 [0,0,0,2,0,0|2,0,0]=4 644 B15R2.1117 O=C1CCCC(COC2CCCC2)C1 Amb35695741 [0,0,0,2,0,0|2,0,0]=4 645 B15R2.1117 O=C1CCCC(CSC2CCCC2)C1 Amb35699386 [0,0,0,2,0,0|2,0,0]=4 646 B15R2.1117 O=C1CCCC(SCC2CCCC2)C1 Amb27181496 [0,0,0,2,0,0|2,0,0]=4 647 B15R2.1117 OC1CCCC(CCC2CCCC2)C1 Amb27643263 [0,0,0,2,0,0|1,0,1]=4 648 B15R2.7124 O=C1CCCC(N2CCCCCC2)C1 Amb27780772 [0,0,0,2,0,0|2,0,0]=4 649 B15R2.7124 O=C1CCCN(C2CCCCCC2)C1 Amb10603082 [0,0,0,2,0,0|2,0,0]=4 650 B15R2.11929 CCC[C@@H]1CCC[C@H]2CCNC(=O)[C@@H]21 Amb27469721 [0,0,0,2,0,0|2,0,0]=4 651 B15R2.13221 O=C1C=C2CCCCCCCC(C1)C2 Amb26021707 [0,0,0,2,0,0|1,0,1]=4 652 B15R2.13221 O=C1CC2CCCCCCCC(C1)C2 Amb27864039 [0,0,0,2,0,0|1,0,0]=3 653 B15R2.13221 O=C1C[C@H]2CCCCCCC[C@@H](C1)C2 Amb27483017 [0,0,0,2,0,0|1,0,0]=3 654 B15R2.42191 CC1CCCCCC12CC(=O)CCO2 Amb35734063 [0,0,0,2,0,0|2,0,0]=4 655 B15R2.42191 CC1CCCCCC12COCC(=O)N2 Amb35681177 [0,0,0,2,0,0|2,0,0]=4 656 B15R2.47611 O=C1CCOC2(CCCCCCC2)C1 Amb27668180 [0,0,0,2,0,0|2,0,0]=4 657 B15R2.6 CC(=O)CCN1CCC2CCCCC21 Amb28293439 [0,0,0,2,0,0|2,0,0]=4 658 B15R2.6 NC(=O)CCN1CCC2CCCCC21 Amb27248336 [0,0,0,2,0,0|2,0,0]=4 659 B15R2.6 O=C(O)CCN1CC[C@@H]2CCCC[C@@H]21 Amb27627104 [0,0,0,2,0,0|1,0,0]=3 660 B15R2.6 O=C(O)CNC1CCN2CCCCC12 Amb18978710 [0,0,0,2,0,0|2,0,0]=4 661 B15R2.627 CN1C(C(=O)O)CCC2CCCCC21 Amb27479125 [0,0,0,2,0,0|1,0,0]=3 662 B15R2.627 O=C(O)C1CCC2CCCCC2C1O Amb25684745 [0,0,0,2,0,0|1,0,0]=3 663 B15R2.627 O=C(O)C1CCC2CCCNC2C1O Amb26591110 [0,0,0,2,0,0|2,0,0]=4 664 B15R2.627 O=C(O)C1CC[C@@H]2CCCC[C@H]2[C@@H]1O Amb28349290 [0,0,0,2,0,0|1,0,0]=3 665 B15R2.1668 CC(=O)NC1CCC2CCCCC2C1 Amb28046289 [0,0,0,2,0,0|2,0,0]=4 666 B15R2.1668 CC(=O)OC1CCC2CCCCC2C1 Amb4004957 [0,0,0,2,0,0|2,0,0]=4 667 B15R2.1668 NC(=O)CC1CCC2CNCCC2C1 Amb35752138 [0,0,0,2,0,0|2,0,0]=4 668 B15R2.1668 NC(=O)CC1CCC2CNCCC2C1 Amb35752271 [0,0,0,2,0,0|2,0,0]=4 669 B15R2.1668 NC(=O)CN1CCC2CCCCC2C1 Amb10683307 [0,0,0,2,0,0|2,0,0]=4 670 B15R2.1668 O=C(O)CC1=CCC2CCCCC2C1 Amb27411871 [0,0,0,2,0,0|0,0,2]=4 671 B15R2.1668 O=C(O)CC1CCC2CNCCC2C1 Amb33734021 [0,0,0,2,0,0|1,0,0]=3 672 B15R2.1668 O=C(O)CC1CCC2CNCCC2C1 Amb33742692 [0,0,0,2,0,0|1,0,0]=3 673 B15R2.1668 O=C(O)CC1CCN2CCOCC2C1 Amb18811233 [0,0,0,2,0,0|2,0,0]=4 674 B15R2.1668 O=C(O)CC1CCN2CCSCC2C1 Amb18170833 [0,0,0,2,0,0|2,0,0]=4 675 B15R2.1668 O=C(O)CC1CN2CCCCC2CN1 Amb18811724 [0,0,0,2,0,0|2,0,0]=4 676 B15R2.1668 O=C(O)CN1CCC2CCCCC2C1 Amb9266111 [0,0,0,2,0,0|1,0,0]=3 677 B15R2.1668 O=C(O)CN1CCN2CCCCC2C1 Amb27817816 [0,0,0,2,0,0|2,0,0]=4 