0 B10R0.91 C#CCCNC(=O)CCC=C Amb21942372 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.91 C#CCNC(=O)CCCCC Amb18182853 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.91 C#CCOC(=O)NCCCC Amb22002306 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.91 C=CC#CC(O)CCCCC Amb28080011 [0,0,0,0,0,0|1,0,3]=4 4 B10R0.91 C=CCOC(=O)CCCCC Amb8384545 [0,0,0,0,0,0|0,0,0]=0 5 B10R0.91 C=CCOC(=O)NCCCO Amb22348072 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.91 C=CCOC(=O)NCCNC Amb2725036 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.91 CCCCCC(=O)C#CC=O Amb28080210 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.91 CCCCCC(=O)OCCBr Amb33276536 [0,0,0,0,0,0|1,0,1]=2 9 B10R0.91 CCCCCC(=O)OCCC Amb9242901 [0,0,0,0,0,0|0,0,2]=2 10 B10R0.91 CCCCNC(=O)CCCCl Amb6250139 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.91 CCCCOC(=O)CCCBr Amb22739641 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.91 CCCCOC(=O)CCCC Amb22002434 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.91 CCCCOC(=O)CCCCl Amb2778421 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.91 CCCCOC(=O)NCCCl Amb24103359 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.91 CCCCOC(=O)NCCS Amb33804067 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.91 CCCNCC(=O)NCCC Amb6714453 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.91 CCCOCC(=O)OCCBr Amb33048394 [0,0,0,0,0,0|2,0,1]=3 18 B10R0.91 CCOCCC(=O)OCCBr Amb33050474 [0,0,0,0,0,0|2,0,1]=3 19 B10R0.91 CCSCCC(=O)NCCN Amb17503827 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.91 COCCCC(=O)OCCBr Amb33051838 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.5 C#CCC(=O)CCCNC Amb28196973 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.5 C#CCC(=O)CCCOC Amb27244928 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.5 C#CCCCC(=O)CC=C Amb27770500 [1,0,0,0,0,0|0,0,2]=3 24 B9R0.5 C#CCCCC(=O)OCC Amb18115788 [1,0,0,0,0,0|0,0,3]=4 25 B9R0.5 C#CCCNC(=O)CC=C Amb27770346 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.5 C#CCNCC(=O)CC=C Amb28120652 [1,0,0,0,0,0|1,0,2]=4 27 B9R0.5 C=CCC(=O)CCC#CC Amb27770499 [1,0,0,0,0,0|0,0,2]=3 28 B9R0.5 C=CCC(=O)CCCC#N Amb27614843 [1,0,0,0,0,0|1,0,1]=3 29 B9R0.5 C=CCC(=O)CCCCCl Amb27254167 [1,0,0,0,0,0|1,0,0]=2 30 B9R0.5 C=CCC(=O)CCCCN Amb27251890 [1,0,0,0,0,0|1,0,0]=2 31 B9R0.5 C=CCC(=O)CCCNC Amb27196074 [1,0,0,0,0,0|1,0,0]=2 32 B9R0.5 C=CCC(=O)CNCCC Amb27190835 [1,0,0,0,0,0|1,0,0]=2 33 B9R0.5 C=CCC(=O)COCCC Amb28457139 [1,0,0,0,0,0|1,0,0]=2 34 B9R0.5 C=CCC(=O)NCCCN Amb27628630 [1,0,0,0,0,0|2,0,0]=3 35 B9R0.5 C=CCC(=O)OCCCC Amb28049467 [1,0,0,0,0,0|1,0,0]=2 36 B9R0.5 C=CCC(=O)OCCSC Amb28365396 [1,0,0,0,0,0|2,0,0]=3 37 B9R0.5 C=CCC(=O)OC\C=C\C Amb27430898 [1,0,0,0,0,0|1,0,2]=4 38 B9R0.5 C=CCC(Cl)CCOCC Amb27855969 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.5 C=CCC(N)CCCCF Amb28139176 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.5 C=CCC(N)CSCCC Amb27763084 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.5 C=CCC(O)CCCCO Amb27839188 [1,0,0,0,0,0|1,0,2]=4 42 B9R0.5 C=CCC(O)CCCOC Amb27653229 [1,0,0,0,0,0|1,0,2]=4 43 B9R0.5 C=CCC(O)CCOCC Amb27756800 [1,0,0,0,0,0|1,0,2]=4 44 B9R0.5 C=CCC(O)CNCCC Amb28049702 [1,0,0,0,0,0|1,0,2]=4 45 B9R0.5 C=CCN(C)CCCCF Amb27970730 [1,0,0,0,0,0|3,0,0]=4 46 B9R0.5 C=CCN(C)CCCNC Amb27169405 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.5 C=CCN(C)CCNCC Amb25354291 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.5 C=CCN(C)CCNCC Amb28895972 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.5 C=CCS(=O)CCCNC Amb27185646 [1,0,0,0,0,0|2,0,0]=3 50 B9R0.5 C=CC[C@H](O)CCCCC Amb27839428 [1,0,0,0,0,0|0,0,2]=3 51 B9R0.5 C=CC[C@H](O)CCCNC Amb27596136 [1,0,0,0,0,0|1,0,2]=4 52 B9R0.5 C=COC(=O)OCCCO Amb27833648 [1,0,0,0,0,0|2,0,0]=3 53 B9R0.5 C=COC(O)CCCCC Amb26392164 [1,0,0,0,0,0|0,0,2]=3 54 B9R0.5 C=C\C=C(\C)CCCCN Amb27466086 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.5 CCCC#CC(=O)OCC Amb2721493 [1,0,0,0,0,0|0,0,3]=4 56 B9R0.5 CCCC(=O)CCCCN Amb28058184 [1,0,0,0,0,0|1,0,2]=4 57 B9R0.5 CCCC(=O)CCCSC Amb27758287 [1,0,0,0,0,0|1,0,2]=4 58 B9R0.5 CCCCCC(=O)CCC Amb2720457 [1,0,0,0,0,0|0,0,2]=3 59 B9R0.5 CCCCCC(=O)CCO Amb27627789 [1,0,0,0,0,0|1,0,1]=3 60 B9R0.5 CCCCCC(=O)COC Amb27171123 [1,0,0,0,0,0|1,0,1]=3 61 B9R0.5 CCCCCC(=O)NC#N Amb28204647 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.5 CCCCCC(=O)NCC Amb3373540 [1,0,0,0,0,0|1,0,1]=3 63 B9R0.5 CCCCCC(=O)\C=C\Cl Amb26411947 [1,0,0,0,0,0|1,0,1]=3 64 B9R0.5 CCCCCC(=O)\C=C\I Amb26013833 [1,0,0,0,0,0|1,0,1]=3 65 B9R0.5 CCCCCC(C)CC=O Amb21953169 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.5 CCCCCC(S)CC=O Amb27424790 [1,0,0,0,0,0|1,1,1]=4 67 B9R0.5 CCCCCS(=O)CCN Amb27954729 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.5 CCCCC\C(C)=C\C=O Amb27841277 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.5 CCCCC\C(Cl)=C\CCl Amb27749688 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.5 CCCCC\C(I)=C\CO Amb4017430 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.5 CCCCNC(=O)CC#N Amb1203319 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.5 CCCCNC(=O)CCBr Amb17330970 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.5 CCCCNC(=O)CCC Amb5797594 [1,0,0,0,0,0|1,0,2]=4 74 B9R0.5 CCCCNC(=O)CCCl Amb6248093 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.5 CCCCNC(=O)CCN Amb5784977 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.5 CCCCNC(=O)CNC Amb6280977 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.5 CCCCNC(=O)CSC Amb27877947 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.5 CCCCNC(=O)NCC Amb4018863 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.5 CCCCNC(=O)OCC Amb10552892 [1,0,0,0,0,0|1,0,1]=3 80 B9R0.5 CCCCNC(=S)OCC Amb27235690 [1,0,0,0,0,0|1,1,1]=4 81 B9R0.5 CCCCOC(=O)CC#N Amb8383765 [1,0,0,0,0,0|2,0,1]=4 82 B9R0.5 CCCCOC(=O)CCCl Amb2722788 [1,0,0,0,0,0|2,0,1]=4 83 B9R0.5 CCCCOC(=O)CCO Amb27211287 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.5 CCCCOC(=O)CCS Amb8516995 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.5 CCCCOC(=O)CNN Amb27768106 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.5 CCCCOC(=O)COC Amb20620642 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.5 CCCCOC(=O)CON Amb25691107 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.5 CCCCOC(=O)NCC Amb27412996 [1,0,0,0,0,0|2,0,1]=4 89 B9R0.5 CCCCOC(=O)OCCl Amb26509700 [1,0,0,0,0,0|2,0,0]=3 90 B9R0.5 CCCCSC(=O)NCC Amb27462695 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.5 CCCNCC(=O)OCC Amb6714488 [1,0,0,0,0,0|1,0,1]=3 92 B9R0.5 CCCOCC(=N)OCC Amb27399250 [1,0,0,0,0,0|2,0,1]=4 93 B9R0.5 CCCSCC(=O)CCC Amb18800477 [1,0,0,0,0,0|1,0,2]=4 94 B9R0.5 CCNC(=O)CCCCBr Amb17239684 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.5 CCNC(=O)CCCNC Amb28126927 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.5 CCNC(=O)CCCOC Amb27179856 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.5 CCNCCC(=O)OCC Amb9026175 [1,0,0,0,0,0|1,0,1]=3 98 B9R0.5 CCOC(=N)CCCCBr Amb25890174 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.5 CCOC(=N)CCCCCl Amb26392208 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.5 CCOC(=N)CCCOC Amb28141924 [1,0,0,0,0,0|2,0,1]=4 101 B9R0.5 CCOC(=O)CCCC#N Amb16233123 [1,0,0,0,0,0|1,0,2]=4 102 B9R0.5 CCOC(=O)CCCC=O Amb22230665 [1,0,0,0,0,0|1,0,2]=4 103 B9R0.5 CCOC(=O)CCCCBr Amb3940221 [1,0,0,0,0,0|1,0,1]=3 104 B9R0.5 CCOC(=O)CCCCI Amb4006406 [1,0,0,0,0,0|1,0,1]=3 105 B9R0.5 CCOC(=O)CCCCN Amb10807401 [1,0,0,0,0,0|1,0,1]=3 106 B9R0.5 CCOC(=O)CCCCN Amb33527726 [1,0,0,0,0,0|1,0,1]=3 107 B9R0.5 CCOC(=O)CCCNC Amb9204023 [1,0,0,0,0,0|1,0,1]=3 108 B9R0.5 CCOC(=O)CCCOC Amb27837737 [1,0,0,0,0,0|1,0,1]=3 109 B9R0.5 CCOC(=O)CCCSC Amb25058939 [1,0,0,0,0,0|1,0,1]=3 110 B9R0.5 CCOC(=O)CCNOC Amb27838886 [1,0,0,0,0,0|2,0,1]=4 111 B9R0.5 CCOC(=O)CCSCC Amb9026307 [1,0,0,0,0,0|1,0,1]=3 112 B9R0.5 CCOC(=O)CNCCF Amb27754664 [1,0,0,0,0,0|2,0,1]=4 113 B9R0.5 CCOC(=O)CNCCN Amb30868135 [1,0,0,0,0,0|2,0,1]=4 114 B9R0.5 CCOC(=O)COCCBr Amb8394720 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.5 CCOC(=O)COCCCl Amb19958740 [1,0,0,0,0,0|2,0,1]=4 116 B9R0.5 CCOC(=O)COCCN Amb25850783 [1,0,0,0,0,0|2,0,1]=4 117 B9R0.5 CCOC(=O)COCCN Amb28555601 [1,0,0,0,0,0|2,0,1]=4 118 B9R0.5 CCOC(=O)COCCO Amb24113532 [1,0,0,0,0,0|2,0,1]=4 119 B9R0.5 CCOC(=O)COCOC Amb27624738 [1,0,0,0,0,0|2,0,1]=4 120 B9R0.5 CCOC(=O)CSCSC Amb28144787 [1,0,0,0,0,0|2,0,1]=4 121 B9R0.5 CCOC(=O)NCCCF Amb27770329 [1,0,0,0,0,0|2,0,1]=4 122 B9R0.5 CCOC(=O)NCCNC Amb28126929 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.5 CCOC(=O)OCCCBr Amb27231554 [1,0,0,0,0,0|2,0,1]=4 124 B9R0.5 CCOC(=O)OCCCCl Amb27594095 [1,0,0,0,0,0|2,0,1]=4 125 B9R0.5 CCOC(=O)OCCCF Amb24088656 [1,0,0,0,0,0|2,0,1]=4 126 B9R0.5 CCOC(=O)OCCCO Amb28050600 [1,0,0,0,0,0|2,0,1]=4 127 B9R0.5 CCOCCC(=O)CCCl Amb27214166 [1,0,0,0,0,0|2,0,1]=4 128 B9R0.5 CCOCCC(=O)COC Amb27246058 [1,0,0,0,0,0|2,0,1]=4 129 B9R0.5 CCOCCC(=O)OCC Amb6608774 [1,0,0,0,0,0|1,0,1]=3 130 B9R0.5 CCOCCC(=O)ONN Amb28423241 [1,0,0,0,0,0|3,0,0]=4 131 B9R0.5 CC\C=C(/C)CCCCC Amb27666327 [1,0,0,0,0,0|2,0,1]=4 132 B9R0.5 COCC(=O)CCCCN Amb28050471 [1,0,0,0,0,0|2,0,1]=4 133 B9R0.5 COCCCC(=O)CC#N Amb28242340 [1,0,0,0,0,0|2,0,1]=4 134 B9R0.5 COCCCS(=O)CC=O Amb27830933 [1,0,0,0,0,0|3,0,0]=4 135 B9R0.5 COCCOC(=O)OCCl Amb28314274 [1,0,0,0,0,0|3,0,0]=4 136 B9R0.5 C\C=C\C(=O)CCCCC Amb25146367 [1,0,0,0,0,0|0,0,2]=3 137 B9R0.5 C\C=C\C(=O)CCCCF Amb27652289 [1,0,0,0,0,0|1,0,2]=4 138 B9R0.5 C\C=C\C(=O)CCCOC Amb27235499 [1,0,0,0,0,0|1,0,2]=4 139 B9R0.5 C\C=C\C(=O)COCCC Amb28312884 [1,0,0,0,0,0|1,0,2]=4 140 B9R0.5 C\C=C\C(=O)NCCCC Amb27474050 [1,0,0,0,0,0|1,0,2]=4 141 B9R0.5 C\C=C\C(=O)OCCCC Amb17940289 [1,0,0,0,0,0|1,0,2]=4 142 B9R0.5 O=NOC(=O)CCCCCl Amb27214641 [1,0,0,0,0,0|3,0,0]=4 143 B9R0.5 [C-]#[N+]CCCC(=O)OCC Amb2235706 [1,0,0,0,0,0|1,0,2]=4 144 B9R0.18 C#CCCC(=O)CCC=C Amb27828872 [1,0,0,0,0,0|1,0,2]=4 145 B9R0.18 C#CCNC(=O)OCC=C Amb26318659 [1,0,0,0,0,0|1,0,2]=4 146 B9R0.18 C#CCOC(=O)CCSC Amb28197453 [1,0,0,0,0,0|1,0,2]=4 147 B9R0.18 C=CCCC(=O)CCC=C Amb25372884 [1,0,0,0,0,0|1,0,2]=4 148 B9R0.18 C=CCCC(=O)CCC=O Amb27792102 [1,0,0,0,0,0|2,0,1]=4 149 B9R0.18 C=CCCC(=O)CCCO Amb28049909 [1,0,0,0,0,0|2,0,0]=3 150 B9R0.18 C=CCCC(=O)CCOC Amb28126720 [1,0,0,0,0,0|2,0,0]=3 151 B9R0.18 C=CCCC(=O)C\C=C\C Amb26987246 [1,0,0,0,0,0|1,0,2]=4 152 B9R0.18 C=CCCC(=O)NCC=C Amb27226174 [1,0,0,0,0,0|1,0,2]=4 153 B9R0.18 C=CCCC(=O)NCCF Amb27977406 [1,0,0,0,0,0|3,0,0]=4 154 B9R0.18 C=CCCC(=O)NCCO Amb27751178 [1,0,0,0,0,0|3,0,0]=4 155 B9R0.18 C=CCCC(=O)NOCC Amb28315974 [1,0,0,0,0,0|3,0,0]=4 156 B9R0.18 C=CCCC(=O)OCCBr Amb27623652 [1,0,0,0,0,0|3,0,0]=4 157 B9R0.18 C=CCNC(=N)NCCC Amb28062685 [1,0,0,0,0,0|3,0,0]=4 158 B9R0.18 C=CCNC(=O)CCC#N Amb17334163 [1,0,0,0,0,0|2,0,1]=4 159 B9R0.18 C=CCNC(=O)CCC=O Amb27979289 [1,0,0,0,0,0|2,0,1]=4 160 B9R0.18 C=CCNC(=O)CCCS Amb27614996 [1,0,0,0,0,0|2,0,0]=3 161 B9R0.18 C=CCNC(=O)CCSC Amb28422151 [1,0,0,0,0,0|2,0,0]=3 162 B9R0.18 C=CCNC(=O)CSCC Amb27752733 [1,0,0,0,0,0|2,0,0]=3 163 B9R0.18 C=CCNC(=O)NCCC Amb8467181 [1,0,0,0,0,0|2,0,0]=3 164 B9R0.18 C=CCNC(=O)NCCF Amb27455743 [1,0,0,0,0,0|3,0,0]=4 165 B9R0.18 C=CCNC(=O)NCCN Amb17231969 [1,0,0,0,0,0|3,0,0]=4 166 B9R0.18 C=CCNC(=O)NCSC Amb28245788 [1,0,0,0,0,0|3,0,0]=4 167 B9R0.18 C=CCNC(=O)OCC=C Amb25359097 [1,0,0,0,0,0|1,0,2]=4 168 B9R0.18 C=CCNC(=O)OCCCl Amb27815041 [1,0,0,0,0,0|3,0,0]=4 169 B9R0.18 C=CCNC(=O)OCCF Amb27398028 [1,0,0,0,0,0|3,0,0]=4 170 B9R0.18 C=CCNC(=O)OCCS Amb27864806 [1,0,0,0,0,0|3,0,0]=4 171 B9R0.18 C=CCNC(=O)\C=C\CC Amb27977640 [1,0,0,0,0,0|1,0,2]=4 172 B9R0.18 C=CCNC(=S)NCCC Amb4351748 [1,0,0,0,0,0|2,1,0]=4 173 B9R0.18 C=CCOC(=O)C#CCO Amb27807344 [1,0,0,0,0,0|1,0,2]=4 174 B9R0.18 C=CCOC(=O)CCCBr Amb22049553 [1,0,0,0,0,0|1,0,0]=2 175 B9R0.18 C=CCOC(=O)CCCN Amb24452753 [1,0,0,0,0,0|1,0,0]=2 176 B9R0.18 C=CCOC(=O)CCSC Amb28280157 [1,0,0,0,0,0|1,0,0]=2 177 B9R0.18 C=CCOC(=O)COCC Amb27262229 [1,0,0,0,0,0|1,0,0]=2 178 B9R0.18 C=CCOC(=O)NCCC Amb27259611 [1,0,0,0,0,0|1,0,0]=2 179 B9R0.18 C=CCOC(=O)NCCCl Amb27868362 [1,0,0,0,0,0|2,0,0]=3 180 B9R0.18 C=CCOC(=O)NCCN Amb22348049 [1,0,0,0,0,0|2,0,0]=3 181 B9R0.18 C=CCOC(=O)NCCN Amb2725035 [1,0,0,0,0,0|2,0,0]=3 182 B9R0.18 C=CCOC(=O)NCCO Amb22348078 [1,0,0,0,0,0|2,0,0]=3 183 B9R0.18 C=CCOC(=O)NCCS Amb28049981 [1,0,0,0,0,0|2,0,0]=3 184 B9R0.18 C=CCOC(=O)OCC=C Amb17933999 [1,0,0,0,0,0|1,0,2]=4 185 B9R0.18 C=CCOC(O)COCC Amb28044331 [1,0,0,0,0,0|1,0,2]=4 186 B9R0.18 C=CCSC(=O)NCCC Amb27174522 [1,0,0,0,0,0|1,1,0]=3 187 B9R0.18 C=CC\C=C(\C)CCCN Amb27865880 [1,0,0,0,0,0|3,0,0]=4 188 B9R0.18 C=CC\C=C(\C)CCCO Amb27435598 [1,0,0,0,0,0|3,0,0]=4 189 B9R0.18 CCCCC(=O)CCCC Amb534166 [1,0,0,0,0,0|1,0,2]=4 190 B9R0.18 CCCCC(=O)CCCCl Amb26353274 [1,0,0,0,0,0|2,0,1]=4 191 B9R0.18 CCCCC(=O)CCCN Amb28050428 [1,0,0,0,0,0|2,0,1]=4 192 B9R0.18 CCCCC(=O)CCCO Amb25146585 [1,0,0,0,0,0|2,0,1]=4 193 B9R0.18 CCCCC(=O)CCNC Amb27771104 [1,0,0,0,0,0|2,0,1]=4 194 B9R0.18 CCCCC(=O)NCC=O Amb17102058 [1,0,0,0,0,0|2,0,0]=3 195 B9R0.18 CCCCC(=O)OCCBr Amb24709719 [1,0,0,0,0,0|1,0,1]=3 196 B9R0.18 CCCCC(=O)OCCO Amb27218716 [1,0,0,0,0,0|1,0,1]=3 197 B9R0.18 CCCCC(=O)\C=C\C=O Amb27252353 [1,0,0,0,0,0|2,0,1]=4 198 B9R0.18 CCCNC(=O)OCCC Amb24460257 [1,0,0,0,0,0|1,0,2]=4 199 B9R0.18 CCCNC(=O)OCCO Amb27593341 [1,0,0,0,0,0|2,0,1]=4 200 B9R0.18 CCCOC(=O)CCC=O Amb28049916 [1,0,0,0,0,0|3,0,0]=4 201 B9R0.18 CCCOC(=O)CCCBr Amb28287770 [1,0,0,0,0,0|1,0,2]=4 202 B9R0.18 CCCOC(=O)CCCS Amb27466699 [1,0,0,0,0,0|1,0,2]=4 203 B9R0.18 CCCOC(=O)CCNC Amb28074901 [1,0,0,0,0,0|1,0,2]=4 204 B9R0.18 CCCOC(=O)COCC Amb9243004 [1,0,0,0,0,0|1,0,2]=4 205 B9R0.18 CCCOC(=O)OCCC Amb22336422 [1,0,0,0,0,0|1,0,2]=4 206 B9R0.18 CCOCC(=O)OCCBr Amb33050548 [1,0,0,0,0,0|2,0,1]=4 207 B9R0.18 CCOCC(=O)OCCO Amb27839369 [1,0,0,0,0,0|2,0,1]=4 208 B9R0.18 COCCC(=O)OCC#N Amb27982819 [1,0,0,0,0,0|2,0,1]=4 209 B9R0.18 COCCC(=O)OCCBr Amb33050387 [1,0,0,0,0,0|2,0,1]=4 210 B9R0.18 COCCC(=O)OCCO Amb25845430 [1,0,0,0,0,0|2,0,1]=4 211 B9R0.18 NCCOC(=O)CCCO Amb27811652 [1,0,0,0,0,0|2,0,1]=4 212 B9R0.45 C#CCONCCCCC Amb27617050 [1,0,0,0,0,0|1,0,2]=4 213 B9R0.45 C=CCC#CCCCCO Amb28121719 [1,0,0,0,0,0|2,0,1]=4 214 B9R0.45 C=CCCCCCCCBr Amb19895211 [1,0,0,0,0,0|2,0,1]=4 215 B9R0.45 C=CCCCCCCCC Amb3940503 [1,0,0,0,0,0|1,0,1]=3 216 B9R0.45 C=CCCCCCCCCl Amb6298880 [1,0,0,0,0,0|2,0,1]=4 217 B9R0.45 C=CCCCCCCCN Amb24763980 [1,0,0,0,0,0|2,0,1]=4 218 B9R0.45 C=CCCCCCCCN Amb32653343 [1,0,0,0,0,0|2,0,1]=4 219 B9R0.45 C=CCCCCCCCO Amb22733549 [1,0,0,0,0,0|2,0,1]=4 220 B9R0.45 C=CCCCCCCNC Amb28120535 [1,0,0,0,0,0|2,0,1]=4 221 B9R0.45 C=CCCCCCSCC Amb27396740 [1,0,0,0,0,0|2,0,1]=4 222 B9R0.45 C=CCCCCNCCC Amb26576689 [1,0,0,0,0,0|2,0,1]=4 223 B9R0.45 C=CCCCNCCCC Amb27799206 [1,0,0,0,0,0|2,0,1]=4 224 B9R0.45 C=CCCCNOCC=C Amb27424417 [1,0,0,0,0,0|1,0,2]=4 225 B9R0.45 C=CCCNCCCCC Amb27838999 [1,0,0,0,0,0|2,0,0]=3 226 B9R0.45 C=CCCNCCCCO Amb28141464 [1,0,0,0,0,0|3,0,0]=4 227 B9R0.45 C=CCCNCCCOC Amb28126721 [1,0,0,0,0,0|3,0,0]=4 228 B9R0.45 C=CCCNCCCSC Amb27838985 [1,0,0,0,0,0|3,0,0]=4 229 B9R0.45 C=CCCNCCOCC Amb28126723 [1,0,0,0,0,0|3,0,0]=4 230 B9R0.45 C=CCCOCCCNC Amb27768715 [1,0,0,0,0,0|3,0,0]=4 231 B9R0.45 C=CCCSCCCOC Amb28280277 [1,0,0,0,0,0|3,0,0]=4 232 B9R0.45 C=CCCSCCSCC Amb27197363 [1,0,0,0,0,0|3,0,0]=4 233 B9R0.45 C=CCC\C=C\CCCO Amb27485402 [1,0,0,0,0,0|2,0,1]=4 234 B9R0.45 C=CCNCCCCCC Amb7756950 [1,0,0,0,0,0|1,0,1]=3 235 B9R0.45 C=CCNCCCCCF Amb27219940 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.45 C=CCNCCCCNC Amb27251520 [1,0,0,0,0,0|2,0,1]=4 237 B9R0.45 C=CCOCCCCCC Amb17933923 [1,0,0,0,0,0|0,0,1]=2 238 B9R0.45 C=CCOCCCSCC Amb28187852 [1,0,0,0,0,0|1,0,1]=3 239 B9R0.45 C=CCOCCNCCC Amb27866133 [1,0,0,0,0,0|1,0,1]=3 240 B9R0.45 C=CCOCCNCCN Amb28065791 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.45 C=CCOCCNCCO Amb28321523 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.45 C=CCOCCOCCCl Amb27615017 [1,0,0,0,0,0|2,0,1]=4 243 B9R0.45 C=CCOCCOCCN Amb18111246 [1,0,0,0,0,0|2,0,1]=4 244 B9R0.45 C=CCOCCOCCO Amb17933929 [1,0,0,0,0,0|2,0,1]=4 245 B9R0.45 C=CCOCCOCCS Amb28049570 [1,0,0,0,0,0|2,0,1]=4 246 B9R0.45 C=CCONCCOCC Amb27267386 [1,0,0,0,0,0|2,0,0]=3 247 B9R0.45 C=CCONCCSCC Amb27266026 [1,0,0,0,0,0|2,0,0]=3 248 B9R0.45 C=CCSCCCCCBr Amb27985767 [1,0,0,0,0,0|1,1,1]=4 249 B9R0.45 C=CCSCCCCCC Amb22733767 [1,0,0,0,0,0|0,1,1]=3 250 B9R0.45 C=CCSCCCCCF Amb28315981 [1,0,0,0,0,0|1,1,1]=4 251 B9R0.45 C=CCSCCCCCN Amb28435037 [1,0,0,0,0,0|1,1,1]=4 252 B9R0.45 C=CCSCCCCCS Amb27828255 [1,0,0,0,0,0|1,1,1]=4 253 B9R0.45 C=CCSCCCCNC Amb28397579 [1,0,0,0,0,0|1,1,1]=4 254 B9R0.45 C=CCSCCCCOC Amb27599202 [1,0,0,0,0,0|1,1,1]=4 255 B9R0.45 C=CC\C=C/CCCCC Amb27423727 [1,0,0,0,0,0|1,0,0]=2 256 B9R0.45 C=CC\C=C\CCCC=C Amb4035041 [1,0,0,0,0,0|1,0,2]=4 257 B9R0.45 C=CC\C=C\CCCCC Amb27629643 [1,0,0,0,0,0|1,0,0]=2 258 B9R0.45 C=CC\C=C\CCCCO Amb28050717 [1,0,0,0,0,0|2,0,0]=3 259 B9R0.45 C=CC\C=C\CNCCS Amb27789950 [1,0,0,0,0,0|3,0,0]=4 260 B9R0.45 C=C\C=C/CCCCCC Amb22641680 [1,0,0,0,0,0|1,0,2]=4 261 B9R0.45 CCCCCCOCC#N Amb7792031 [1,0,0,0,0,0|1,0,2]=4 262 B9R0.45 CCCCCCOCC=O Amb26624223 [1,0,0,0,0,0|1,0,1]=3 263 B9R0.45 CCCCCCOCCC Amb27838831 [1,0,0,0,0,0|0,0,3]=4 264 B9R0.45 CCCCCCOCCCl Amb8828502 [1,0,0,0,0,0|1,0,2]=4 265 B9R0.45 CCCCCCOCCO Amb9787183 [1,0,0,0,0,0|1,0,2]=4 266 B9R0.45 CCCCCCO\C=C/Cl Amb27984890 [1,0,0,0,0,0|1,0,2]=4 267 B9R0.45 CCCCCOCCC=O Amb27628424 [1,0,0,0,0,0|3,0,0]=4 268 B9R0.45 CCCCC\C=C/CCBr Amb27781314 [1,0,0,0,0,0|2,0,1]=4 269 B9R0.45 CCCCC\C=C/CCO Amb9825885 [1,0,0,0,0,0|2,0,1]=4 270 B9R0.45 CCCCC\C=C\CCBr Amb27864879 [1,0,0,0,0,0|2,0,1]=4 271 B9R0.45 CCCCC\C=C\CCN Amb25123460 [1,0,0,0,0,0|2,0,1]=4 272 B9R0.45 CCCCC\C=C\CCO Amb27953070 [1,0,0,0,0,0|2,0,1]=4 273 B9R0.45 CCCC\C=C\CCC=O Amb27966384 [1,0,0,0,0,0|2,0,1]=4 274 B9R0.45 CCC\C=C\CCCCC Amb22231673 [1,0,0,0,0,0|1,0,2]=4 275 B9R0.45 C\C=C/C=C\CCCCC Amb22641684 [1,0,0,0,0,0|1,0,2]=4 276 B11R0.5 C=CCCC(=O)CC(=O)OCC Amb4017502 [0,1,0,0,0,0|2,0,1]=4 277 B11R0.11 C=CCOC(=O)[C@@H]([NH3+])CCSC Amb22349473 [0,1,0,0,0,0|1,0,0]=2 278 B11R0.11 CCCCC(N)C(=O)NCCC Amb18794439 [0,1,0,0,0,0|1,0,2]=4 279 B11R0.11 CCCCN(N)C(=O)OCCC Amb33191489 [0,1,0,0,0,0|1,0,2]=4 280 B11R0.11 CCCOC(=O)[C@@H](N)CCOC Amb24053178 [0,1,0,0,0,0|1,0,2]=4 281 B11R0.46 CCCCCC(=O)CCC(=O)O Amb4330519 [0,1,0,0,0,0|2,0,0]=3 282 B11R0.46 CCCCCC(=O)NCC(=O)O Amb4306505 [0,1,0,0,0,0|2,0,0]=3 283 B11R0.46 CCCCCC(=O)OCC(C)Br Amb33276533 [0,1,0,0,0,0|0,0,2]=3 284 B11R0.46 CCCCCC(=O)OCC(C)C Amb9786162 [0,1,0,0,0,0|0,0,2]=3 285 B11R0.46 CCCCNC(=O)CCC(=O)Cl Amb17143098 [0,1,0,0,0,0|3,0,0]=4 286 B11R0.46 CCCCNC(=O)CCC(=O)O Amb1785994 [0,1,0,0,0,0|3,0,0]=4 287 B11R0.46 CCCCOC(=O)CCC(=O)O Amb19888684 [0,1,0,0,0,0|3,0,0]=4 288 B11R0.46 CCCOCC(=O)OCC(C)Br Amb33048228 [0,1,0,0,0,0|1,0,2]=4 289 B11R0.46 CCOCCC(=O)OCC(C)Br Amb33050472 [0,1,0,0,0,0|1,0,2]=4 290 B11R0.46 COCCCC(=O)OCC(C)Br Amb33051836 [0,1,0,0,0,0|1,0,2]=4 291 B11R0.81 C=CCOC(=O)CCCCCC Amb8514890 [0,1,0,0,0,0|0,0,0]=1 292 B11R0.81 C=CCOC(=O)NCCCCN Amb22348046 [0,1,0,0,0,0|1,0,0]=2 293 B11R0.81 C=CCOC(=O)NCCCCO Amb22348074 [0,1,0,0,0,0|1,0,0]=2 294 B11R0.81 CCCCCCC(=O)NCCO Amb5797932 [0,1,0,0,0,0|2,0,1]=4 295 B11R0.81 CCCOC(=O)NCCCNC Amb33804471 [0,1,0,0,0,0|1,0,2]=4 296 B11R0.81 CCCOC(=O)NCCCNC Amb33804497 [0,1,0,0,0,0|1,0,2]=4 297 B11R0.81 NCCCCCC(=O)NCCO Amb8866821 [0,1,0,0,0,0|2,0,1]=4 298 B11R0.140 CCCCCC(=O)CCCCC Amb6608883 [0,1,0,0,0,0|1,0,2]=4 299 B11R0.140 CCCCNC(=O)OCC#CI Amb8383541 [0,1,0,0,0,0|1,0,2]=4 300 B11R0.140 CCCCOC(=O)OCCCC Amb22732182 [0,1,0,0,0,0|1,0,2]=4 301 B11R0.140 C\C=C\C=C\C(=O)OCCCC Amb33513065 [0,1,0,0,0,0|2,0,1]=4 302 B11R0.147 C=CCNC(=O)CCCC(=O)O Amb1863934 [0,1,0,0,0,0|2,0,1]=4 303 B11R0.154 C=CC(C)NC(=S)NCCCC Amb33190206 [0,1,0,0,0,0|2,1,0]=4 304 B11R1.5 C#CCN1CCCCCC1=O Amb18177185 [0,0,0,1,0,0|1,0,2]=4 305 B11R1.5 C=CCC1CC=CCCC1=O Amb27261916 [0,0,0,1,0,0|1,0,2]=4 306 B11R1.5 C=CCC1CCCCCC1=O Amb18181756 [0,0,0,1,0,0|1,0,0]=2 307 B11R1.5 C=CCC1CCCCCC1Cl Amb18185761 [0,0,0,1,0,0|2,0,1]=4 308 B11R1.5 C=CCC1CCCCCC1O Amb18182944 [0,0,0,1,0,0|1,0,2]=4 309 B11R1.5 C=CCC1CCCCNC1=N Amb27823146 [0,0,0,1,0,0|3,0,0]=4 310 B11R1.5 C=CCC1CCCCNC1=O Amb27869951 [0,0,0,1,0,0|2,0,0]=3 311 B11R1.5 C=CCC1CCCCNC1=S Amb27605894 [0,0,0,1,0,0|2,1,0]=4 312 B11R1.5 C=CCC1NCCCOC1=O Amb28251286 [0,0,0,1,0,0|3,0,0]=4 313 B11R1.5 C=CCN1CCCNCC1=O Amb25876935 [0,0,0,1,0,0|2,0,0]=3 314 B11R1.5 C=CCN1CCNCCC1=O Amb27481370 [0,0,0,1,0,0|2,0,0]=3 315 B11R1.5 C=CC[C@@H]1CCCCC[C@H]1O Amb25968545 [0,0,0,1,0,0|1,0,2]=4 316 B11R1.5 C=C\C=C1/CCCCCC1=O Amb28383036 [0,0,0,1,0,0|1,0,1]=3 317 B11R1.5 NCCC1CCCCCC1=O Amb18200342 [0,0,0,1,0,0|2,0,1]=4 318 B11R1.5 NCCN1CCCCCC1=O Amb10610308 [0,0,0,1,0,0|2,0,1]=4 319 B11R1.5 NCCN1CCCCCC1=O Amb6252150 [0,0,0,1,0,0|2,0,1]=4 320 B11R1.5 NCCN1CCCCCC1=O Amb7969849 [0,0,0,1,0,0|2,0,1]=4 321 B11R1.5 O=C1CCCCCC1CCO Amb27395084 [0,0,0,1,0,0|2,0,1]=4 322 B11R1.5 O=C1CCCCCN1CCO Amb9370344 [0,0,0,1,0,0|2,0,1]=4 323 B11R1.5 O=C1CCCCCN1\C=C/Cl Amb28365465 [0,0,0,1,0,0|2,0,1]=4 324 B11R1.5 O=CCN1CCOCCC1=O Amb27172588 [0,0,0,1,0,0|3,0,0]=4 325 B11R1.17 CCCCC1C=CCCC1O Amb27768426 [0,0,0,1,0,0|1,0,2]=4 326 B11R1.17 CCCCC1CCCCC1=O Amb3940594 [0,0,0,1,0,0|1,0,2]=4 327 B11R1.17 CCCCC1NCCNC1=O Amb18989085 [0,0,0,1,0,0|2,0,1]=4 328 B11R1.17 CCCC[C@@H]1C=CCC[C@H]1Cl Amb27788480 [0,0,0,1,0,0|2,0,1]=4 329 B11R1.17 CCCC[C@H]1C=CCC[C@H]1O Amb27199462 [0,0,0,1,0,0|1,0,2]=4 330 B11R1.17 O=C1OCCCC1CCCI Amb27261546 [0,0,0,1,0,0|1,0,2]=4 331 B11R1.24 C=CCCN1CCCC(C)C1 Amb27176868 [0,0,0,1,0,0|3,0,0]=4 332 B11R1.24 C=CCOC1CCCC(N)C1 Amb26366821 [0,0,0,1,0,0|2,0,1]=4 333 B11R1.24 C=CC\C=C1/CCNC(C)C1 Amb35722032 [0,0,0,1,0,0|3,0,0]=4 334 B11R1.24 C=CC\C=C1\CNCC(C)C1 Amb35709843 [0,0,0,1,0,0|3,0,0]=4 335 B11R1.27 CCCCCC1=CC(=O)CC1 Amb27987060 [0,0,0,1,0,0|3,0,0]=4 336 B11R1.27 CCCCCC1=CC(=O)CO1 Amb27672377 [0,0,0,1,0,0|2,0,0]=3 337 B11R1.27 CCCCCC1=CCC(=O)N1 Amb25384805 [0,0,0,1,0,0|3,0,0]=4 338 B11R1.27 CCCCCC1=CCC(=O)O1 Amb26998895 [0,0,0,1,0,0|2,0,1]=4 339 B11R1.27 CCCCCc1cc(C)no1 Amb26999508 [0,0,0,1,0,0|2,0,1]=4 340 B11R1.27 CCCCCc1nc(C)no1 Amb28387210 [0,0,0,1,0,0|2,0,1]=4 341 B11R1.28 CCCCCN1CC=CCC1 Amb28352146 [0,0,0,1,0,0|3,0,0]=4 342 B11R1.28 CCCCCc1ccccc1 Amb2722921 [0,0,0,1,0,0|2,0,1]=4 343 B11R1.28 CCCCCc1ccccn1 Amb533507 [0,0,0,1,0,0|2,0,1]=4 344 B11R1.28 CCCCCc1cccnc1 Amb17672949 [0,0,0,1,0,0|3,0,0]=4 345 B11R1.28 CCCCCc1cnccn1 Amb9814232 [0,0,0,1,0,0|3,0,0]=4 346 B11R1.28 OCCCCC1CC=CCO1 Amb28079971 [0,0,0,1,0,0|2,0,1]=4 347 B11R1.29 C#CCOC(=O)C1CCCN1 Amb27972486 [0,0,0,1,0,0|1,0,2]=4 348 B11R1.29 C=CCCC(=O)C1CCCC1 Amb27672467 [0,0,0,1,0,0|1,0,0]=2 349 B11R1.29 C=CCCC(=O)C1CCCN1 Amb26082940 [0,0,0,1,0,0|2,0,0]=3 350 B11R1.29 C=CCCC(=O)C1CCCN1 Amb33535735 [0,0,0,1,0,0|2,0,0]=3 351 B11R1.29 C=CCCC(=O)C1CCCO1 Amb27672002 [0,0,0,1,0,0|2,0,0]=3 352 B11R1.29 C=CCCC(=O)C1CCNC1 Amb26651323 [0,0,0,1,0,0|2,0,0]=3 353 B11R1.29 C=CCCC(=O)C1CCOC1 Amb27269867 [0,0,0,1,0,0|2,0,0]=3 354 B11R1.29 C=CCCC(=O)N1CCCN1 Amb24762928 [0,0,0,1,0,0|3,0,0]=4 355 B11R1.29 C=CCCC(=O)[C@@H]1CCCN1 Amb24764727 [0,0,0,1,0,0|2,0,0]=3 356 B11R1.29 C=CCCC(=O)[C@@H]1CCNC1 Amb33132066 [0,0,0,1,0,0|2,0,0]=3 357 B11R1.29 C=CCCC(=O)[C@H]1CCCN1 Amb33132124 [0,0,0,1,0,0|2,0,0]=3 358 B11R1.29 C=CCCC(=O)[C@H]1CCNC1 Amb33132075 [0,0,0,1,0,0|2,0,0]=3 359 B11R1.29 C=CCCC(N)C1CCCC1 Amb27271573 [0,0,0,1,0,0|2,0,1]=4 360 B11R1.29 C=CCCC(O)C1CCCC1 Amb27271598 [0,0,0,1,0,0|1,0,2]=4 361 B11R1.29 C=CCNC(=O)C1CCCC1 Amb17870706 [0,0,0,1,0,0|1,0,0]=2 362 B11R1.29 C=CCNC(=O)C1CCCN1 Amb6280664 [0,0,0,1,0,0|2,0,0]=3 363 B11R1.29 C=CCNC(=O)C1CCCO1 Amb17871276 [0,0,0,1,0,0|2,0,0]=3 364 B11R1.29 C=CCNC(=O)C1CCOC1 Amb25809776 [0,0,0,1,0,0|2,0,0]=3 365 B11R1.29 C=CCNC(=O)C1CSCN1 Amb6265183 [0,0,0,1,0,0|3,0,0]=4 366 B11R1.29 C=CCNC(=O)N1CCCC1 Amb26014444 [0,0,0,1,0,0|2,0,0]=3 367 B11R1.29 C=CCNC(=O)[C@@H]1CCCN1 Amb5784219 [0,0,0,1,0,0|2,0,0]=3 368 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 Amb27475842 [0,0,0,1,0,0|2,0,0]=3 369 B11R1.29 C=CCNC(=O)[C@@H]1CCNC1 Amb35702297 [0,0,0,1,0,0|2,0,0]=3 370 B11R1.29 C=CCNC(=O)[C@H]1CCCN1 Amb27184006 [0,0,0,1,0,0|2,0,0]=3 371 B11R1.29 C=CCNC(=O)[C@H]1CCNC1 Amb35702296 [0,0,0,1,0,0|2,0,0]=3 372 B11R1.29 C=CCNC(C)C1CCCC1 Amb18313118 [0,0,0,1,0,0|2,0,1]=4 373 B11R1.29 C=CCNS(=O)C1CCCC1 Amb27272414 [0,0,0,1,0,0|2,0,0]=3 374 B11R1.29 C=CCOC(=O)C1=CCCC1 Amb25382182 [0,0,0,1,0,0|0,0,2]=3 375 B11R1.29 C=CCOC(=O)C1=COCC1 Amb27270181 [0,0,0,1,0,0|1,0,2]=4 376 B11R1.29 C=CCOC(=O)C1C=COC1 Amb24763017 [0,0,0,1,0,0|1,0,2]=4 377 B11R1.29 C=CCOC(=O)C1CC=CC1 Amb27270207 [0,0,0,1,0,0|0,0,2]=3 378 B11R1.29 C=CCOC(=O)C1CCCC1 Amb26083297 [0,0,0,1,0,0|0,0,0]=1 379 B11R1.29 C=CCOC(=O)C1CCCO1 Amb26083296 [0,0,0,1,0,0|1,0,0]=2 380 B11R1.29 C=CCOC(=O)N1C=CCC1 Amb24763015 [0,0,0,1,0,0|1,0,2]=4 381 B11R1.29 C=CCOC(=O)[C@@H]1CCCN1 Amb26998131 [0,0,0,1,0,0|1,0,0]=2 382 B11R1.29 C=CCSC(=S)N1CCCC1 Amb3836130 [0,0,0,1,0,0|1,2,0]=4 383 B11R1.29 CCCCC(=O)C1CCCC1 Amb533155 [0,0,0,1,0,0|1,0,2]=4 384 B11R1.29 CCCNC(=O)C1CCCC1 Amb3363419 [0,0,0,1,0,0|1,0,2]=4 385 B11R1.29 CCCOC(=O)[C@@H]1CCCN1 Amb18177528 [0,0,0,1,0,0|1,0,2]=4 386 B11R1.29 CCCOC(=O)[C@@H]1CCCO1 Amb27988424 [0,0,0,1,0,0|1,0,2]=4 387 B11R1.29 CCCOC(=O)[C@H]1CCCN1 Amb26083754 [0,0,0,1,0,0|1,0,2]=4 388 B11R1.29 CCCOC(=O)[C@H]1CCCO1 Amb27988425 [0,0,0,1,0,0|1,0,2]=4 389 B11R1.29 CNCCC(=O)C1CCCC1 Amb26651275 [0,0,0,1,0,0|2,0,1]=4 390 B11R1.29 COCNC(=O)C1CCCC1 Amb27200433 [0,0,0,1,0,0|2,0,1]=4 391 B11R1.29 N#CCCC(=O)C1CCCC1 Amb18181694 [0,0,0,1,0,0|2,0,1]=4 392 B11R1.29 N#CCOC(=O)C1CCCO1 Amb27163809 [0,0,0,1,0,0|2,0,1]=4 393 B11R1.29 N#CCOC(=O)C1CCCS1 Amb28189988 [0,0,0,1,0,0|2,0,1]=4 394 B11R1.29 N#CCOC(=O)C1CCOC1 Amb27826035 [0,0,0,1,0,0|2,0,1]=4 395 B11R1.29 N#CCOC(=O)C1CCSC1 Amb27768316 [0,0,0,1,0,0|2,0,1]=4 396 B11R1.29 NCCCC(=O)C1CCCC1 Amb18200351 [0,0,0,1,0,0|2,0,1]=4 397 B11R1.29 NCCNC(=O)C1CCCC1 Amb1135805 [0,0,0,1,0,0|2,0,1]=4 398 B11R1.29 NCCNC(=O)C1CCCC1 Amb13952111 [0,0,0,1,0,0|2,0,1]=4 399 B11R1.29 O=C(NCCCl)C1CCCC1 Amb18790716 [0,0,0,1,0,0|2,0,1]=4 400 B11R1.29 O=C(OCCBr)C1CCCC1 Amb33276551 [0,0,0,1,0,0|1,0,1]=3 401 B11R1.29 O=C(OCCBr)C1CCCO1 Amb33050560 [0,0,0,1,0,0|2,0,1]=4 402 B11R1.29 O=C(OCCBr)C1CCCS1 Amb33051977 [0,0,0,1,0,0|2,0,1]=4 403 B11R1.29 O=C(OCCBr)C1CCOC1 Amb33050413 [0,0,0,1,0,0|2,0,1]=4 404 B11R1.29 O=C(OCCBr)C1CCSC1 Amb33051948 [0,0,0,1,0,0|2,0,1]=4 405 B11R1.29 O=C(OCCBr)N1CCCC1 Amb27491895 [0,0,0,1,0,0|2,0,1]=4 406 B11R1.29 O=C(OCCF)C1CCCC1 Amb27988732 [0,0,0,1,0,0|1,0,1]=3 407 B11R1.29 O=C(OCCF)C1CCCO1 Amb27988733 [0,0,0,1,0,0|2,0,1]=4 408 B11R1.29 O=C(OCCF)C1CCCS1 Amb27271915 [0,0,0,1,0,0|2,0,1]=4 409 B11R1.29 O=C(OCCF)C1CCOC1 Amb27271916 [0,0,0,1,0,0|2,0,1]=4 410 B11R1.29 O=C(OCCF)C1CCSC1 Amb27271917 [0,0,0,1,0,0|2,0,1]=4 411 B11R1.29 O=C(OCCO)N1CCCC1 Amb27670349 [0,0,0,1,0,0|2,0,1]=4 412 B11R1.29 O=C(OCCO)[C@@H]1CCCN1 Amb25383814 [0,0,0,1,0,0|2,0,1]=4 413 B11R1.29 O=C(OCCO)[C@@H]1CCCO1 Amb27818443 [0,0,0,1,0,0|2,0,1]=4 414 B11R1.29 O=C(OCCO)[C@H]1CCCO1 Amb27818444 [0,0,0,1,0,0|2,0,1]=4 415 B11R1.29 O=CNNC(=O)C1CCCC1 Amb27406620 [0,0,0,1,0,0|3,0,0]=4 416 B11R1.37 C#CC1CC(=O)CCC1CC Amb32865509 [0,0,0,1,0,0|1,0,2]=4 417 B11R1.37 CCC1CCC(=O)CC1C#N Amb32865490 [0,0,0,1,0,0|2,0,1]=4 418 B11R1.37 CCC1CCC(=O)CC1CC Amb27250772 [0,0,0,1,0,0|1,0,2]=4 419 B11R1.37 CCC1CCC(=O)CC1CCl Amb32865505 [0,0,0,1,0,0|2,0,1]=4 420 B11R1.37 CCC1CCC(=O)CC1CN Amb32867767 [0,0,0,1,0,0|2,0,1]=4 421 B11R1.37 CCC1CCC(=O)CC1NC Amb32867094 [0,0,0,1,0,0|2,0,1]=4 422 B11R1.37 CCC1CCC(=O)CC1OC Amb32867616 [0,0,0,1,0,0|2,0,1]=4 423 B11R1.37 CCC1CCC(=O)CC1SC Amb32867593 [0,0,0,1,0,0|2,0,1]=4 424 B11R1.37 CCC1CNC(=O)OC1CC Amb28198823 [0,0,0,1,0,0|1,0,2]=4 425 B11R1.37 CC[C@@H]1NC(=O)CC[C@H]1CC Amb27493523 [0,0,0,1,0,0|1,0,2]=4 426 B11R1.101 O=C1CC=CCCC=CCC1 Amb28288884 [0,0,0,1,0,0|1,0,2]=4 427 B11R1.101 O=C1CC=CCCCCCC1 Amb26880464 [0,0,0,1,0,0|1,0,2]=4 428 B11R1.101 O=C1CCC=CCCCCC1 Amb4034899 [0,0,0,1,0,0|1,0,0]=2 429 B11R1.101 O=C1CCCCCCCCC1 Amb2778532 [0,0,0,1,0,0|1,0,2]=4 430 B11R1.101 O=C1CCCCCCCCN1 Amb4034840 [0,0,0,1,0,0|1,0,2]=4 431 B11R1.182 CCCC1CC(=O)CCC1C Amb24467090 [0,0,0,1,0,0|1,0,2]=4 432 B11R1.182 CCCC1CC(=O)CCN1C Amb26844011 [0,0,0,1,0,0|2,0,1]=4 433 B11R1.182 CCCN1CC(=O)CCC1=O Amb27812273 [0,0,0,1,0,0|3,0,0]=4 434 B11R1.182 CCCN1CC(=O)NCC1=O Amb27759819 [0,0,0,1,0,0|3,0,0]=4 435 B11R1.183 C=CC1OC(=O)NC1CCC Amb27879543 [0,0,0,1,0,0|1,0,0]=2 436 B11R1.183 C=CC1OC(=O)NC1CCO Amb27210235 [0,0,0,1,0,0|2,0,0]=3 437 B11R1.183 C=CC1OC(=O)N[C@H]1CCO Amb27832488 [0,0,0,1,0,0|2,0,0]=3 438 B11R1.183 C=CC1OC(=O)OC1CCC Amb27221730 [0,0,0,1,0,0|1,0,0]=2 439 B11R1.183 C=C[C@@H]1CC(=O)O[C@H]1CCO Amb27454875 [0,0,0,1,0,0|3,0,0]=4 440 B11R1.183 CCCC1CC(=O)CC1CC Amb28343137 [0,0,0,1,0,0|1,0,2]=4 441 B11R1.183 CCCC1CC(=O)OC1CO Amb27768434 [0,0,0,1,0,0|1,0,1]=3 442 B11R1.183 CCC[C@@H]1CC(=O)C[C@H]1CC Amb24604137 [0,0,0,1,0,0|1,0,2]=4 443 B11R1.183 CCC[C@H]1CC(=O)C[C@@H]1CC Amb27632339 [0,0,0,1,0,0|1,0,2]=4 444 B11R1.183 CCC[C@H]1CC(=O)O[C@@H]1CO Amb27213796 [0,0,0,1,0,0|1,0,1]=3 445 B11R1.203 C=CCCC1=CCCCCC1 Amb35711416 [0,0,0,1,0,0|2,0,0]=3 446 B11R1.203 C=CCCC1CCCCCC1 Amb29865043 [0,0,0,1,0,0|2,0,1]=4 447 B11R1.203 C=CCNC1=NCCCCC1 Amb28424031 [0,0,0,1,0,0|2,0,0]=3 448 B11R1.203 C=CCNC1=NCCCCN1 Amb30035705 [0,0,0,1,0,0|3,0,0]=4 449 B11R1.203 C=CCNC1CCCCCC1 Amb6683795 [0,0,0,1,0,0|2,0,1]=4 450 B11R1.203 C=CCSC1=NCCCCN1 Amb35736590 [0,0,0,1,0,0|2,1,0]=4 451 B11R1.203 O=CCOC1CCCCCC1 Amb18183074 [0,0,0,1,0,0|2,0,1]=4 452 B11R1.214 C=CCNC1CCC(CC)C1 Amb27986885 [0,0,0,1,0,0|2,0,1]=4 453 B11R1.214 C=CCOC1CCN(CC)C1 Amb27270263 [0,0,0,1,0,0|2,0,1]=4 454 B11R1.245 C=CC1=CC(=O)CCCCC1 Amb28144039 [0,0,0,1,0,0|1,0,1]=3 455 B11R1.245 C=CC1CCCCCC(=O)N1 Amb28290513 [0,0,0,1,0,0|1,0,0]=2 456 B11R1.245 CCC1CCCCCC(=O)N1 Amb25313080 [0,0,0,1,0,0|1,0,2]=4 457 B11R1.245 COC1CCCCCC(=O)C1 Amb27164648 [0,0,0,1,0,0|2,0,1]=4 458 B11R1.282 C#CCNC(=O)C1CC1CC Amb27200862 [0,0,0,1,0,0|1,0,2]=4 459 B11R1.282 C#CCNC(=O)[C@@H]1C[C@H]1CC Amb28066856 [0,0,0,1,0,0|1,0,2]=4 460 B11R1.282 C=CCCC(=O)C1CC1CN Amb33132461 [0,0,0,1,0,0|2,0,0]=3 461 B11R1.282 C=CCCC(=O)[C@@H]1C[C@@H]1CN Amb33132484 [0,0,0,1,0,0|2,0,0]=3 462 B11R1.283 C#CCNC(=O)CC1CC1C Amb28453960 [0,0,0,1,0,0|1,0,2]=4 463 B11R1.283 C=CCCC(=O)N[C@@H]1C[C@H]1C Amb28387915 [0,0,0,1,0,0|2,0,0]=3 464 B11R1.283 C=CCNC(=O)CC1CC1C Amb27270234 [0,0,0,1,0,0|1,0,0]=2 465 B11R1.283 C=CCNC(=O)NC1CC1C Amb27397527 [0,0,0,1,0,0|2,0,0]=3 466 B11R1.283 C=CCNC(=S)N[C@@H]1C[C@H]1C Amb28054724 [0,0,0,1,0,0|2,1,0]=4 467 B11R1.283 CC1CC1CC(=O)CCCN Amb33132724 [0,0,0,1,0,0|2,0,1]=4 468 B11R1.283 CC1CC1CC(=O)NCC#N Amb28126463 [0,0,0,1,0,0|2,0,1]=4 469 B11R1.283 CC1CC1NC(=O)OCCO Amb27670346 [0,0,0,1,0,0|2,0,1]=4 470 B11R1.283 CNCCC(=O)CC1CC1C Amb33132723 [0,0,0,1,0,0|2,0,1]=4 471 B11R1.284 C#CCCC(=O)CC1CCC1 Amb28386673 [0,0,0,1,0,0|1,0,2]=4 472 B11R1.284 C#CCOC(=O)CC1CCC1 Amb27988695 [0,0,0,1,0,0|0,0,2]=3 473 B11R1.284 C=CCCC(=O)CC1CNC1 Amb33307236 [0,0,0,1,0,0|2,0,0]=3 474 B11R1.284 C=CCCC(=O)NC1CNC1 Amb27271106 [0,0,0,1,0,0|3,0,0]=4 475 B11R1.284 C=CCNC(=O)CC1CCC1 Amb28386672 [0,0,0,1,0,0|1,0,0]=2 476 B11R1.284 C=CCNC(=O)CC1COC1 Amb27270343 [0,0,0,1,0,0|2,0,0]=3 477 B11R1.284 C=CCNC(=O)OC1CNC1 Amb27271376 [0,0,0,1,0,0|3,0,0]=4 478 B11R1.284 CCCNC(=O)CC1CCC1 Amb27818861 [0,0,0,1,0,0|1,0,2]=4 479 B11R1.284 CNCCC(=O)CC1CCC1 Amb33307304 [0,0,0,1,0,0|2,0,1]=4 480 B11R1.284 N#CCOC(=O)CC1CCC1 Amb27988696 [0,0,0,1,0,0|1,0,1]=3 481 B11R1.284 NCCCC(=O)CC1CCC1 Amb33307305 [0,0,0,1,0,0|2,0,1]=4 482 B11R1.284 NCCNC(=O)CC1CCC1 Amb28387061 [0,0,0,1,0,0|2,0,1]=4 483 B11R1.284 NCCOC(=O)NC1CCC1 Amb28387519 [0,0,0,1,0,0|2,0,1]=4 484 B11R1.284 O=C(CC1CCC1)NCCBr Amb28386687 [0,0,0,1,0,0|2,0,1]=4 485 B11R1.284 O=C(CC1CCC1)NCCCl Amb28386686 [0,0,0,1,0,0|2,0,1]=4 486 B11R1.284 O=C(CC1CCC1)NCCI Amb28386689 [0,0,0,1,0,0|2,0,1]=4 487 B11R1.284 O=C(CC1CCC1)NCCO Amb28386678 [0,0,0,1,0,0|2,0,1]=4 488 B11R1.284 O=C(NC1CCC1)OCCBr Amb28387531 [0,0,0,1,0,0|2,0,1]=4 489 B11R1.284 O=C(NC1CCC1)OCCCl Amb28387532 [0,0,0,1,0,0|2,0,1]=4 490 B11R1.284 O=C(NC1CCC1)OCCO Amb27670347 [0,0,0,1,0,0|2,0,1]=4 491 B11R1.285 C=CCCC(=O)CNC1CC1 Amb33307235 [0,0,0,1,0,0|2,0,0]=3 492 B11R1.285 C=CCNC(=O)CNC1CC1 Amb18182904 [0,0,0,1,0,0|2,0,0]=3 493 B11R1.285 C=CC\N=C(\N)NCC1CC1 Amb27270178 [0,0,0,1,0,0|3,0,0]=4 494 B11R1.285 CNCCC(=O)CCC1CC1 Amb33307244 [0,0,0,1,0,0|2,0,1]=4 495 B11R1.285 NCCCC(=O)CCC1CC1 Amb33307249 [0,0,0,1,0,0|2,0,1]=4 496 B11R1.285 O=C(CCC1CC1)OCCBr Amb33051925 [0,0,0,1,0,0|1,0,1]=3 497 B11R1.286 C=CCNC(=S)N1CCC1C Amb27804872 [0,0,0,1,0,0|2,1,0]=4 498 B11R1.299 CCCCCC(=O)C1CNC1 Amb33307256 [0,0,0,1,0,0|2,0,1]=4 499 B11R1.299 CCCCNC(=O)C1=CCC1 Amb27988792 [0,0,0,1,0,0|2,0,1]=4 500 B11R1.301 CCCCNC(=O)OC1CC1 Amb32697661 [0,0,0,1,0,0|1,0,2]=4 501 B11R1.303 C=CCC1C(=O)CCC1C=C Amb27861202 [0,0,0,1,0,0|1,0,2]=4 502 B11R1.303 C=CCC1C(=O)OCC1CO Amb27768410 [0,0,0,1,0,0|3,0,0]=4 503 B11R1.303 C=CCN1C(=O)CCC1CO Amb22749925 [0,0,0,1,0,0|2,0,0]=3 504 B11R1.303 C=CCN1C(=O)OC[C@@H]1CO Amb27604339 [0,0,0,1,0,0|3,0,0]=4 505 B11R1.303 C=CCN1C(N)=NCC1CC Amb27391504 [0,0,0,1,0,0|3,0,0]=4 506 B11R1.303 C=CC[C@@H]1C(=O)CC[C@@H]1CC Amb27802725 [0,0,0,1,0,0|1,0,0]=2 507 B11R1.303 C=CC[C@@H]1C(=O)CC[C@H]1C=O Amb28133388 [0,0,0,1,0,0|2,0,1]=4 508 B11R1.303 C=CC[C@@H]1C(=O)CC[C@H]1CO Amb28052549 [0,0,0,1,0,0|2,0,0]=3 509 B11R1.303 CCC1CCC(=O)N1CCN Amb18644860 [0,0,0,1,0,0|2,0,1]=4 510 B11R1.303 CCC[C@@H]1C(=O)CC[C@H]1CC Amb27434309 [0,0,0,1,0,0|1,0,2]=4 511 B11R1.339 C=CCC1C(=O)CC1OCC Amb27672479 [0,0,0,1,0,0|2,0,0]=3 512 B11R1.339 C=CC[C@@H]1C(=O)C[C@H]1OCC Amb27672553 [0,0,0,1,0,0|2,0,0]=3 513 B11R1.339 C=CC[C@H]1C(=O)C[C@H]1OCC Amb27672554 [0,0,0,1,0,0|2,0,0]=3 514 B11R1.465 C=C1COC(O)C1CCCC Amb27593956 [0,0,0,1,0,0|0,0,2]=3 515 B11R1.465 CCCCC1=C(C)CCC1=O Amb2725846 [0,0,0,1,0,0|1,0,2]=4 516 B11R1.465 CCCCC1=C(C)CNC1=O Amb27841631 [0,0,0,1,0,0|1,0,2]=4 517 B11R1.465 CCCCC1=C(C)NOC1=O Amb24725267 [0,0,0,1,0,0|1,0,2]=4 518 B11R1.465 CCCCC1C(=O)COC1C Amb29864314 [0,0,0,1,0,0|2,0,1]=4 519 B11R1.465 CCCCC1C(=O)NN=C1C Amb2757374 [0,0,0,1,0,0|2,0,1]=4 520 B11R1.465 CCCCN1C(=O)CCC1=O Amb2967315 [0,0,0,1,0,0|3,0,0]=4 521 B11R1.465 CCCCN1C(=O)CNC1=O Amb9256626 [0,0,0,1,0,0|3,0,0]=4 522 B11R1.465 CCCCN1C(=O)CSC1=O Amb17743755 [0,0,0,1,0,0|2,1,0]=4 523 B11R1.465 CCCC[C@@H]1C(=O)OC[C@@H]1O Amb27632041 [0,0,0,1,0,0|1,0,1]=3 524 B11R1.465 CNCCN1C(=O)COC1=O Amb22642617 [0,0,0,1,0,0|3,0,0]=4 525 B11R1.465 CNCCN1C(=O)COC1=O Amb32662323 [0,0,0,1,0,0|3,0,0]=4 526 B11R1.465 NCCCN1C(=O)COC1=O Amb22642591 [0,0,0,1,0,0|3,0,0]=4 527 B11R1.465 NCCCN1C(=O)COC1=O Amb32662428 [0,0,0,1,0,0|3,0,0]=4 528 B11R1.465 O=C1CNC(=O)C1CCCO Amb27612859 [0,0,0,1,0,0|3,0,0]=4 529 B11R1.605 C=CCC1=C(C)CCCC1=O Amb27256444 [0,0,0,1,0,0|1,0,1]=3 530 B11R1.605 C=CCC1=C(O)CCCC1=O Amb28366967 [0,0,0,1,0,0|2,0,1]=4 531 B11R1.605 C=CCC1C(=O)CCCC1=O Amb4012691 [0,0,0,1,0,0|2,0,1]=4 532 B11R1.605 C=CCC1C(=O)OCCC1O Amb27662382 [0,0,0,1,0,0|3,0,0]=4 533 B11R1.605 C=CCN1C(=O)CNCC1C Amb26373182 [0,0,0,1,0,0|2,0,0]=3 534 B11R1.605 C=CCN1[C@H](C)CCC[C@H]1C Amb27944995 [0,0,0,1,0,0|2,0,1]=4 535 B11R1.605 C=CC[C@@H]1C(=O)CCC[C@@H]1C Amb28285934 [0,0,0,1,0,0|1,0,0]=2 536 B11R1.605 C=CC[C@@H]1C(=O)CCC[C@H]1C Amb26427951 [0,0,0,1,0,0|1,0,0]=2 537 B11R1.605 C=CC[C@@H]1[C@@H](O)CCC[C@H]1C Amb26397041 [0,0,0,1,0,0|1,0,2]=4 538 B11R1.605 C=CC[C@H]1[C@H](C)CCC[C@H]1N Amb24738527 [0,0,0,1,0,0|2,0,1]=4 539 B11R1.841 CCCCC1C(=O)NC1CC Amb27673663 [0,0,0,1,0,0|1,0,2]=4 540 B11R1.900 C=CCOC1(C)CCNCC1 Amb27840156 [0,0,0,1,0,0|2,0,1]=4 541 B11R1.1133 C=CCCC1(N)CCCC1C Amb35615134 [0,0,0,1,0,0|2,0,1]=4 542 B8R0.1 C#CCC(=O)CCCC Amb8390126 [2,0,0,0,0,0|0,0,2]=4 543 B8R0.1 C#CCOC(=O)CCC Amb27775365 [2,0,0,0,0,0|0,0,2]=4 544 B8R0.1 C=CCC(=C)CCCO Amb27213958 [2,0,0,0,0,0|2,0,0]=4 545 B8R0.1 C=CCC(=O)CCCBr Amb27401886 [2,0,0,0,0,0|1,0,0]=3 546 B8R0.1 C=CCC(=O)CCCC Amb10567269 [2,0,0,0,0,0|0,0,0]=2 547 B8R0.1 C=CCC(=O)CCCN Amb27252862 [2,0,0,0,0,0|1,0,0]=3 548 B8R0.1 C=CCC(=O)COCC Amb27402397 [2,0,0,0,0,0|1,0,0]=3 549 B8R0.1 C=CCC(=O)CSCC Amb27265833 [2,0,0,0,0,0|1,0,0]=3 550 B8R0.1 C=CCC(=O)C\C=C\C Amb24625824 [2,0,0,0,0,0|0,0,2]=4 551 B8R0.1 C=CCC(=O)NCCC