678 B15R2.1921 CCC1CCCCC1OC2CC(=O)C2 Amb27240631 [0,0,0,2,0,0|2,0,0]=4 679 B15R2.2189 CCC1CCCCC1C2CC(=O)CO2 Amb35718651 [0,0,0,2,0,0|2,0,0]=4 680 B15R2.2189 CCC1CCCCC1C2CCC(=O)O2 Amb27960098 [0,0,0,2,0,0|0,0,0]=2 681 B15R2.2189 CCC1CCCCC1C2CCC(O)C2 Amb27174752 [0,0,0,2,0,0|1,0,1]=4 682 B15R2.2189 CCC1CCCCC1C2CN=C(N)O2 Amb27845295 [0,0,0,2,0,0|2,0,0]=4 683 B15R2.2189 CCC1CCCCC1C2COC(=O)N2 Amb27627198 [0,0,0,2,0,0|2,0,0]=4 684 B15R2.2189 COC1CCCCC1C2CCC(=O)C2 Amb27656235 [0,0,0,2,0,0|2,0,0]=4 685 B15R2.4961 CCC1CCCCC1C2CC2C(C)=O Amb28058743 [0,0,0,2,0,0|1,0,0]=3 686 B15R2.16137 O=C(O)CC\C=C1\CCCCC12CC2 Amb28057482 [0,0,0,2,0,0|0,0,2]=4 687 B15R2.1664 O=C(O)CC1CNC2CCCC2CO1 Amb27824168 [0,0,0,2,0,0|2,0,0]=4 688 B15R2.2330 CCC1COCC12CNCC2C(=O)O Amb35647005 [0,0,0,2,0,0|2,0,0]=4 689 B15R2.5367 CCC1COCC1N2CCC2C(=O)O Amb35590876 [0,0,0,2,0,0|2,0,0]=4 690 B15R2.5367 O=C(O)C1CCC1N2CCC[C@@H]2CO Amb35711277 [0,0,0,2,0,0|2,0,0]=4 691 B15R2.5367 O=C(O)C1CCC1N2CCC[C@H]2CO Amb35711278 [0,0,0,2,0,0|2,0,0]=4 692 B15R2.7688 O=C(O)CCC1CN2CCCC2CN1 Amb18811725 [0,0,0,2,0,0|2,0,0]=4 693 B15R2.7688 O=C(O)CCN1CCC2COCC2C1 Amb35606354 [0,0,0,2,0,0|2,0,0]=4 694 B15R2.7688 O=C(O)CCN1CCN2CCCC2C1 Amb27250444 [0,0,0,2,0,0|2,0,0]=4 695 B15R2.7688 O=C(O)CCN1CC[C@H]2OCC[C@H]2C1 Amb27256241 [0,0,0,2,0,0|2,0,0]=4 696 B15R2.43323 CC1C(CC(=O)O)NCC2CCCN21 Amb18811726 [0,0,0,2,0,0|2,0,0]=4 697 B15R2.283 NC1=NCC(CCC2CCCCC2)O1 Amb27666129 [0,0,0,2,0,0|2,0,0]=4 698 B15R2.283 O=C1C=C(CCC2CCCCC2)CC1 Amb28043534 [0,0,0,2,0,0|1,0,1]=4 699 B15R2.283 O=C1CCC(CCC2CCCCO2)C1 Amb30036339 [0,0,0,2,0,0|2,0,0]=4 700 B15R2.283 O=C1CCC(COC2CCCCO2)O1 Amb25994178 [0,0,0,2,0,0|2,0,0]=4 701 B15R2.283 O=C1CCC(OCC2CCCCC2)C1 Amb27425441 [0,0,0,2,0,0|2,0,0]=4 702 B15R2.283 O=C1CCN(CCC2CCCCC2)C1 Amb19052752 [0,0,0,2,0,0|2,0,0]=4 703 B15R2.283 O=C1CC[C@@H](CNC2CCCCC2)N1 Amb27387009 [0,0,0,2,0,0|2,0,0]=4 704 B15R2.283 O=C1CC[C@@H](COC2CCCCO2)O1 Amb22887008 [0,0,0,2,0,0|2,0,0]=4 705 B15R2.283 O=C1COC(CCC2CCCCC2)C1 Amb35718642 [0,0,0,2,0,0|2,0,0]=4 706 B15R2.283 O=C1NCC(CCC2CCCCC2)O1 Amb27192133 [0,0,0,2,0,0|1,0,0]=3 707 B15R2.287 CC1CCCC1NCC2CCC(=O)N2 Amb27417550 [0,0,0,2,0,0|2,0,0]=4 708 B15R2.305 CC1CCCCC1CC2CCC(=O)N2 Amb28456117 [0,0,0,2,0,0|1,0,0]=3 709 B15R2.305 CC1CCCCN1CC2CCC(=O)N2 Amb27599963 [0,0,0,2,0,0|2,0,0]=4 710 B15R2.1784 CCC1CCCCCC12CC(=O)CO2 Amb35718665 [0,0,0,2,0,0|2,0,0]=4 711 B15R2.1784 CCC1CCCCCC12CCC(=O)O2 Amb29865348 [0,0,0,2,0,0|0,0,0]=2 712 B15R2.1784 