Amb27437889 [2,0,0,0,0,0|1,0,0]=3 552 B8R0.1 C=CCC(=O)NCCN Amb18313529 [2,0,0,0,0,0|2,0,0]=4 553 B8R0.1 C=CCC(=O)OCOC Amb27449001 [2,0,0,0,0,0|2,0,0]=4 554 B8R0.1 C=CCCC(=O)CCC Amb9031599 [2,0,0,0,0,0|1,0,0]=3 555 B8R0.1 C=CCCC(=O)OCC Amb10601809 [2,0,0,0,0,0|2,0,0]=4 556 B8R0.1 C=CCNC(=N)CCC Amb27602260 [2,0,0,0,0,0|2,0,0]=4 557 B8R0.1 C=CCNC(=O)CCBr Amb17323623 [2,0,0,0,0,0|2,0,0]=4 558 B8R0.1 C=CCNC(=O)CCCl Amb6261533 [2,0,0,0,0,0|2,0,0]=4 559 B8R0.1 C=CCNC(=O)CCN Amb5784976 [2,0,0,0,0,0|2,0,0]=4 560 B8R0.1 C=CCNC(=O)CCO Amb17334106 [2,0,0,0,0,0|2,0,0]=4 561 B8R0.1 C=CCNC(=O)CSC Amb27644465 [2,0,0,0,0,0|2,0,0]=4 562 B8R0.1 C=CCNC(=O)OCC Amb17792413 [2,0,0,0,0,0|2,0,0]=4 563 B8R0.1 C=CCOC(=O)CC#N Amb1151261 [2,0,0,0,0,0|1,0,1]=4 564 B8R0.1 C=CCOC(=O)CC=O Amb27754089 [2,0,0,0,0,0|1,0,1]=4 565 B8R0.1 C=CCOC(=O)CCC Amb3940492 [2,0,0,0,0,0|0,0,0]=2 566 B8R0.1 C=CCOC(=O)COC Amb28064916 [2,0,0,0,0,0|1,0,0]=3 567 B8R0.1 C=CCOC(=O)NOC Amb27977470 [2,0,0,0,0,0|2,0,0]=4 568 B8R0.1 C=CCOC(=O)OCC Amb22230384 [2,0,0,0,0,0|1,0,0]=3 569 B8R0.1 C=CCOC(=O)\C=C\C Amb4605887 [2,0,0,0,0,0|0,0,2]=4 570 B8R0.1 C=CC[C@@H](O)CCCC Amb28139816 [2,0,0,0,0,0|0,0,2]=4 571 B8R0.1 C=CNC(=O)OCCC Amb27472919 [2,0,0,0,0,0|2,0,0]=4 572 B8R0.1 CCCC(=O)CCC=O Amb18642627 [2,0,0,0,0,0|2,0,0]=4 573 B8R0.1 CCCC(=O)NCC=O Amb17102055 [2,0,0,0,0,0|2,0,0]=4 574 B8R0.1 CCCC(=O)OCC#N Amb27455769 [2,0,0,0,0,0|1,0,1]=4 575 B8R0.1 CCCC(=O)OCCBr Amb25087679 [2,0,0,0,0,0|1,0,1]=4 576 B8R0.1 CCCC(=O)OCCF Amb27448709 [2,0,0,0,0,0|1,0,1]=4 577 B8R0.1 CCCC(=O)OCCO Amb25937003 [2,0,0,0,0,0|1,0,1]=4 578 B8R0.1 CCCC(=O)OCSC Amb8393187 [2,0,0,0,0,0|1,0,1]=4 579 B8R0.1 CCCCC(=N)OCC Amb20673140 [2,0,0,0,0,0|1,0,1]=4 580 B8R0.1 CCCCC(=N)OCC Amb26549922 [2,0,0,0,0,0|1,0,1]=4 581 B8R0.1 CCCCC(=O)CC#N Amb7768265 [2,0,0,0,0,0|1,0,1]=4 582 B8R0.1 CCCCC(=O)CCC Amb3940685 [2,0,0,0,0,0|0,0,2]=4 583 B8R0.1 CCCCC(=O)CCN Amb28186730 [2,0,0,0,0,0|1,0,1]=4 584 B8R0.1 CCCCC(=O)CNC Amb25824276 [2,0,0,0,0,0|1,0,1]=4 585 B8R0.1 CCCCC(=O)COC Amb19374627 [2,0,0,0,0,0|1,0,1]=4 586 B8R0.1 CCCCC(=O)CSC Amb27837495 [2,0,0,0,0,0|1,0,1]=4 587 B8R0.1 CCCCC(=O)OCC Amb6296060 [2,0,0,0,0,0|0,0,1]=3 588 B8R0.1 CCCCC(=O)OCCl Amb28314260 [2,0,0,0,0,0|1,0,0]=3 589 B8R0.1 CCCCC(=O)\C=C\Cl Amb24650002 [2,0,0,0,0,0|1,0,1]=4 590 B8R0.1 CCCCC(=O)\C=C\O Amb26515841 [2,0,0,0,0,0|1,0,1]=4 591 B8R0.1 CCCNC(=O)OCC Amb17787091 [2,0,0,0,0,0|1,0,1]=4 592 B8R0.1 CCCOC(=O)CCC Amb8517637 [2,0,0,0,0,0|0,0,2]=4 593 B8R0.1 CCCOC(=O)OCCl Amb22054704 [2,0,0,0,0,0|2,0,0]=4 594 B8R0.1 CCNCC(=O)OCC Amb33527965 [2,0,0,0,0,0|1,0,1]=4 595 B8R0.1 CCOC(=O)CCCBr Amb3940218 [2,0,0,0,0,0|1,0,1]=4 596 B8R0.1 CCOC(=O)CCCCl Amb1153203 [2,0,0,0,0,0|1,0,1]=4 597 B8R0.1 CCOC(=O)CCCN Amb2720231 [2,0,0,0,0,0|1,0,1]=4 598 B8R0.1 CCOC(=O)CCCN Amb3938993 [2,0,0,0,0,0|1,0,1]=4 599 B8R0.1 CCOC(=O)CCCO Amb22733346 [2,0,0,0,0,0|1,0,1]=4 600 B8R0.1 CCOC(=O)CCCS Amb27424650 [2,0,0,0,0,0|1,0,1]=4 601 B8R0.1 CCOC(=O)CCNC Amb28934933 [2,0,0,0,0,0|1,0,1]=4 602 B8R0.1 CCOC(=O)CCNC Amb9026169 [2,0,0,0,0,0|1,0,1]=4 603 B8R0.1 CCOC(=O)CSCC Amb7755283 [2,0,0,0,0,0|1,0,1]=4 604 B8R0.1 CCOCC(=O)OCC Amb2720920 [2,0,0,0,0,0|1,0,1]=4 605 B8R0.1 CCOCC(=O)OCCl Amb32677195 [2,0,0,0,0,0|2,0,0]=4 606 B8R0.1 C\C=C\C(=O)CCCC Amb22043314 [2,0,0,0,0,0|0,0,2]=4 607 B8R0.1 [C-]#[N+]CC(=O)OCC=C Amb24505032 [2,0,0,0,0,0|1,0,1]=4 608 B8R0.4 C=CCC#CCCCC Amb22228000 [2,0,0,0,0,0|0,0,2]=4 609 B8R0.4 C=CCCCCCCBr Amb3940223 [2,0,0,0,0,0|1,0,1]=4 610 B8R0.4 C=CCCCCCCC Amb3940502 [2,0,0,0,0,0|0,0,1]=3 611 B8R0.4 C=CCCCCCCCl Amb6298879 [2,0,0,0,0,0|1,0,1]=4 612 B8R0.4 C=CCCCCCCI Amb26577493 [2,0,0,0,0,0|1,0,1]=4 613 B8R0.4 C=CCCCCCCN Amb33543931 [2,0,0,0,0,0|1,0,1]=4 614 B8R0.4 C=CCCCCCCO Amb22230162 [2,0,0,0,0,0|1,0,1]=4 615 B8R0.4 C=CCCCCCNC Amb19335339 [2,0,0,0,0,0|1,0,1]=4 616 B8R0.4 C=CCCCCCSC Amb27780646 [2,0,0,0,0,0|1,0,1]=4 617 B8R0.4 C=CCCCCNCC Amb27461423 [2,0,0,0,0,0|1,0,1]=4 618 B8R0.4 C=CCCSCCCC Amb28078650 [2,0,0,0,0,0|1,0,1]=4 619 B8R0.4 C=CCNCCCCC Amb6706493 [2,0,0,0,0,0|1,0,0]=3 620 B8R0.4 C=CCNCCCCCl Amb27815966 [2,0,0,0,0,0|2,0,0]=4 621 B8R0.4 C=CCNCCCCF Amb27798055 [2,0,0,0,0,0|2,0,0]=4 622 B8R0.4 C=CCNCCCCI Amb27596400 [2,0,0,0,0,0|2,0,0]=4 623 B8R0.4 C=CCNCCNCC Amb27185783 [2,0,0,0,0,0|2,0,0]=4 624 B8R0.4 C=CCOCCCC#N Amb9208774 [2,0,0,0,0,0|1,0,1]=4 625 B8R0.4 C=CCOCCCC=O Amb26885457 [2,0,0,0,0,0|1,0,1]=4 626 B8R0.4 C=CCOCCCCCl Amb28072994 [2,0,0,0,0,0|1,0,0]=3 627 B8R0.4 C=CCOCCCCN Amb28345525 [2,0,0,0,0,0|1,0,0]=3 628 B8R0.4 C=CCOCCCCO Amb26022466 [2,0,0,0,0,0|1,0,0]=3 629 B8R0.4 C=CCOCCCCS Amb28068525 [2,0,0,0,0,0|1,0,0]=3 630 B8R0.4 C=CCOCCCNC Amb27948343 [2,0,0,0,0,0|1,0,0]=3 631 B8R0.4 C=CCOCCCSC Amb27868832 [2,0,0,0,0,0|1,0,0]=3 632 B8R0.4 C=CCOCOCCO Amb28049259 [2,0,0,0,0,0|2,0,0]=4 633 B8R0.4 C=CCONCCCC Amb27244013 [2,0,0,0,0,0|1,0,0]=3 634 B8R0.4 C=CCONCCOC Amb27433219 [2,0,0,0,0,0|2,0,0]=4 635 B8R0.4 C=CCSCCCCBr Amb27465812 [2,0,0,0,0,0|1,1,0]=4 636 B8R0.4 C=CCSCCCCC Amb27837635 [2,0,0,0,0,0|0,1,0]=3 637 B8R0.4 C=CCSCCCCCl Amb27795958 [2,0,0,0,0,0|1,1,0]=4 638 B8R0.4 C=CCSCCCCF Amb28184818 [2,0,0,0,0,0|1,1,0]=4 639 B8R0.4 C=CCSCCCCN Amb17500942 [2,0,0,0,0,0|1,1,0]=4 640 B8R0.4 C=CCSCCCNC Amb27975525 [2,0,0,0,0,0|1,1,0]=4 641 B8R0.4 C=CCSCCCSC Amb27628484 [2,0,0,0,0,0|1,1,0]=4 642 B8R0.4 C=CC\C=C\CCNC Amb27813996 [2,0,0,0,0,0|1,0,1]=4 643 B8R0.4 C=CNCCCCCC Amb27398596 [2,0,0,0,0,0|1,0,1]=4 644 B8R0.4 C=COCCCCCC Amb24440550 [2,0,0,0,0,0|0,0,1]=3 645 B8R0.4 C=COCCCNCC Amb6735761 [2,0,0,0,0,0|1,0,1]=4 646 B8R0.4 C=C\C=C\CCCCBr Amb32688174 [2,0,0,0,0,0|1,0,1]=4 647 B8R0.4 C=C\C=C\CCCCC Amb22641683 [2,0,0,0,0,0|0,0,1]=3 648 B8R0.4 C=C\C=C\CCCCCl Amb32688173 [2,0,0,0,0,0|1,0,1]=4 649 B8R0.4 C=C\C=C\CCNCC Amb27873157 [2,0,0,0,0,0|1,0,1]=4 650 B8R0.4 C=C\C=C\CNCCC Amb26967633 [2,0,0,0,0,0|1,0,1]=4 651 B8R0.4 CCCCCCCC=O Amb6891949 [2,0,0,0,0,0|1,0,1]=4 652 B8R0.4 CCCCCCOCC Amb17672946 [2,0,0,0,0,0|0,0,2]=4 653 B8R0.4 CCCCCCOCCl Amb27473208 [2,0,0,0,0,0|1,0,1]=4 654 B8R0.4 CCCCCOCC=O Amb27230502 [2,0,0,0,0,0|1,0,0]=3 655 B8R0.4 CCCCCOCCCl Amb8902963 [2,0,0,0,0,0|1,0,1]=4 656 B8R0.4 CCCCCOCCO Amb22264988 [2,0,0,0,0,0|1,0,1]=4 657 B8R0.4 CCCCCOCCS Amb27752940 [2,0,0,0,0,0|1,0,1]=4 658 B8R0.4 CCCCC\C=C\CBr Amb17666913 [2,0,0,0,0,0|2,0,0]=4 659 B8R0.4 CCCCC\C=C\CO Amb33038088 [2,0,0,0,0,0|2,0,0]=4 660 B8R0.4 CCCC\C=C\OCC Amb17674075 [2,0,0,0,0,0|0,0,2]=4 661 B8R0.4 CCOCCOCC=O Amb33539619 [2,0,0,0,0,0|2,0,0]=4 662 B8R0.4 CC\C=C/CCCCC Amb25258581 [2,0,0,0,0,0|1,0,1]=4 663 B8R0.4 CC\C=C\CCCCC Amb22347893 [2,0,0,0,0,0|1,0,1]=4 664 B8R0.4 CSCCCOCC=O Amb28286017 [2,0,0,0,0,0|2,0,0]=4 665 B8R0.6 C#CC(=O)CCCCC Amb27844075 [2,0,0,0,0,0|0,0,2]=4 666 B8R0.6 C#CCCCC(=O)OC Amb2721693 [2,0,0,0,0,0|0,0,2]=4 667 B8R0.6 C=C(C=O)CCCCC Amb18642442 [2,0,0,0,0,0|2,0,0]=4 668 B8R0.6 C=C(CBr)CCCCC Amb27875113 [2,0,0,0,0,0|2,0,0]=4 669 B8R0.6 C=C(CCCCCl)OC Amb27470874 [2,0,0,0,0,0|2,0,0]=4 670 B8R0.6 C=CC(=O)CCCCC Amb20671146 [2,0,0,0,0,0|0,0,0]=2 671 B8R0.6 C=CC(=O)CC\C=C/C Amb27838702 [2,0,0,0,0,0|0,0,2]=4 672 B8R0.6 C=CC(=O)COCCN Amb27410002 [2,0,0,0,0,0|2,0,0]=4 673 B8R0.6 C=CC(=O)CSCCC Amb28041993 [2,0,0,0,0,0|1,0,0]=3 674 B8R0.6 C=CC(=O)C\C=C/CC Amb27838780 [2,0,0,0,0,0|0,0,2]=4 675 B8R0.6 C=CC(=O)C\C=C\CC Amb24574125 [2,0,0,0,0,0|0,0,2]=4 676 B8R0.6 C=CC(=O)NCCCC Amb9480528 [2,0,0,0,0,0|1,0,0]=3 677 B8R0.6 C=CC(=O)NCCCO Amb33531592 [2,0,0,0,0,0|2,0,0]=4 678 B8R0.6 C=CC(=O)NCCOC Amb9480397 [2,0,0,0,0,0|2,0,0]=4 679 B8R0.6 C=CC(=O)OCCCC Amb3940493 [2,0,0,0,0,0|1,0,0]=3 680 B8R0.6 C=CC(=O)OCCCC Amb3940920 [2,0,0,0,0,0|1,0,0]=3 681 B8R0.6 C=CC(=O)OCCCN Amb24120374 [2,0,0,0,0,0|2,0,0]=4 682 B8R0.6 C=CC(=O)OCCCN Amb30585183 [2,0,0,0,0,0|2,0,0]=4 683 B8R0.6 C=CC(=O)OCCCO Amb22167329 [2,0,0,0,0,0|2,0,0]=4 684 B8R0.6 C=CC(=O)OCCOC Amb8515845 [2,0,0,0,0,0|2,0,0]=4 685 B8R0.6 C=CC(=O)OCCSC Amb17940077 [2,0,0,0,0,0|2,0,0]=4 686 B8R0.6 C=CC(=O)\C=C\CCC Amb33448444 [2,0,0,0,0,0|0,0,2]=4 687 B8R0.6 C=CC(C)CCCCC Amb27963700 [2,0,0,0,0,0|1,0,1]=4 688 B8R0.6 C=CC(O)CCCCC Amb3940384 [2,0,0,0,0,0|0,0,2]=4 689 B8R0.6 C=CCCCC(=O)OC Amb22730759 [2,0,0,0,0,0|0,0,2]=4 690 B8R0.6 C=C[C@@H](O)CCCCC Amb8513277 [2,0,0,0,0,0|0,0,2]=4 691 B8R0.6 C=C[C@H](Cl)CCCCC Amb27863541 [2,0,0,0,0,0|1,0,1]=4 692 B8R0.6 C=C[C@H](O)CCCCC Amb8515093 [2,0,0,0,0,0|0,0,2]=4 693 B8R0.6 CCC(=O)CCCCO Amb27867195 [2,0,0,0,0,0|1,0,1]=4 694 B8R0.6 CCCC#CC(=O)OC Amb8517413 [2,0,0,0,0,0|0,0,2]=4 695 B8R0.6 CCCCCC(=O)CC Amb8513554 [2,0,0,0,0,0|0,0,1]=3 696 B8R0.6 CCCCCC(=O)CO Amb27956467 [2,0,0,0,0,0|1,0,0]=3 697 B8R0.6 CCCCCC(=O)CS Amb27750258 [2,0,0,0,0,0|1,0,0]=3 698 B8R0.6 CCCCCC(=O)NN Amb6540616 [2,0,0,0,0,0|2,0,0]=4 699 B8R0.6 CCCCCC(=O)NO Amb2720996 [2,0,0,0,0,0|2,0,0]=4 700 B8R0.6 CCCCCC(=O)OC Amb6608968 [2,0,0,0,0,0|0,0,0]=2 701 B8R0.6 CCCCC\C(C)=C\Br Amb27831352 [2,0,0,0,0,0|2,0,0]=4 702 B8R0.6 CCCCC\C(F)=C/Br Amb27983714 [2,0,0,0,0,0|2,0,0]=4 703 B8R0.6 CCCCNC(=O)CBr Amb17327510 [2,0,0,0,0,0|2,0,0]=4 704 B8R0.6 CCCCNC(=O)CC Amb3373336 [2,0,0,0,0,0|1,0,1]=4 705 B8R0.6 CCCCNC(=O)CCl Amb1204239 [2,0,0,0,0,0|2,0,0]=4 706 B8R0.6 CCCCNC(=O)CN Amb21958688 [2,0,0,0,0,0|2,0,0]=4 707 B8R0.6 CCCCNC(=O)CN Amb5783028 [2,0,0,0,0,0|2,0,0]=4 708 B8R0.6 CCCCNC(=O)CO Amb5798171 [2,0,0,0,0,0|2,0,0]=4 709 B8R0.6 CCCCNC(=O)NC Amb1060752 [2,0,0,0,0,0|2,0,0]=4 710 B8R0.6 CCCCNC(=O)OC Amb3364701 [2,0,0,0,0,0|1,0,0]=3 711 B8R0.6 CCCCOC(=O)C=O Amb3941041 [2,0,0,0,0,0|2,0,0]=4 712 B8R0.6 CCCCOC(=O)CCl Amb2724515 [2,0,0,0,0,0|2,0,0]=4 713 B8R0.6 CCCCOC(=O)CN Amb19373374 [2,0,0,0,0,0|2,0,0]=4 714 B8R0.6 CCCCOC(=O)CN Amb3939626 [2,0,0,0,0,0|2,0,0]=4 715 B8R0.6 CCCCOC(=O)CO Amb9277787 [2,0,0,0,0,0|2,0,0]=4 716 B8R0.6 CCCCOC(=O)CS Amb4034596 [2,0,0,0,0,0|2,0,0]=4 717 B8R0.6 CCCCOC(=O)C[NH3+] Amb22733556 [2,0,0,0,0,0|2,0,0]=4 718 B8R0.6 CCCCOC(=O)NC Amb24680085 [2,0,0,0,0,0|2,0,0]=4 719 B8R0.6 CCCCOC(=O)OC Amb25921901 [2,0,0,0,0,0|1,0,0]=3 720 B8R0.6 CCCCSC(=O)CBr Amb27627822 [2,0,0,0,0,0|2,0,0]=4 721 B8R0.6 CCCCSC(=O)CCl Amb27660104 [2,0,0,0,0,0|2,0,0]=4 722 B8R0.6 CCCNCC(=O)NC Amb6714452 [2,0,0,0,0,0|2,0,0]=4 723 B8R0.6 CCCNCC(=O)OC Amb28934926 [2,0,0,0,0,0|1,0,0]=3 724 B8R0.6 CCCNCC(=O)OC Amb6687123 [2,0,0,0,0,0|1,0,0]=3 725 B8R0.6 CCCOCC(=O)CBr Amb28319117 [2,0,0,0,0,0|2,0,0]=4 726 B8R0.6 CCCOCC(=O)CC Amb27837457 [2,0,0,0,0,0|1,0,1]=4 727 B8R0.6 CCCOCC(=O)CCl Amb27882673 [2,0,0,0,0,0|2,0,0]=4 728 B8R0.6 CCCSCC(=O)CC Amb27837484 [2,0,0,0,0,0|1,0,1]=4 729 B8R0.6 CCCSCC(=O)NC Amb27162536 [2,0,0,0,0,0|2,0,0]=4 730 B8R0.6 CCCSCC(=O)OC Amb7753194 [2,0,0,0,0,0|1,0,0]=3 731 B8R0.6 CCC\C=C/C(=O)OC Amb27423496 [2,0,0,0,0,0|0,0,2]=4 732 B8R0.6 CCC\C=C\C(=O)OC Amb6366801 [2,0,0,0,0,0|0,0,2]=4 733 B8R0.6 CCNCCC(=O)NC Amb28423128 [2,0,0,0,0,0|2,0,0]=4 734 B8R0.6 CCNCCC(=O)NC Amb33528495 [2,0,0,0,0,0|2,0,0]=4 735 B8R0.6 CCNCCC(=O)OC Amb6739987 [2,0,0,0,0,0|1,0,0]=3 736 B8R0.6 CCOCCC(=N)OC Amb27606548 [2,0,0,0,0,0|2,0,0]=4 737 B8R0.6 CCOCCC(=N)OC Amb32653542 [2,0,0,0,0,0|2,0,0]=4 738 B8R0.6 CCOCCC(=O)CC Amb27837472 [2,0,0,0,0,0|1,0,1]=4 739 B8R0.6 CCOCCC(=O)CCl Amb27591059 [2,0,0,0,0,0|2,0,0]=4 740 B8R0.6 CCOCCC(=O)CN Amb27253736 [2,0,0,0,0,0|2,0,0]=4 741 B8R0.6 CCOCCC(=O)OC Amb7773814 [2,0,0,0,0,0|1,0,0]=3 742 B8R0.6 CCSCCC(=O)OC Amb4016403 [2,0,0,0,0,0|1,0,0]=3 743 B8R0.6 CC\C=C\CC(=O)OC Amb8517644 [2,0,0,0,0,0|0,0,2]=4 744 B8R0.6 CNC(=O)CCCCBr Amb17235862 [2,0,0,0,0,0|2,0,0]=4 745 B8R0.6 CNC(=O)CCCCN Amb27220816 [2,0,0,0,0,0|2,0,0]=4 746 B8R0.6 CNC(=O)CCCCO Amb17231874 [2,0,0,0,0,0|2,0,0]=4 747 B8R0.6 CNC(=O)CCCSC Amb18411875 [2,0,0,0,0,0|2,0,0]=4 748 B8R0.6 CNCCCC(=O)NC Amb18303609 [2,0,0,0,0,0|2,0,0]=4 749 B8R0.6 CNCCCC(=O)NC Amb22098814 [2,0,0,0,0,0|2,0,0]=4 750 B8R0.6 CNCCCC(=O)OC Amb7969745 [2,0,0,0,0,0|1,0,0]=3 751 B8R0.6 CNCCCC(=O)OC Amb8841493 [2,0,0,0,0,0|1,0,0]=3 752 B8R0.6 COC(=N)CCCCCl Amb32941935 [2,0,0,0,0,0|2,0,0]=4 753 B8R0.6 COC(=O)CCCC#N Amb8961157 [2,0,0,0,0,0|1,0,1]=4 754 B8R0.6 COC(=O)CCCCBr Amb3940220 [2,0,0,0,0,0|1,0,0]=3 755 B8R0.6 COC(=O)CCCCCl Amb3940767 [2,0,0,0,0,0|1,0,0]=3 756 B8R0.6 COC(=O)CCCCI Amb4018545 [2,0,0,0,0,0|1,0,0]=3 757 B8R0.6 COC(=O)CCCCN Amb13951283 [2,0,0,0,0,0|1,0,0]=3 758 B8R0.6 COC(=O)CCCCN Amb18642844 [2,0,0,0,0,0|1,0,0]=3 759 B8R0.6 COC(=O)CCCCO Amb22641583 [2,0,0,0,0,0|1,0,0]=3 760 B8R0.6 COC(=O)CCCCS Amb27218229 [2,0,0,0,0,0|1,0,0]=3 761 B8R0.6 COC(=O)CCCON Amb25266351 [2,0,0,0,0,0|2,0,0]=4 762 B8R0.6 COC(=O)CCCON Amb32753844 [2,0,0,0,0,0|2,0,0]=4 763 B8R0.6 COC(=O)CNCCF Amb27175508 [2,0,0,0,0,0|2,0,0]=4 764 B8R0.6 COC(=O)CNCCN Amb27755951 [2,0,0,0,0,0|2,0,0]=4 765 B8R0.6 COC(=O)CNCCS Amb28285258 [2,0,0,0,0,0|2,0,0]=4 766 B8R0.6 COC(=O)COCCBr Amb27657286 [2,0,0,0,0,0|2,0,0]=4 767 B8R0.6 COC(=O)COCCCl Amb8389878 [2,0,0,0,0,0|2,0,0]=4 768 B8R0.6 COC(=O)COCCN Amb24401799 [2,0,0,0,0,0|2,0,0]=4 769 B8R0.6 COC(=O)COCCN Amb33495145 [2,0,0,0,0,0|2,0,0]=4 770 B8R0.6 COC(=O)COCCO Amb24113538 [2,0,0,0,0,0|2,0,0]=4 771 B8R0.6 COC(=O)CSCCN Amb19268671 [2,0,0,0,0,0|2,0,0]=4 772 B8R0.6 COC(=O)CSCCN Amb6272538 [2,0,0,0,0,0|2,0,0]=4 773 B8R0.6 COC(=O)CSCCO Amb9245011 [2,0,0,0,0,0|2,0,0]=4 774 B8R0.6 COC(=O)NCCCF Amb27968335 [2,0,0,0,0,0|2,0,0]=4 775 B8R0.6 COC(=O)OCCCF Amb24088642 [2,0,0,0,0,0|2,0,0]=4 776 B8R0.6 COCCCC(=O)CCl Amb28255500 [2,0,0,0,0,0|2,0,0]=4 777 B8R0.6 COCCCC(=O)CN Amb27632511 [2,0,0,0,0,0|2,0,0]=4 778 B8R0.6 COCCCC(=O)OC Amb8952328 [2,0,0,0,0,0|1,0,0]=3 779 B8R0.6 COCCNC(=O)OC Amb3361553 [2,0,0,0,0,0|2,0,0]=4 780 B8R0.6 COCCOC(=O)OC Amb26026830 [2,0,0,0,0,0|2,0,0]=4 781 B8R0.6 COCSCC(=O)OC Amb27972043 [2,0,0,0,0,0|2,0,0]=4 782 B8R0.6 CONCCC(=O)OC Amb26511384 [2,0,0,0,0,0|2,0,0]=4 783 B8R0.6 [C-]#[N+]CCCC(=O)OC Amb2688933 [2,0,0,0,0,0|1,0,1]=4 784 B10R0.1 C=CCC(=O)NCCC#CC Amb27989832 [1,1,0,0,0,0|0,0,2]=4 785 B10R0.1 C=CCCCCC(=O)OCC Amb6298911 [1,1,0,0,0,0|0,0,2]=4 786 B10R0.1 CCCCC#CC(=O)OCC Amb2721492 [1,1,0,0,0,0|0,0,2]=4 787 B10R0.1 CCCCCCC(=O)CCC Amb8513848 [1,1,0,0,0,0|0,0,2]=4 788 B10R0.1 CCCCCCC(=O)OCC Amb8515401 [1,1,0,0,0,0|0,0,1]=3 789 B10R0.1 CCCCCNC(=O)CC#N Amb1225537 [1,1,0,0,0,0|1,0,1]=4 790 B10R0.1 CCCCCNC(=O)CCC Amb3366667 [1,1,0,0,0,0|0,0,2]=4 791 B10R0.1 CCCCCNC(=O)CCCl Amb6246121 [1,1,0,0,0,0|1,0,1]=4 792 B10R0.1 CCCCCNC(=O)CCN Amb5785074 [1,1,0,0,0,0|1,0,1]=4 793 B10R0.1 CCCCCNC(=O)CNC Amb6268709 [1,1,0,0,0,0|1,0,1]=4 794 B10R0.1 CCCCNCC(=O)OCC Amb6709616 [1,1,0,0,0,0|0,0,1]=3 795 B10R0.1 CCCNCCC(=O)OCC Amb8867150 [1,1,0,0,0,0|0,0,1]=3 796 B10R0.1 CCNCCCC(=O)NCC Amb33229013 [1,1,0,0,0,0|1,0,1]=4 797 B10R0.1 CCNCCCC(=O)OCC Amb33228999 [1,1,0,0,0,0|0,0,1]=3 798 B10R0.1 CCOC(=O)CCCCC#N Amb32665125 [1,1,0,0,0,0|0,0,2]=4 799 B10R0.1 CCOC(=O)CCCCCBr Amb2720508 [1,1,0,0,0,0|0,0,1]=3 800 B10R0.1 CCOC(=O)CCCCCCl Amb32665801 [1,1,0,0,0,0|0,0,1]=3 801 B10R0.1 CCOC(=O)CCCCCN Amb10553125 [1,1,0,0,0,0|0,0,1]=3 802 B10R0.1 CCOC(=O)CCCCCN Amb6479233 [1,1,0,0,0,0|0,0,1]=3 803 B10R0.1 CCOC(=O)CCCCCO Amb3939201 [1,1,0,0,0,0|0,0,1]=3 804 B10R0.1 CCOC(=O)CCCCNC Amb33803534 [1,1,0,0,0,0|0,0,1]=3 805 B10R0.1 CCOC(=O)CCNCCN Amb18792258 [1,1,0,0,0,0|1,0,1]=4 806 B10R0.1 CCOC(=O)CNCCOC Amb33527977 [1,1,0,0,0,0|1,0,1]=4 807 B10R0.1 CCOC(=O)COCCOC Amb9206378 [1,1,0,0,0,0|1,0,1]=4 808 B10R0.2 CCCC(=O)CC(=O)OCC Amb2725457 [1,1,0,0,0,0|0,0,2]=4 809 B10R0.2 CCCC(N)CC(=O)OCC Amb10607611 [1,1,0,0,0,0|0,0,1]=3 810 B10R0.2 CCCC(N)CC(=O)OCC Amb22586906 [1,1,0,0,0,0|0,0,1]=3 811 B10R0.2 CCCC(O)CC(=O)OCC Amb10807459 [1,1,0,0,0,0|0,0,1]=3 812 B10R0.2 CCC[C@H](N)CC(=O)OCC Amb33804241 [1,1,0,0,0,0|0,0,1]=3 813 B10R0.2 CCNC(C)CC(=O)OCC Amb8428161 [1,1,0,0,0,0|1,0,1]=4 814 B10R0.2 CCOC(=O)CC(C)CCN Amb33804546 [1,1,0,0,0,0|1,0,1]=4 815 B10R0.2 CCOC(=O)CC(C)SCC Amb18804594 [1,1,0,0,0,0|1,0,1]=4 816 B10R0.2 CCOC(=O)CC(N)COC Amb33254656 [1,1,0,0,0,0|1,0,1]=4 817 B10R0.2 CCOC(=O)CC(O)COC Amb4035422 [1,1,0,0,0,0|1,0,1]=4 818 B10R0.2 CCOC(=O)C[C@@H](N)COC Amb33802483 [1,1,0,0,0,0|1,0,1]=4 819 B10R0.2 CCOC(=O)C[C@H](O)CCN Amb8631701 [1,1,0,0,0,0|1,0,1]=4 820 B10R0.3 C=C(C)CCCC(=O)OCC Amb6298922 [1,1,0,0,0,0|0,0,2]=4 821 B10R0.3 CCOC(=O)CCCC(C)=O Amb4605993 [1,1,0,0,0,0|0,0,2]=4 822 B10R0.3 CCOC(=O)CCCC(C)C Amb33734423 [1,1,0,0,0,0|0,0,1]=3 823 B10R0.3 CCOC(=O)CCCC(C)N Amb33803847 [1,1,0,0,0,0|0,0,1]=3 824 B10R0.3 CCOC(=O)CCCC(C)O Amb30982937 [1,1,0,0,0,0|0,0,1]=3 825 B10R0.3 CCOC(=O)CCCN(C)C Amb2782901 [1,1,0,0,0,0|1,0,1]=4 826 B10R0.3 CCOC(=O)CCNC(C)C Amb19887847 [1,1,0,0,0,0|1,0,1]=4 827 B10R0.3 CCOC(=O)CCNC(C)C Amb9026173 [1,1,0,0,0,0|1,0,1]=4 828 B10R0.3 CCOC(=O)CNCC(C)C Amb32410418 [1,1,0,0,0,0|1,0,1]=4 829 B10R0.3 CCOC(=O)CNCC(C)C Amb6707300 [1,1,0,0,0,0|1,0,1]=4 830 B10R0.3 CCOC(=O)COCC(C)C Amb9206381 [1,1,0,0,0,0|1,0,1]=4 831 B10R0.6 C=C(C)NC(=O)NCCCC Amb28187968 [1,1,0,0,0,0|2,0,0]=4 832 B10R0.6 C=C(C)NC(=O)OCCCC Amb27673430 [1,1,0,0,0,0|2,0,0]=4 833 B10R0.6 CCCCCC(=O)CC(C)C Amb18182142 [1,1,0,0,0,0|0,0,2]=4 834 B10R0.6 CCCCCC(=O)NC(=N)N Amb25386165 [1,1,0,0,0,0|2,0,0]=4 835 B10R0.6 CCCCCC(=O)NC(N)=S Amb9793620 [1,1,0,0,0,0|2,0,0]=4 836 B10R0.6 CCCCNC(=O)CC(C)=O Amb4025888 [1,1,0,0,0,0|1,0,1]=4 837 B10R0.6 CCCCNC(=O)CC(N)=S Amb9206987 [1,1,0,0,0,0|2,0,0]=4 838 B10R0.6 CCCCOC(=O)CC(C)=O Amb2412117 [1,1,0,0,0,0|1,0,1]=4 839 B10R0.6 CCCCOC(=O)OC(C)Cl Amb33069003 [1,1,0,0,0,0|1,0,1]=4 840 B10R0.6 CCOCCC(=O)CC(C)=O Amb18182347 [1,1,0,0,0,0|1,0,1]=4 841 B10R0.19 CCCCC(=O)C(=O)OCC Amb10603615 [1,1,0,0,0,0|0,0,2]=4 842 B10R0.19 CCCCC(Br)C(=O)OCC Amb3939967 [1,1,0,0,0,0|0,0,1]=3 843 B10R0.19 CCCCC(N)C(=O)NCC Amb18179826 [1,1,0,0,0,0|1,0,1]=4 844 B10R0.19 CCCCC(N)C(=O)OCC Amb2786375 [1,1,0,0,0,0|0,0,1]=3 845 B10R0.19 CCCC[C@@H](N)C(=O)OCC Amb33804647 [1,1,0,0,0,0|0,0,1]=3 846 B10R0.19 CCCC[C@H](N)C(=O)OCC Amb33803846 [1,1,0,0,0,0|0,0,1]=3 847 B10R0.19 CCCNC(C)C(=O)OCC Amb18792092 [1,1,0,0,0,0|1,0,1]=4 848 B10R0.19 CCCNC(C)C(=O)OCC Amb33528413 [1,1,0,0,0,0|1,0,1]=4 849 B10R0.19 CCOC(=O)C(Br)CCCBr Amb22234280 [1,1,0,0,0,0|1,0,1]=4 850 B10R0.19 CCOC(=O)C(C)CCCN Amb33803188 [1,1,0,0,0,0|1,0,1]=4 851 B10R0.19 CCOC(=O)C(N)CCCF Amb33036729 [1,1,0,0,0,0|1,0,1]=4 852 B10R0.19 CCOC(=O)C(N)CCCO Amb33309108 [1,1,0,0,0,0|1,0,1]=4 853 B10R0.19 CCOC(=O)C(N)CCOC Amb18183465 [1,1,0,0,0,0|1,0,1]=4 854 B10R0.19 CCOC(=O)C(N)CCOC