CCC1CCCCCC12CN=C(N)O2 Amb35671750 [0,0,0,2,0,0|2,0,0]=4 713 B15R2.1784 CCC1CCCCCC12CNC(=O)C2 Amb35671792 [0,0,0,2,0,0|2,0,0]=4 714 B15R2.1784 CCC1CCCCCC12CNC(=O)O2 Amb35734079 [0,0,0,2,0,0|1,0,0]=3 715 B15R2.1784 CCC1CCCCCC12COC(=O)N2 Amb35734077 [0,0,0,2,0,0|2,0,0]=4 716 B15R2.6885 CC1CCCCCN1C2CCC(=O)C2 Amb27262300 [0,0,0,2,0,0|2,0,0]=4 717 B15R2.6887 NC1=NCC(C2CCCCCCC2)O1 Amb28059324 [0,0,0,2,0,0|2,0,0]=4 718 B15R2.6887 O=C1COC(C2CCCCCCC2)C1 Amb35734237 [0,0,0,2,0,0|2,0,0]=4 719 B15R2.6887 O=C1NC(C2CCCCCCC2)CO1 Amb27466759 [0,0,0,2,0,0|2,0,0]=4 720 B15R2.6962 O=C1CC(CC2CCCCCC2)CN1 Amb28146456 [0,0,0,2,0,0|2,0,0]=4 721 B15R2.6962 O=C1CCN(CC2CCCCCC2)C1 Amb28193219 [0,0,0,2,0,0|2,0,0]=4 722 B15R2.6962 O=C1COC(CC2CCCCCC2)C1 Amb35717282 [0,0,0,2,0,0|2,0,0]=4 723 B15R2.6962 O=C1NC(CC2CCCCCC2)CO1 Amb27191590 [0,0,0,2,0,0|2,0,0]=4 724 B15R2.362 CC1COCCC12CNCC2C(=O)O Amb28199452 [0,0,0,2,0,0|2,0,0]=4 725 B15R2.1660 CC(=O)CCN1C[C@H]2CCCC[C@H]2C1 Amb27658394 [0,0,0,2,0,0|2,0,0]=4 726 B15R2.13611 O=C(O)C1CCCC2C(O)CCCC12 Amb28240378 [0,0,0,2,0,0|1,0,0]=3 727 B15R2.14896 CC1CCCCN1CC2CC2C(=O)O Amb33231052 [0,0,0,2,0,0|1,0,0]=3 728 B15R2.14896 CC1CNCCN1CC2CC2C(=O)O Amb33231188 [0,0,0,2,0,0|2,0,0]=4 729 B15R2.47728 O=C1CCCC[C@@]2(CCCC[C@@H]2O)C1 Amb27197487 [0,0,0,2,0,0|2,0,0]=4 730 B15R2.516 CC1CCCN1[C@@H]2CCC[C@@H]2C(=O)O Amb35659621 [0,0,0,2,0,0|1,0,0]=3 731 B15R2.516 CC1COCC1N2CCCC2C(=O)O Amb35632276 [0,0,0,2,0,0|2,0,0]=4 732 B15R2.13887 CC1COCC1NC2CCC2C(=O)O Amb35613697 [0,0,0,2,0,0|2,0,0]=4 733 B15R2.13887 CC1OCCC1SC2CCC2C(=O)O Amb27807764 [0,0,0,2,0,0|2,0,0]=4 734 B15R2.13887 CC1SCCC1NC2CCC2C(=O)O Amb27754425 [0,0,0,2,0,0|2,0,0]=4 735 B15R2.16416 O=C(O)CN1CCCN2CCCC2C1 Amb25676793 [0,0,0,2,0,0|2,0,0]=4 736 B15R2.42043 OC1CCCCCCCCCC2CC12 Amb2612868 [0,0,0,2,0,0|1,0,1]=4 737 B15R2.42043 O[C@@H]1CCCCCCCCC[C@@H]2C[C@@H]12 Amb27972562 [0,0,0,2,0,0|1,0,1]=4 738 B15R2.42043 O[C@@H]1CCCCCCCCC[C@H]2C[C@@H]21 Amb27432243 [0,0,0,2,0,0|1,0,1]=4 739 B15R2.187979 C1CCCCCC2(CCCCC1)CO2 Amb7094909 [0,0,0,2,0,0|1,0,1]=4 740 B15R2.465 C[C@@]1(O)CCCC[C@H]1C2CCCCC2 Amb35664244 [0,0,0,2,0,0|1,0,1]=4 741 B15R2.8883 CC1(O)CCCCC1CC2CCCC2 Amb35669065 [0,0,0,2,0,0|1,0,1]=4 742 B15R2.8883 C[C@@]1(O)CCCC[C@H]1CC2CCCC2 Amb35664243 [0,0,0,2,0,0|1,0,1]=4 743 B15R2.63 NC(=O)C1CCCN1C2CCCCC2 Amb28397399 [0,0,0,2,0,0|2,0,0]=4 744 B15R2.63 NC(=O)C1CNCC1C2CCCCC2 Amb27163476 [0,0,0,2,0,0|2,0,0]=4 745 B15R2.63 NC(=O)[C@H]1CNC[C@@H]1C2CCCCC2 Amb27945255 [0,0,0,2,0,0|2,0,0]=4 746 B15R2.63 O=C(O)C1CCCC1C2CCNCC2 Amb33620581 [0,0,0,2,0,0|1,0,0]=3 747 B15R2.63 O=C(O)C1CCCC1C2CCNCC2 Amb33746611 [0,0,0,2,0,0|1,0,0]=3 748 B15R2.63 O=C(O)C1CCCN1C2CCCCC2 Amb9300939 [0,0,0,2,0,0|1,0,0]=3 749 B15R2.63 O=C(O)C1CCCN1C2CCNCC2 Amb10609436 [0,0,0,2,0,0|2,0,0]=4 750 B15R2.63 O=C(O)C1CCCN1C2CCOCC2 Amb16230750 [0,0,0,2,0,0|2,0,0]=4 751 B15R2.63 O=C(O)C1CCCN1C2CCOCC2 Amb20669503 [0,0,0,2,0,0|2,0,0]=4 752 B15R2.63 O=C(O)C1CCCN1C2CCSCC2 Amb18769730 [0,0,0,2,0,0|2,0,0]=4 753 B15R2.63 O=C(O)C1CCOC1C2CCCCO2 Amb35638050 [0,0,0,2,0,0|2,0,0]=4 754 B15R2.63 O=C(O)C1CCOC1C2CCCOC2 Amb27403213 [0,0,0,2,0,0|2,0,0]=4 755 B15R2.63 O=C(O)C1CCOC1C2CCNCC2 Amb25038574 [0,0,0,2,0,0|2,0,0]=4 756 B15R2.63 O=C(O)C1CCOC1C2CCNCC2 Amb32660982 [0,0,0,2,0,0|2,0,0]=4 757 B15R2.63 O=C(O)C1CCOC1C2CCOCC2 Amb27238135 [0,0,0,2,0,0|2,0,0]=4 758 B15R2.63 O=C(O)C1CNCC1C2CCCCC2 Amb18812244 [0,0,0,2,0,0|1,0,0]=3 759 B15R2.63 O=C(O)C1CNCC1C2CCCCO2 Amb35587032 [0,0,0,2,0,0|2,0,0]=4 760 B15R2.63 O=C(O)C1CNCC1C2CCCCS2 Amb33470438 [0,0,0,2,0,0|2,0,0]=4 761 B15R2.63 O=C(O)C1CNCC1C2CCCOC2 Amb24526070 [0,0,0,2,0,0|2,0,0]=4 762 B15R2.63 O=C(O)C1CNCC1C2CCNCC2 Amb33231194 [0,0,0,2,0,0|2,0,0]=4 763 B15R2.63 O=C(O)C1CNCC1C2CCOCC2 Amb27409791 [0,0,0,2,0,0|2,0,0]=4 764 B15R2.63 O=C(O)C1NCCC1C2CCCCO2 Amb29875698 [0,0,0,2,0,0|2,0,0]=4 765 B15R2.63 O=C(O)C1NCCC1C2CCOCC2 Amb27223744 [0,0,0,2,0,0|2,0,0]=4 766 B15R2.63 O=C(O)[C@@H]1CCCN1C2CCNCC2 Amb22587503 [0,0,0,2,0,0|2,0,0]=4 767 B15R2.63 O=C(O)[C@@H]1CCCN1C2CCOCC2 Amb24182114 [0,0,0,2,0,0|2,0,0]=4 768 B15R2.63 O=C(O)[C@@H]1CCC[C@@H]1N2CCCCC2 Amb35659618 [0,0,0,2,0,0|1,0,0]=3 769 B15R2.63 O=C(O)[C@@H]1CCC[C@@H]1N2CCOCC2 Amb35659623 [0,0,0,2,0,0|2,0,0]=4 770 B15R2.63 O=C(O)[C@@H]1CCN[C@H]1C2CCCCC2 Amb18812230 [0,0,0,2,0,0|1,0,0]=3 771 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2CCNCC2 Amb24586110 [0,0,0,2,0,0|2,0,0]=4 772 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2CCNCC2 Amb28814170 [0,0,0,2,0,0|2,0,0]=4 773 B15R2.63 O=C(O)[C@@H]1CNC[C@H]1C2CCCCC2 Amb32992319 [0,0,0,2,0,0|1,0,0]=3 774 B15R2.571 CC1CCN1CC2CCCC2C(=O)O Amb27857706 [0,0,0,2,0,0|1,0,0]=3 775 B15R2.571 CC1CCN1C[C@@H]2CCC[C@@H]2C(=O)O Amb27822809 [0,0,0,2,0,0|1,0,0]=3 776 B15R2.1243 NC(=O)C1CCCC1NC2CCCC2 Amb32661841 [0,0,0,2,0,0|2,0,0]=4 777 B15R2.1243 NC(=O)[C@@H]1CCC[C@@H]1NC2CCCC2 Amb24647487 [0,0,0,2,0,0|2,0,0]=4 778 B15R2.1243 O=C(O)C1CCCC1CC2CC=CC2 Amb35630239 [0,0,0,2,0,0|0,0,2]=4 779 B15R2.1243 O=C(O)C1CCCC1CC2CCOC2 Amb27620950 [0,0,0,2,0,0|1,0,0]=3 780 B15R2.1243 O=C(O)C1CCCC1CN2CCCC2 Amb27463854 [0,0,0,2,0,0|1,0,0]=3 781 B15R2.1243 O=C(O)C1CCCC1NC2CCCC2 Amb21961737 [0,0,0,2,0,0|1,0,0]=3 782 B15R2.1243 O=C(O)[C@@H]1CCC[C@@H]1NC2CCCC2 Amb35659619 [0,0,0,2,0,0|1,0,0]=3 783 B15R2.1243 O=C(O)[C@@H]1NCC[C@H]1CN2CCCC2 Amb18811711 [0,0,0,2,0,0|2,0,0]=4 784 B15R2.1243 O=C(O)[C@H]1CCCN1CC2CCOC2 Amb27264883 [0,0,0,2,0,0|2,0,0]=4 785 B15R2.16385 O=C(O)C1CCOC12CCCCCC2 Amb32990692 [0,0,0,2,0,0|1,0,0]=3 786 B15R2.16385 O=C(O)C1CNCC12CCCOCC2 Amb25238042 [0,0,0,2,0,0|2,0,0]=4 787 B15R2.16147 O=C(O)CC1CCCCNC1C2CC2 Amb27831487 [0,0,0,2,0,0|1,0,0]=3 788 B15R2.16147 O=C(O)C[C@@H]1CCCCN[C@H]1C2CC2 Amb18812222 [0,0,0,2,0,0|1,0,0]=3 789 B15R2.16421 CC(=O)NC1CCC2CCCC1CC2 Amb27863964 [0,0,0,2,0,0|2,0,0]=4 790 B15R2.19812 CC(=O)NC1CCCC[C@H]2CCC[C@H]12 Amb27423083 [0,0,0,2,0,0|2,0,0]=4 791 B15R2.19812 O=C(O)CN1CCCOC2CCCC21 Amb27443486 [0,0,0,2,0,0|2,0,0]=4 792 B15R2.69020 O=C(O)C1CCCN2CCCCCC12 Amb27793285 [0,0,0,2,0,0|1,0,0]=3 793 B15R2.69020 O=C(O)C1CCCN2CCCCC[C@H]12 Amb18812238 [0,0,0,2,0,0|1,0,0]=3 794 B15R2.69020 O=C(O)C1CCC[C@H]2CCCCC[C@@H]12 Amb28052110 [0,0,0,2,0,0|0,0,0]=2 795 B15R2.69020 O=C(O)C1CCNC2CCCCCC21 Amb27808620 [0,0,0,2,0,0|1,0,0]=3 796 B15R2.69695 O=C(O)CN1CCNC2CCCC1C2 Amb26891583 [0,0,0,2,0,0|2,0,0]=4 797 B15R2.938 CC1CCN1C2CCCC2CC(=O)O Amb35716035 [0,0,0,2,0,0|1,0,0]=3 798 B15R2.938 CC1CCN1[C@@H]2CCC[C@H]2CC(=O)O Amb35715901 [0,0,0,2,0,0|1,0,0]=3 799 B15R2.68695 CC(=O)C1CCC2NCCCCC2C1 Amb27863682 [0,0,0,2,0,0|2,0,0]=4 800 B15R2.68695 NC(=O)[C@H]1CC[C@H]2CCCCC[C@@H]2C1 Amb28135304 [0,0,0,2,0,0|1,0,0]=3 801 B15R2.68695 O=C(O)C1CC[C@H]2CCCCC[C@H]2C1 Amb28052112 [0,0,0,2,0,0|0,0,0]=2 802 B15R2.83111 O=C(O)CC1CC2CCCCCN2C1 Amb27965575 [0,0,0,2,0,0|1,0,0]=3 803 B15R2.44196 O=C(O)CNC1CCN2CCCC1C2 Amb27648428 [0,0,0,2,0,0|2,0,0]=4 804 B15R2.62 O=C(O)C1CCCCC12CCCCC2 Amb33470350 [0,0,0,2,0,0|0,0,0]=2 805 B15R2.62 O=C(O)C1CCCCC12CCNCC2 Amb32683476 [0,0,0,2,0,0|1,0,0]=3 806 B15R2.62 O=C(O)C1CCCCC12CCOCC2 Amb32946756 [0,0,0,2,0,0|1,0,0]=3 807 B15R2.62 O=C(O)C1CCCCC12CCSCC2 Amb32946752 [0,0,0,2,0,0|1,0,0]=3 808 B15R2.62 O=C(O)C1CCOCC12CCCCC2 Amb18811773 [0,0,0,2,0,0|1,0,0]=3 809 B15R2.62 O=C(O)C1CNCCC12CCOCC2 Amb33733633 [0,0,0,2,0,0|2,0,0]=4 810 B15R2.62 O=C(O)C1CNCCC12CCOCC2 Amb33741925 [0,0,0,2,0,0|2,0,0]=4 811 B15R2.111 O=C(Cl)NC1CCCC12CCCCC2 Amb35633447 [0,0,0,2,0,0|2,0,0]=4 812 B15R2.111 O=C(O)CC1CCCC12CCCOC2 Amb33494116 [0,0,0,2,0,0|1,0,0]=3 813 B15R2.543 N=C1CCCCC(C2CCCCC2)N1 Amb27444091 [0,0,0,2,0,0|2,0,0]=4 814 B15R2.543 O=C1C=C(C2CCCCC2)CCCC1 Amb27813000 [0,0,0,2,0,0|1,0,1]=4 815 B15R2.543 O=C1CCCCC(C2CCCCC2)C1 Amb27447746 [0,0,0,2,0,0|1,0,0]=3 816 B15R2.543 O=C1CCCCC(C2CCOCC2)C1 Amb27494315 [0,0,0,2,0,0|2,0,0]=4 817 B15R2.1220 O=C(O)C1CC1CCN2CCOCC2 Amb33320405 [0,0,0,2,0,0|2,0,0]=4 818 B15R2.1220 O=C(O)[C@@H]1C[C@H]1CCN2CCOCC2 Amb33320328 [0,0,0,2,0,0|2,0,0]=4 819 B15R2.1241 O=C(O)C1CCC1CC2CC=CCC2 Amb35714548 [0,0,0,2,0,0|0,0,2]=4 820 B15R2.1241 O=C(O)C1CCC1NC2CCCSC2 Amb27628509 [0,0,0,2,0,0|2,0,0]=4 821 B15R2.1241 O=C(O)C1CCC1NC2CCOCC2 Amb27951987 [0,0,0,2,0,0|2,0,0]=4 822 B15R2.1658 NC(=O)CNC1CCC12CCCCC2 Amb27198596 [0,0,0,2,0,0|2,0,0]=4 823 B15R2.1658 O=C(O)CNC1CCC12CCCCC2 Amb30026096 [0,0,0,2,0,0|1,0,0]=3 824 B15R2.1658 O=C(O)CSC1CCC12CCCCC2 Amb28364593 [0,0,0,2,0,0|1,0,0]=3 825 B15R2.16168 O=C(O)CCC1CCC2CCN1CC2 Amb28118954 [0,0,0,2,0,0|1,0,0]=3 826 B15R2.68122 NC(=O)CN1CCC[C@@H]2CCCC[C@@H]21 Amb28137076 [0,0,0,2,0,0|2,0,0]=4 827 B15R2.68122 O=C(O)CC1CCCC2CCCCC21 Amb26987289 [0,0,0,2,0,0|0,0,0]=2 828 B15R2.68122 O=C(O)CC1CCCN2CCCCC12 Amb18812220 [0,0,0,2,0,0|1,0,0]=3 829 B15R2.68122 O=C(O)CC1CCCN2CCSCC12 Amb18170845 [0,0,0,2,0,0|2,0,0]=4 830 B15R2.68122 O=C(O)CC1CCC[C@H]2CCCC[C@@H]12 Amb27488693 [0,0,0,2,0,0|0,0,0]=2 831 B15R2.68122 O=C(O)CC1CCOC2CCCCC12 Amb18188030 [0,0,0,2,0,0|1,0,0]=3 832 B15R2.68122 O=C(O)CC1CCOC2CCOCC12 Amb18810794 [0,0,0,2,0,0|2,0,0]=4 833 B15R2.68122 O=C(O)CC1CCOC2CCSCC12 Amb18170337 [0,0,0,2,0,0|2,0,0]=4 834 B15R2.68122 O=C(O)CC1COCC2CCCCN21 Amb18811228 [0,0,0,2,0,0|2,0,0]=4 835 B15R2.68122 O=C(O)CC1NCCC2CCCCC21 Amb28121129 [0,0,0,2,0,0|1,0,0]=3 836 B15R2.68122 O=C(O)CN1CCSC2CCCCC21 Amb26957676 [0,0,0,2,0,0|2,0,0]=4 837 B15R2.68122 O=C(O)CN1CCSC2CCCCC21 Amb27763145 [0,0,0,2,0,0|2,0,0]=4 838 B15R2.68122 O=C(O)C[C@@H]1CCC[C@@H]2CCCC[C@@H]21 Amb27433967 [0,0,0,2,0,0|0,0,0]=2 839 B15R2.68122 O=C(O)C[C@@H]1CCC[C@H]2CCCC[C@H]12 Amb27233520 [0,0,0,2,0,0|0,0,0]=2 840 B15R2.68122 O=C(O)C[C@H]1CCCN2CCCC[C@H]12 Amb27845483 [0,0,0,2,0,0|1,0,0]=3 841 B15R2.110 O=C(Cl)NC1CCCCC12CCCC2 Amb35633382 [0,0,0,2,0,0|2,0,0]=4 842 B15R2.110 O=C(O)CC1CCOCC12CCOC2 Amb18810796 [0,0,0,2,0,0|2,0,0]=4 843 B15R2.110 O=C(O)CC1CCOCC12CCSC2 Amb18170373 [0,0,0,2,0,0|2,0,0]=4 844 B15R2.110 O=C(O)CC1CCSCC12CCOC2 Amb18170363 [0,0,0,2,0,0|2,0,0]=4 845 B15R2.110 O=C(O)C[C@@H]1CCCC[C@@]12CCOC2 Amb28457432 [0,0,0,2,0,0|1,0,0]=3 846 B15R2.417 NC(=O)CNC1CCCC12CCCC2 Amb27232310 [0,0,0,2,0,0|2,0,0]=4 847 B15R2.417 O=C(O)CCN1CCCC12CCOC2 Amb27804465 [0,0,0,2,0,0|2,0,0]=4 848 B15R2.417 O=C(O)CNC1CCCC12CCCC2 Amb27205503 [0,0,0,2,0,0|1,0,0]=3 849 B15R2.1221 O=C(O)C1CCCCC1C2CCCO2 Amb26926105 [0,0,0,2,0,0|1,0,0]=3 850 B15R2.1221 O=C(O)C1CCCCC1C2CCSC2 Amb35704946 [0,0,0,2,0,0|1,0,0]=3 851 B15R2.1221 O=C(O)C1CCCCC1N2CCCC2 Amb18967365 [0,0,0,2,0,0|1,0,0]=3 852 B15R2.1221 O=C(O)C1CCCCN1C2CCCC2 Amb28653099 [0,0,0,2,0,0|1,0,0]=3 853 B15R2.1221 O=C(O)C1CCCCN1C2CCCC2 Amb9299666 [0,0,0,2,0,0|1,0,0]=3 854 B15R2.1221 O=C(O)C1CCCCN1C2CCNC2 Amb35745047 [0,0,0,2,0,0|2,0,0]=4 855 B15R2.1221 O=C(O)C1CCCNC1C2CCCC2 Amb27972246 [0,0,0,2,0,0|1,0,0]=3 856 B15R2.1221 O=C(O)C1CNCCC1C2CCCC2 Amb18812215 [0,0,0,2,0,0|1,0,0]=3 857 B15R2.1221 O=C(O)C1CNCCC1C2CCOC2 Amb18811224 [0,0,0,2,0,0|2,0,0]=4 858 B15R2.1221 O=C(O)C1CNCCC1C2CCSC2 Amb18170815 [0,0,0,2,0,0|2,0,0]=4 859 B15R2.1221 O=C(O)C1CNCCC1N2CCCC2 Amb18811765 [0,0,0,2,0,0|2,0,0]=4 860 B15R2.1221 O=C(O)C1COCCN1C2CCCC2 Amb28653233 [0,0,0,2,0,0|2,0,0]=4 861 B15R2.1221 O=C(O)[C@H]1CCCC[C@@H]1N2CCCC2 Amb27442833 [0,0,0,2,0,0|1,0,0]=3 862 B15R2.1253 CC(=O)NC1CCCC1C2CCCC2 Amb24559207 [0,0,0,2,0,0|2,0,0]=4 863 B15R2.1253 CC(=O)N[C@H]1CCC[C@H]1C2CCCC2 Amb27268579 [0,0,0,2,0,0|2,0,0]=4 864 B15R2.1253 CC(=O)OC1CCCC1C2CCCC2 Amb26444627 [0,0,0,2,0,0|2,0,0]=4 865 B15R2.1253 NC(=O)CN1CCCC1C2CCCC2 Amb19053515 [0,0,0,2,0,0|2,0,0]=4 866 B15R2.1253 O=C(O)CC1CCCC1N2CCCC2 Amb18812251 [0,0,0,2,0,0|1,0,0]=3 867 B15R2.1253 O=C(O)CC1CCCN1C2CCCC2 Amb18977158 [0,0,0,2,0,0|1,0,0]=3 868 B15R2.1253 O=C(O)CC1COCC1N2CCCC2 Amb18187712 [0,0,0,2,0,0|2,0,0]=4 869 B15R2.1253 O=C(O)CC1CSCC1N2CCCC2 Amb18170837 [0,0,0,2,0,0|2,0,0]=4 870 B15R2.1253 O=C(O)C[C@@H]1CCC[C@H]1N2CCCC2 Amb35715900 [0,0,0,2,0,0|1,0,0]=3 871 B15R2.19753 O=C(O)CCN1CCCC2CCCC21 Amb27816956 [0,0,0,2,0,0|1,0,0]=3 872 B15R2.19753 O=C(O)CCN1CCCC2COCC21 Amb30029067 [0,0,0,2,0,0|2,0,0]=4 873 B15R2.19753 O=C(O)CCN1CCOC2CCCC21 Amb18980766 [0,0,0,2,0,0|2,0,0]=4 874 B15R2.984 O=C(O)C1CC2CCCCC2CC1O Amb27858877 [0,0,0,2,0,0|1,0,0]=3 875 B15R2.984 O=C(O)[C@H]1C[C@H]2CCCCC2C[C@@H]1O Amb28436898 [0,0,0,2,0,0|1,0,0]=3 876 B15R2.993 CC1CC2CCCCC2N1CC(=O)O Amb28291828 [0,0,0,2,0,0|1,0,0]=3 877 B15R2.4190 CCN1C(C(=O)O)CC2CCCCC21 Amb28078311 [0,0,0,2,0,0|1,0,0]=3 878 B15R2.82782 O=C(O)CCN1C2CCCC1COC2 Amb27981568 [0,0,0,2,0,0|2,0,0]=4 879 B15R2.964 CC1CN2CCCC2CN1CC(=O)O Amb24445728 [0,0,0,2,0,0|2,0,0]=4 880 B15R2.82866 O=C(O)CCCC12CCC[C@H]1OCC2 Amb33447719 [0,0,0,2,0,0|1,0,0]=3 881 B15R2.67715 O=C(O)C12CCCCCC1CCCC2 Amb27404350 [0,0,0,2,0,0|0,0,0]=2 882 B15R2.67715 O=C(O)[C@@]12CC=CC[C@@H]1CCCCC2 Amb28057541 [0,0,0,2,0,0|0,0,2]=4 883 B15R2.69067 O=C(O)C1CCCCCN1C2COC2 Amb35694446 [0,0,0,2,0,0|2,0,0]=4 884 B15R2.1162 CC1C=CC2CCCCC2C1C(=O)O Amb28422442 [0,0,0,2,0,0|0,0,2]=4 885 B15R2.1162 CC1CC=C2CCCCC2C1C(=O)O Amb27225573 [0,0,0,2,0,0|0,0,2]=4 886 B15R2.1162 CC1NCC2CCCCN2C1C(=O)O Amb18811723 [0,0,0,2,0,0|2,0,0]=4 887 B15R2.1162 C[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C(=O)O Amb27232801 [0,0,0,2,0,0|0,0,2]=4 888 B15R2.1162 NC1CCN2CCCCC2C1C(=O)O Amb18811713 [0,0,0,2,0,0|2,0,0]=4 889 B15R2.1425 CCCCN1C2CCCC1CC(=O)C2 Amb19064046 [0,0,0,2,0,0|2,0,0]=4 890 B15R2.19826 O=C(O)CC1CCCCN1C2CCC2 Amb28074551 [0,0,0,2,0,0|1,0,0]=3 891 B15R2.19826 O=C(O)CC1CCCCN1C2COC2 Amb35694427 [0,0,0,2,0,0|2,0,0]=4 892 B15R2.19826 O=C(O)CC1CSCCN1C2CCC2 Amb27233159 [0,0,0,2,0,0|2,0,0]=4 893 B15R2.50423 O=C(O)C[C@@]12CCCC[C@@H]1CCC2=O Amb27632412 [0,0,0,2,0,0|1,0,1]=4 894 B15R2.69618 CC(=O)NC12CCCCC1CCCC2 Amb28042872 [0,0,0,2,0,0|2,0,0]=4 895 B15R2.69618 NC(=O)CC12CCCCC1CCCC2 Amb28119883 [0,0,0,2,0,0|1,0,0]=3 896 B15R2.69618 O=C(O)C[C@]12CCCC[C@H]1NCCC2 Amb35788232 [0,0,0,2,0,0|1,0,0]=3 897 B15R2.69618 O=C(O)C[C@]12CCCC[C@H]1NCCC2 Amb35789145 [0,0,0,2,0,0|1,0,0]=3 898 B15R2.7192 CC1NCC2CCCN2C1CC(=O)O Amb18811728 [0,0,0,2,0,0|2,0,0]=4 899 B15R2.83023 O=C(O)CC1CCN2CCCCCC12 Amb18812221 [0,0,0,2,0,0|1,0,0]=3 900 B15R2.87196 CCC1CCCCCC12CC2C(=O)O Amb35725673 [0,0,0,2,0,0|0,0,0]=2 901 B15R2.20799 COC1CCCC2CCCCC(=O)C21 Amb4006867 [0,0,0,2,0,0|2,0,0]=4 902 B15R2.20284 O=C1CCCCCC(C2CC2CO)O1 Amb28190267 [0,0,0,2,0,0|1,0,0]=3 903 B15R2.20284 O=CC1CC1C2CCCCCC(=O)O2 Amb28121234 [0,0,0,2,0,0|1,0,1]=4 904 B15R2.16320 O=C(O)C1COCCN1CC2CCC2 Amb27869775 [0,0,0,2,0,0|2,0,0]=4 905 B15R2.16320 O=C(O)C1COCCN1CC2CCC2 Amb33550713 [0,0,0,2,0,0|2,0,0]=4 906 B15R2.4255 CC\C=C\CC1C2CCC1OC(=O)C2 Amb28071392 [0,0,0,2,0,0|0,0,2]=4 907 B15R2.4370 O=C(O)C1C2CCCC2CN1CCF Amb28348083 [0,0,0,2,0,0|2,0,0]=4 908 B15R2.82790 O=C(O)CCC1C2CCC=CCCC21 Amb27607770 [0,0,0,2,0,0|0,0,2]=4 909 B15R2.67682 O=C(O)C1CC1C2CCCCCCC2 Amb28140080 [0,0,0,2,0,0|0,0,0]=2 910 B15R2.106506 N#C[C@@H]1[C@H]2CCCCCC[C@@]12C(=O)O Amb28325621 [0,0,0,2,0,0|1,0,1]=4 911 B15R2.69054 O=C(O)C1CCC1C2CCCCCC2 Amb28062027 [0,0,0,2,0,0|0,0,0]=2 912 B15R2.69054 O=C(O)C1CCN1C2CCCCCC2 Amb29860444 [0,0,0,2,0,0|1,0,0]=3 913 B15R2.67916 O=C(Cl)C1C2CCCCCCCCC21 Amb28241030 [0,0,0,2,0,0|1,0,0]=3