Amb31188257 [1,1,0,0,0,0|1,0,1]=4 855 B10R0.19 CCOC(=O)C(N)CCSC Amb17758560 [1,1,0,0,0,0|1,0,1]=4 856 B10R0.19 CCOC(=O)C(N)CCSC Amb2719833 [1,1,0,0,0,0|1,0,1]=4 857 B10R0.19 CCOC(=O)C(O)CCSC Amb33529798 [1,1,0,0,0,0|1,0,1]=4 858 B10R0.19 CCOC(=O)[C@@H](N)CCCN Amb16234080 [1,1,0,0,0,0|1,0,1]=4 859 B10R0.19 CCOC(=O)[C@@H](N)CCCN Amb22745899 [1,1,0,0,0,0|1,0,1]=4 860 B10R0.19 CCOC(=O)[C@@H](N)CCSC Amb2720481 [1,1,0,0,0,0|1,0,1]=4 861 B10R0.19 CCOC(=O)[C@@H](N)CCSC Amb2725102 [1,1,0,0,0,0|1,0,1]=4 862 B10R0.19 CCOC(=O)[C@H](N)CCSC Amb16183948 [1,1,0,0,0,0|1,0,1]=4 863 B10R0.19 CCOC(=O)[C@H](N)CCSC Amb8628591 [1,1,0,0,0,0|1,0,1]=4 864 B10R0.19 CCOCC(N)C(=O)OCC Amb33527129 [1,1,0,0,0,0|1,0,1]=4 865 B10R0.19 CCOCC(N)C(=O)OCC Amb6740294 [1,1,0,0,0,0|1,0,1]=4 866 B10R0.24 C=CCC(CBr)CCCCC Amb32689430 [1,1,0,0,0,0|1,0,1]=4 867 B10R0.24 C=CCC(CCl)CCCCC Amb32689474 [1,1,0,0,0,0|1,0,1]=4 868 B10R0.83 CCCCCC(=O)C(C)CC Amb3940687 [1,1,0,0,0,0|0,0,2]=4 869 B10R0.108 CCOC(=O)CCC(=O)CC Amb6305806 [1,1,0,0,0,0|0,0,2]=4 870 B10R0.108 CCOC(=O)CCC(N)CC Amb33036404 [1,1,0,0,0,0|0,0,1]=3 871 B10R0.108 CCOC(=O)CCC(O)CC Amb18797776 [1,1,0,0,0,0|0,0,1]=3 872 B10R0.156 C=CCS(=O)(=O)CCCCN Amb17501043 [1,1,0,0,0,0|2,0,0]=4 873 B10R0.18 C=CC(C)NC(=O)NCCC Amb28387554 [1,1,0,0,0,0|2,0,0]=4 874 B10R0.18 C=CCNC(=O)NC(C)CC Amb2178685 [1,1,0,0,0,0|2,0,0]=4 875 B10R0.18 C=CCOC(=O)N[C@@H](C)CO Amb32410800 [1,1,0,0,0,0|2,0,0]=4 876 B10R0.18 CCC(C)CC(=O)OCCBr Amb33276584 [1,1,0,0,0,0|1,0,1]=4 877 B10R0.78 C=C(Br)CNC(=O)NCCC Amb27988142 [1,1,0,0,0,0|2,0,0]=4 878 B10R0.78 C=C(Cl)CNC(=O)NCCC Amb27988456 [1,1,0,0,0,0|2,0,0]=4 879 B10R0.78 C=CCNC(=O)NCC(C)C Amb16948217 [1,1,0,0,0,0|2,0,0]=4 880 B10R0.78 C=CCNC(=O)NCC(C)N Amb27271471 [1,1,0,0,0,0|2,0,0]=4 881 B10R0.78 C=CCNC(=O)NCC(C)O Amb28352015 [1,1,0,0,0,0|2,0,0]=4 882 B10R0.78 C=CCNC(=O)NC[C@H](C)O Amb27989037 [1,1,0,0,0,0|2,0,0]=4 883 B10R0.78 C=CCOC(=O)CCC(=O)O Amb6542993 [1,1,0,0,0,0|1,0,1]=4 884 B10R0.78 CC(C)CCC(=O)OCCBr Amb33050565 [1,1,0,0,0,0|1,0,1]=4 885 B10R0.78 CCCCC(=O)CCC(=O)O Amb6305230 [1,1,0,0,0,0|2,0,0]=4 886 B10R0.78 CCCCC(=O)NCC(=O)O Amb2794084 [1,1,0,0,0,0|2,0,0]=4 887 B10R0.78 CCCCC(=O)OCC(C)Br Amb33276506 [1,1,0,0,0,0|0,0,2]=4 888 B10R0.78 CCCOC(=O)CCC(C)C Amb9243054 [1,1,0,0,0,0|0,0,2]=4 889 B10R0.4 C=C(Br)CCCCCCCC Amb6298935 [1,1,0,0,0,0|1,0,1]=4 890 B10R0.4 C=C(C)CCCCCCCC Amb6298941 [1,1,0,0,0,0|1,0,1]=4 891 B10R0.4 C=C(C)CNCCCCCC Amb17308745 [1,1,0,0,0,0|1,0,1]=4 892 B10R0.4 C=C(Cl)CCCCCCCC Amb6298929 [1,1,0,0,0,0|1,0,1]=4 893 B10R0.4 C=CCCCCCC[C@@H](C)O Amb30594444 [1,1,0,0,0,0|1,0,1]=4 894 B10R0.4 CCCCCCOCC(=O)O Amb7790032 [1,1,0,0,0,0|1,0,1]=4 895 B10R0.71 C=CCCCCCCCCBr Amb9786895 [1,1,0,0,0,0|1,0,1]=4 896 B10R0.71 C=CCCCCCCCCN Amb28652858 [1,1,0,0,0,0|1,0,1]=4 897 B10R0.71 C=CCCCCCCCCN Amb32653011 [1,1,0,0,0,0|1,0,1]=4 898 B10R0.71 C=CCCCCCCCCO Amb6364973 [1,1,0,0,0,0|1,0,1]=4 899 B10R0.71 C=C\C=C/C=C/CCCCC Amb22546765 [1,1,0,0,0,0|1,0,1]=4 900 B10R0.71 CCCCC\C=C\C=C\C=O Amb8392854 [1,1,0,0,0,0|1,0,1]=4 901 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [1,1,0,0,0,0|1,0,1]=4 902 B10R0.71 C\C=C/C\C=C/CCCCC Amb22546768 [1,1,0,0,0,0|1,0,0]=3 903 B10R0.74 C=CC(C)\C=C/CCCCC Amb22546637 [1,1,0,0,0,0|1,0,0]=3 904 B10R0.74 C=CCCCCCC(C)CC Amb33457233 [1,1,0,0,0,0|1,0,1]=4 905 B12R0.252 C=CCOC(=O)[C@@H](N)CC(=O)OC Amb33803039 [0,2,0,0,0,0|1,0,1]=4 906 B12R0.351 CCCCC(CC)C(=O)OCCC Amb9273975 [0,2,0,0,0,0|0,0,2]=4 907 B12R0.648 NCCCCC(N)C(=O)OCCN Amb32416041 [0,2,0,0,0,0|1,0,1]=4 908 B12R0.142 CCCCCC(=O)OCC(Br)CC Amb33276532 [0,2,0,0,0,0|0,0,2]=4 909 B12R0.142 CCCCCC(=O)OCC(C)CC Amb24061295 [0,2,0,0,0,0|0,0,2]=4 910 B12R0.255 C=C(C)COC(=O)CCCCCC Amb22641514 [0,2,0,0,0,0|0,0,0]=2 911 B12R0.255 C=C(F)COC(=O)CCCCCC Amb22641507 [0,2,0,0,0,0|0,0,0]=2 912 B12R0.255 CCCCCCC(=O)NCC(=O)O Amb9013683 [0,2,0,0,0,0|2,0,0]=4 913 B12R0.255 CCCCCNC(=O)CCC(=O)Cl Amb17143340 [0,2,0,0,0,0|2,0,0]=4 914 B12R0.255 CCCCCNC(=O)CCC(N)=O Amb17143033 [0,2,0,0,0,0|2,0,0]=4 915 B12R0.649 CCCCCC(=O)OCC(C)(C)Br Amb33276535 [0,2,0,0,0,0|0,0,2]=4 916 B12R0.47 CCCCCOC(=O)CCCCC Amb4017930 [0,2,0,0,0,0|0,0,2]=4 917 B12R0.95 C=CCOC(=O)COCCC(C)C Amb8394559 [0,2,0,0,0,0|0,0,0]=2 918 B12R0.113 C=CC(C)NC(=S)NCCCCC Amb33190203 [0,2,0,0,0,0|1,1,0]=4 919 B12R0.206 C=CCOC(=O)NCCCCCN Amb22348047 [0,2,0,0,0,0|0,0,0]=2 920 B12R0.206 C=CCOC(=O)NCCOCCO Amb32410801 [0,2,0,0,0,0|1,0,0]=3 921 B12R0.233 CCCCCC(=O)CCCC(=O)O Amb6305235 [0,2,0,0,0,0|1,0,1]=4 922 B12R0.233 CCCCNC(=O)COCC(=O)O Amb1888825 [0,2,0,0,0,0|2,0,0]=4 923 B12R0.104 C=CCOC(=O)NCCS(C)(=O)=O Amb32410903 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.10 C=CCC1=CC(N)CCC1 Amb27667517 [1,0,0,1,0,0|2,0,0]=4 925 B10R1.10 C=CCC1CCCC(C)N1 Amb27837976 [1,0,0,1,0,0|1,0,1]=4 926 B10R1.10 C=CCN1CCCC(C)C1 Amb28381562 [1,0,0,1,0,0|2,0,0]=4 927 B10R1.10 C=CCN1CCC[C@H](C)C1 Amb27254971 [1,0,0,1,0,0|2,0,0]=4 928 B10R1.10 C=CC[C@@H]1CCC[C@@H](C)N1 Amb28072043 [1,0,0,1,0,0|1,0,1]=4 929 B10R1.10 CCCC1CC(=O)C=CN1 Amb28250951 [1,0,0,1,0,0|1,0,1]=4 930 B10R1.10 CCCC1CC(=O)CCN1 Amb18643754 [1,0,0,1,0,0|1,0,1]=4 931 B10R1.10 CCCC1CC(=O)CCN1 Amb22235732 [1,0,0,1,0,0|1,0,1]=4 932 B10R1.10 CCCC1CC(=O)CCO1 Amb24661952 [1,0,0,1,0,0|1,0,1]=4 933 B10R1.10 CCCC1CC(=O)CCS1 Amb25759710 [1,0,0,1,0,0|1,0,1]=4 934 B10R1.10 CCCC1CCCC(=O)C1 Amb22754799 [1,0,0,1,0,0|0,0,2]=4 935 B10R1.10 CCCC1CCNC(=O)C1 Amb26026704 [1,0,0,1,0,0|1,0,1]=4 936 B10R1.10 CCC[C@@H]1CC(=O)C=CN1 Amb27850175 [1,0,0,1,0,0|1,0,1]=4 937 B10R1.10 CCC[C@H]1C=CCC(=O)N1 Amb28363911 [1,0,0,1,0,0|1,0,0]=3 938 B10R1.10 CCC[C@H]1CC(=O)CCN1 Amb27208619 [1,0,0,1,0,0|1,0,1]=4 939 B10R1.10 CCC[C@H]1CCCC(=O)C1 Amb27436290 [1,0,0,1,0,0|0,0,2]=4 940 B10R1.11 C=CCC(=O)C1CCCN1 Amb24671015 [1,0,0,1,0,0|1,0,0]=3 941 B10R1.11 C=CCC(=O)C1CCNC1 Amb26366640 [1,0,0,1,0,0|1,0,0]=3 942 B10R1.11 C=CCC(=O)C1CCOC1 Amb27205581 [1,0,0,1,0,0|1,0,0]=3 943 B10R1.11 C=CCC(=O)N1CCCC1 Amb27979726 [1,0,0,1,0,0|1,0,0]=3 944 B10R1.11 C=CCC(=O)N1CCCN1 Amb27441113 [1,0,0,1,0,0|2,0,0]=4 945 B10R1.11 C=CCC(=O)[C@@H]1CCCN1 Amb35659975 [1,0,0,1,0,0|1,0,0]=3 946 B10R1.11 C=CCC(=O)[C@@H]1CCNC1 Amb35603319 [1,0,0,1,0,0|1,0,0]=3 947 B10R1.11 C=CCC(=O)[C@H]1CCCN1 Amb35659559 [1,0,0,1,0,0|1,0,0]=3 948 B10R1.11 C=CCC(=O)[C@H]1CCNC1 Amb35659758 [1,0,0,1,0,0|1,0,0]=3 949 B10R1.11 C=CC[C@@H](N)C1CCCC1 Amb27975693 [1,0,0,1,0,0|1,0,1]=4 950 B10R1.11 C=CC[C@H](O)C1CCCC1 Amb27805427 [1,0,0,1,0,0|0,0,2]=4 951 B10R1.11 CCCC(=O)C1CCCC1 Amb24559741 [1,0,0,1,0,0|0,0,2]=4 952 B10R1.11 CCNC(=O)C1CCCC1 Amb8343403 [1,0,0,1,0,0|1,0,1]=4 953 B10R1.11 CCOC(=N)C1CCCC1 Amb24464432 [1,0,0,1,0,0|1,0,1]=4 954 B10R1.11 CCOC(=O)C1CCCC1 Amb9242917 [1,0,0,1,0,0|0,0,1]=3 955 B10R1.11 CCOC(=O)C1CCCN1 Amb32712074 [1,0,0,1,0,0|1,0,1]=4 956 B10R1.11 CCOC(=O)C1CCCN1 Amb9206208 [1,0,0,1,0,0|1,0,1]=4 957 B10R1.11 CCOC(=O)C1CCCO1 Amb8392935 [1,0,0,1,0,0|1,0,1]=4 958 B10R1.11 CCOC(=O)C1CCNC1 Amb13887211 [1,0,0,1,0,0|1,0,1]=4 959 B10R1.11 CCOC(=O)C1CCNC1 Amb17740007 [1,0,0,1,0,0|1,0,1]=4 960 B10R1.11 CCOC(=O)C1CCOC1 Amb10844811 [1,0,0,1,0,0|1,0,1]=4 961 B10R1.11 CCOC(=O)C1CCSC1 Amb25761644 [1,0,0,1,0,0|1,0,1]=4 962 B10R1.11 CCOC(=O)N1CCCC1 Amb17846863 [1,0,0,1,0,0|1,0,1]=4 963 B10R1.11 CCOC(=O)[C@@H]1CCCN1 Amb15692005 [1,0,0,1,0,0|1,0,1]=4 964 B10R1.11 CCOC(=O)[C@@H]1CCCN1 Amb22746877 [1,0,0,1,0,0|1,0,1]=4 965 B10R1.11 CCOC(=O)[C@@H]1CCCO1 Amb26550140 [1,0,0,1,0,0|1,0,1]=4 966 B10R1.11 CCOC(=O)[C@@H]1CCNC1 Amb20670974 [1,0,0,1,0,0|1,0,1]=4 967 B10R1.11 CCOC(=O)[C@@H]1CCNC1 Amb22737482 [1,0,0,1,0,0|1,0,1]=4 968 B10R1.11 CCOC(=O)[C@H]1CCCN1 Amb22230604 [1,0,0,1,0,0|1,0,1]=4 969 B10R1.11 CCOC(=O)[C@H]1CCCN1 Amb24428260 [1,0,0,1,0,0|1,0,1]=4 970 B10R1.11 CCOC(=O)[C@H]1CCCO1 Amb26547140 [1,0,0,1,0,0|1,0,1]=4 971 B10R1.11 CCOC(=O)[C@H]1CCNC1 Amb20670973 [1,0,0,1,0,0|1,0,1]=4 972 B10R1.11 CCOC(=O)[C@H]1CCNC1 Amb22737483 [1,0,0,1,0,0|1,0,1]=4 973 B10R1.11 CNCC(=O)C1CCCC1 Amb28347406 [1,0,0,1,0,0|1,0,1]=4 974 B10R1.11 COCC(=O)C1CCCC1 Amb22058980 [1,0,0,1,0,0|1,0,1]=4 975 B10R1.11 N#CCC(=O)C1CCCC1 Amb33529133 [1,0,0,1,0,0|1,0,1]=4 976 B10R1.11 NCCC(=O)C1CCCC1 Amb18831690 [1,0,0,1,0,0|1,0,1]=4 977 B10R1.11 O=C(CCO)C1CCCC1 Amb25146636 [1,0,0,1,0,0|1,0,1]=4 978 B10R1.11 O=C(OCCl)C1CCCC1 Amb26860777 [1,0,0,1,0,0|1,0,0]=3 979 B10R1.11 O=C(OCCl)N1CCCC1 Amb28196795 [1,0,0,1,0,0|2,0,0]=4 980 B10R1.11 O=C(\C=C\Cl)C1CCCC1 Amb24425523 [1,0,0,1,0,0|1,0,1]=4 981 B10R1.11 O=CCC(=O)C1CCCC1 Amb27248171 [1,0,0,1,0,0|1,0,0]=3 982 B10R1.11 O=CCC(=O)C1CCCO1 Amb25859362 [1,0,0,1,0,0|2,0,0]=4 983 B10R1.11 O=CCC(=O)C1CCOC1 Amb25362797 [1,0,0,1,0,0|2,0,0]=4 984 B10R1.19 C#CC1CCCCCC1=O Amb27458674 [1,0,0,1,0,0|0,0,2]=4 985 B10R1.19 C=CC1CCCCCC1O Amb24748257 [1,0,0,1,0,0|0,0,2]=4 986 B10R1.19 C=CN1CCCCCC1=O Amb3997272 [1,0,0,1,0,0|1,0,0]=3 987 B10R1.19 C=C[C@@H]1CCCCC[C@H]1O Amb32945032 [1,0,0,1,0,0|0,0,2]=4 988 B10R1.19 CCC1CCCCCC1=O Amb25948482 [1,0,0,1,0,0|0,0,2]=4 989 B10R1.19 CC[C@H]1CCCCCC1=O Amb27951448 [1,0,0,1,0,0|0,0,2]=4 990 B10R1.19 COC1CCCCCC1=O Amb26329265 [1,0,0,1,0,0|1,0,1]=4 991 B10R1.19 C\C=C1\CCCCCC1=O Amb24698888 [1,0,0,1,0,0|0,0,2]=4 992 B10R1.19 N#CC1CCCCCC1=O Amb17593482 [1,0,0,1,0,0|1,0,1]=4 993 B10R1.19 NCC1CCCCCC1=O Amb27965542 [1,0,0,1,0,0|1,0,1]=4 994 B10R1.19 O=C1CCCCCC1CO Amb27944951 [1,0,0,1,0,0|1,0,1]=4 995 B10R1.19 O=C1CCCCCN1CCl Amb17949681 [1,0,0,1,0,0|2,0,0]=4 996 B10R1.19 O=C1CCCCCN1CO Amb1038986 [1,0,0,1,0,0|2,0,0]=4 997 B10R1.19 O=CC1CCCCCC1=O Amb33539530 [1,0,0,1,0,0|1,0,0]=3 998 B10R1.19 O=CN1CCCCCC1=O Amb24374197 [1,0,0,1,0,0|2,0,0]=4 999 B10R1.21 CCCCCc1ccco1 Amb8393189 [1,0,0,1,0,0|1,0,0]=3 1000 B10R1.21 CCCCCc1cccs1 Amb2779226 [1,0,0,1,0,0|0,1,1]=4 1001 B10R1.21 CCCCCc1nccs1 Amb25297177 [1,0,0,1,0,0|1,1,0]=4 1002 B10R1.21 CCCNCc1ccco1 Amb1127967 [1,0,0,1,0,0|2,0,0]=4 1003 B10R1.21 CCCNCc1ccco1 Amb19890265 [1,0,0,1,0,0|2,0,0]=4 1004 B10R1.21 CCCSCc1ccco1 Amb24430614 [1,0,0,1,0,0|2,0,0]=4 1005 B10R1.21 CNCCCc1ccco1 Amb534654 [1,0,0,1,0,0|2,0,0]=4 1006 B10R1.21 ClCCCCc1ccco1 Amb17138477 [1,0,0,1,0,0|2,0,0]=4 1007 B10R1.21 NCCCCc1ccco1 Amb5735488 [1,0,0,1,0,0|2,0,0]=4 1008 B10R1.21 OCCCCc1ccco1 Amb17106038 [1,0,0,1,0,0|2,0,0]=4 1009 B10R1.21 SCCCCc1ccco1 Amb18563472 [1,0,0,1,0,0|2,0,0]=4 1010 B10R1.25 CCC1CCC(=O)CC1C Amb25146818 [1,0,0,1,0,0|0,0,2]=4 1011 B10R1.25 CCC1CCC(=O)CC1I Amb32867635 [1,0,0,1,0,0|1,0,1]=4 1012 B10R1.25 CCC1CCC(=O)CC1N Amb32867070 [1,0,0,1,0,0|1,0,1]=4 1013 B10R1.25 CCC1CCC(=O)CC1O Amb32867615 [1,0,0,1,0,0|1,0,1]=4 1014 B10R1.25 CCC1CCC(=O)OC1=O Amb27157859 [1,0,0,1,0,0|1,0,0]=3 1015 B10R1.25 CCC1CNC(=O)CC1=O Amb19957550 [1,0,0,1,0,0|2,0,0]=4 1016 B10R1.25 CCC1SCC(=O)CC1=O Amb33496180 [1,0,0,1,0,0|2,0,0]=4 1017 B10R1.25 CCN1CCC(=O)CC1=O Amb27606677 [1,0,0,1,0,0|2,0,0]=4 1018 B10R1.25 CC[C@@H]1CCC(=O)C[C@H]1C Amb27789898 [1,0,0,1,0,0|0,0,2]=4 1019 B10R1.25 CC[C@H]1CCC(=O)C[C@H]1C Amb27428397 [1,0,0,1,0,0|0,0,2]=4 1020 B10R1.25 CSC1CCC(=O)CC1=O Amb27614907 [1,0,0,1,0,0|2,0,0]=4 1021 B10R1.29 CCCCC1CCCC1=O Amb19301037 [1,0,0,1,0,0|0,0,2]=4 1022 B10R1.29 CCCCC1COCC1=O Amb29885828 [1,0,0,1,0,0|1,0,1]=4 1023 B10R1.29 CCCCN1C=CSC1=O Amb28347394 [1,0,0,1,0,0|1,1,0]=4 1024 B10R1.29 CCCC[C@H]1C=CC[C@@H]1O Amb28206852 [1,0,0,1,0,0|0,0,2]=4 1025 B10R1.29 CSCCC1CCOC1=O Amb27467850 [1,0,0,1,0,0|1,0,1]=4 1026 B10R1.29 NCCCC1C=NOC1=O Amb19515739 [1,0,0,1,0,0|2,0,0]=4 1027 B10R1.29 NCCCC1CCOC1=O Amb32668910 [1,0,0,1,0,0|1,0,1]=4 1028 B10R1.29 NCCCC1CCOC1=O Amb32674869 [1,0,0,1,0,0|1,0,1]=4 1029 B10R1.29 NCCCN1C=CCC1=O Amb27642824 [1,0,0,1,0,0|2,0,0]=4 1030 B10R1.29 O=C1OCCC1CCCO Amb27977861 [1,0,0,1,0,0|1,0,1]=4 1031 B10R1.29 O=C1OCC[C@H]1CCCF Amb27949209 [1,0,0,1,0,0|1,0,1]=4 1032 B10R1.77 C=C1CCCCCC(O)C1 Amb28350370 [1,0,0,1,0,0|0,0,2]=4 1033 B10R1.77 O=C1CCCCCC(=O)C1 Amb22497156 [1,0,0,1,0,0|1,0,0]=3 1034 B10R1.77 O=C1CCCCCC(=O)O1 Amb26512145 [1,0,0,1,0,0|1,0,0]=3 1035 B10R1.78 O=C1C=C=CCCCCC1 Amb28253726 [1,0,0,1,0,0|0,0,2]=4 1036 B10R1.78 O=C1C=CC=CCCCC1 Amb22342438 [1,0,0,1,0,0|0,0,2]=4 1037 B10R1.78 O=C1C=CCCCCCC1 Amb22363956 [1,0,0,1,0,0|0,0,2]=4 1038 B10R1.78 O=C1CCCCCCCC1 Amb16185450 [1,0,0,1,0,0|0,0,2]=4 1039 B10R1.78 O=C1CCCCCCCN1 Amb8513494 [1,0,0,1,0,0|1,0,1]=4 1040 B10R1.79 CC1=CC=CC(=O)CCC1 Amb27815278 [1,0,0,1,0,0|0,0,2]=4 1041 B10R1.85 C=CCC1=CCCCCC1 Amb27405139 [1,0,0,1,0,0|1,0,0]=3 1042 B10R1.96 C=CCN1CCC(CC)C1 Amb27807049 [1,0,0,1,0,0|2,0,0]=4 1043 B10R1.130 CCCC1=C(O)OC(=O)C1 Amb22015243 [1,0,0,1,0,0|1,0,1]=4 1044 B10R1.130 CCCC1CC(=O)NC1C Amb26857237 [1,0,0,1,0,0|1,0,1]=4 1045 B10R1.130 CCCC1CC(=O)OC1=O Amb24460269 [1,0,0,1,0,0|1,0,0]=3 1046 B10R1.130 CCCC1CC(=O)OC1O Amb28126848 [1,0,0,1,0,0|1,0,0]=3 1047 B10R1.130 CCCC1NC(=O)CC1=O Amb18831765 [1,0,0,1,0,0|2,0,0]=4 1048 B10R1.130 CCCC1NC(=O)OC1=O Amb28289807 [1,0,0,1,0,0|2,0,0]=4 1049 B10R1.130 CCCC1NC(=O)OC1C Amb27174798 [1,0,0,1,0,0|1,0,1]=4 1050 B10R1.130 CCC[C@@H]1CC(=O)C[C@H]1C Amb27211928 [1,0,0,1,0,0|0,0,2]=4 1051 B10R1.130 CCC[C@@H]1NC(=O)O[C@H]1C Amb27467926 [1,0,0,1,0,0|1,0,1]=4 1052 B10R1.130 CCC[C@H]1CC(=O)C[C@@H]1C Amb28253334 [1,0,0,1,0,0|0,0,2]=4 1053 B10R1.130 CCC[C@H]1CC(=O)NC1=O Amb27792581 [1,0,0,1,0,0|2,0,0]=4 1054 B10R1.130 CCSC1CC(=O)CC1=O Amb27768854 [1,0,0,1,0,0|2,0,0]=4 1055 B10R1.130 COCC1CC(=O)OC1=O Amb33429415 [1,0,0,1,0,0|2,0,0]=4 1056 B10R1.130 CSCC1CC(=O)OC1=O Amb33269668 [1,0,0,1,0,0|2,0,0]=4 1057 B10R1.130 O=C1CC(CCF)C(=O)O1 Amb33196047 [1,0,0,1,0,0|2,0,0]=4 1058 B10R1.135 C#CCC(=O)[C@@H]1C[C@H]1CC Amb27453738 [1,0,0,1,0,0|0,0,2]=4 1059 B10R1.135 C=CCC(=O)C1CC1CN Amb33132452 [1,0,0,1,0,0|1,0,0]=3 1060 B10R1.135 C=CCC(=O)[C@@H]1C[C@@H]1CN Amb33132474 [1,0,0,1,0,0|1,0,0]=3 1061 B10R1.135 C=CCC(=O)[C@@H]1C[C@H]1CO Amb28253861 [1,0,0,1,0,0|1,0,0]=3 1062 B10R1.135 CCC1CC1C(=O)\C=C\Cl Amb30032301 [1,0,0,1,0,0|1,0,1]=4 1063 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1CC Amb27244202 [1,0,0,1,0,0|0,0,2]=4 1064 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1CC Amb28320524 [1,0,0,1,0,0|1,0,1]=4 1065 B10R1.135 CCOC(=O)C1CC1CBr Amb28315851 [1,0,0,1,0,0|1,0,1]=4 1066 B10R1.135 CCOC(=O)C1CC1CC Amb24358493 [1,0,0,1,0,0|0,0,1]=3 1067 B10R1.135 CCOC(=O)C1CC1CO Amb2698039 [1,0,0,1,0,0|1,0,1]=4 1068 B10R1.135 CCOC(=O)C1CC1OC Amb27976683 [1,0,0,1,0,0|1,0,1]=4 1069 B10R1.135 CCOC(=O)[C@@H]1CC1CO Amb28050782 [1,0,0,1,0,0|1,0,1]=4 1070 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1CCl Amb27818179 [1,0,0,1,0,0|1,0,1]=4 1071 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1CN Amb33748047 [1,0,0,1,0,0|1,0,1]=4 1072 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1CBr Amb28140749 [1,0,0,1,0,0|1,0,1]=4 1073 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1CN Amb24670327 [1,0,0,1,0,0|1,0,1]=4 1074 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1CO Amb27246386 [1,0,0,1,0,0|1,0,1]=4 1075 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CCl Amb27787330 [1,0,0,1,0,0|1,0,1]=4 1076 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO Amb26046389 [1,0,0,1,0,0|1,0,1]=4 1077 B10R1.135 CC[C@@H]1C[C@H]1C(=O)COC Amb28069235 [1,0,0,1,0,0|1,0,1]=4 1078 B10R1.135 CC[C@@H]1C[C@H]1C(=O)\C=C\Cl Amb29884309 [1,0,0,1,0,0|1,0,1]=4 1079 B10R1.136 C=CCN(C)CC1CC1C Amb28070091 [1,0,0,1,0,0|2,0,0]=4 1080 B10R1.136 CC1CC1CC(=O)CCN Amb33132713 [1,0,0,1,0,0|1,0,1]=4 1081 B10R1.136 CC1CC1NC(=O)OCCl Amb35637651 [1,0,0,1,0,0|2,0,0]=4 1082 B10R1.136 CCOC(=O)CN1CC1C Amb24078336 [1,0,0,1,0,0|1,0,1]=4 1083 B10R1.136 CCOC(=O)NC1CC1C Amb27839171 [1,0,0,1,0,0|1,0,1]=4 1084 B10R1.136 CCOC(=O)N[C@@H]1C[C@H]1C Amb27594341 [1,0,0,1,0,0|1,0,1]=4 1085 B10R1.136 CNCC(=O)CC1CC1C Amb33132716 [1,0,0,1,0,0|1,0,1]=4 1086 B10R1.137 C=CCC(=O)CC1CNC1 Amb24392581 [1,0,0,1,0,0|1,0,0]=3 1087 B10R1.137 C=CCC(N)CC1CCC1 Amb27489192 [1,0,0,1,0,0|1,0,1]=4 1088 B10R1.137 CCNC(=O)CC1CCC1 Amb27965928 [1,0,0,1,0,0|1,0,1]=4 1089 B10R1.137 CCOC(=O)CC1CCC1 Amb21963823 [1,0,0,1,0,0|0,0,1]=3 1090 B10R1.137 CCOC(=O)CC1CNC1 Amb24478908 [1,0,0,1,0,0|1,0,1]=4 1091 B10R1.137 CCOC(=O)CC1CNC1 Amb33330175 [1,0,0,1,0,0|1,0,1]=4 1092 B10R1.137 CCOC(=O)CC1CNC1 Amb34157809 [1,0,0,1,0,0|1,0,1]=4 1093 B10R1.137 CCOC(=O)CC1COC1 Amb22002165 [1,0,0,1,0,0|1,0,1]=4 1094 B10R1.137 CCOC(=O)CC1CSC1 Amb27654096 [1,0,0,1,0,0|1,0,1]=4 1095 B10R1.137 CCOC(=O)CN1CCC1 Amb27257788 [1,0,0,1,0,0|1,0,1]=4 1096 B10R1.137 CNCC(=O)CC1CCC1 Amb26509398 [1,0,0,1,0,0|1,0,1]=4 1097 B10R1.137 CSCC(=O)CC1CCC1 Amb27813302 [1,0,0,1,0,0|1,0,1]=4 1098 B10R1.137 C\C=C\C(=O)CC1CCC1 Amb27839608 [1,0,0,1,0,0|0,0,2]=4 1099 B10R1.137 NCCC(=O)CC1CCC1 Amb24376568 [1,0,0,1,0,0|1,0,1]=4 1100 B10R1.137 O=C(NC1CCC1)OCCl Amb35637650 [1,0,0,1,0,0|2,0,0]=4 1101 B10R1.137 O=C(OCCl)OC1CCC1 Amb27660786 [1,0,0,1,0,0|2,0,0]=4 1102 B10R1.137 O=C(\C=C\Cl)CC1CCC1 Amb35628636 [1,0,0,1,0,0|1,0,1]=4 1103 B10R1.138 C=CCC(=O)CNC1CC1 Amb24746405 [1,0,0,1,0,0|1,0,0]=3 1104 B10R1.138 C=CCC(O)CCC1CC1 Amb28078114 [1,0,0,1,0,0|0,0,2]=4 1105 B10R1.138 CCOC(=N)CCC1CC1 Amb27962621 [1,0,0,1,0,0|1,0,1]=4 1106 B10R1.138 CCOC(=O)CCC1CC1 Amb28049520 [1,0,0,1,0,0|0,0,1]=3 1107 B10R1.138 CCOC(=O)CCC1CO1 Amb26033229 [1,0,0,1,0,0|1,0,1]=4 1108 B10R1.138 CCOC(=O)CNC1CC1 Amb6706355 [1,0,0,1,0,0|1,0,1]=4 1109 B10R1.138 CCOC(=O)NCC1CC1 Amb27250634 [1,0,0,1,0,0|1,0,1]=4 1110 B10R1.138 CNCC(=O)CCC1CC1 Amb27398548 [1,0,0,1,0,0|1,0,1]=4 1111 B10R1.138 COCC(=O)CCC1CC1 Amb27431588 [1,0,0,1,0,0|1,0,1]=4 1112 B10R1.138 NCCC(=O)CCC1CC1 Amb28313963 [1,0,0,1,0,0|1,0,1]=4 1113 B10R1.138 O=C(OCCl)OCC1CC1 Amb27617085 [1,0,0,1,0,0|2,0,0]=4 1114 B10R1.139 CCOC(=O)C1CCC1Br Amb28050004 [1,0,0,1,0,0|1,0,1]=4 1115 B10R1.139 CCOC(=O)C1CCC1C Amb27260582 [1,0,0,1,0,0|0,0,1]=3 1116 B10R1.139 CCOC(=O)C1CCC1O Amb25061668 [1,0,0,1,0,0|1,0,1]=4 1117 B10R1.139 CCOC(=O)[C@@H]1CC[C@@H]1N Amb33163984 [1,0,0,1,0,0|1,0,1]=4 1118 B10R1.139 CCOC(=O)[C@@H]1CC[C@@H]1O Amb27261464 [1,0,0,1,0,0|1,0,1]=4 1119 B10R1.139 CCOC(=O)[C@H]1CC[C@H]1O Amb28137779 [1,0,0,1,0,0|1,0,1]=4 1120 B10R1.186 CCCCCC(=O)C1CO1 Amb28049864 [1,0,0,1,0,0|1,0,1]=4 1121 B10R1.197 CCC1CCCC(=O)CC1 Amb26602086 [1,0,0,1,0,0|0,0,2]=4 1122 B10R1.197 CCC1CCNC(=O)CC1 Amb9316851 [1,0,0,1,0,0|1,0,1]=4 1123 B10R1.197 CC[C@H]1CCNC(=O)CC1 Amb27196219 [1,0,0,1,0,0|1,0,1]=4 1124 B10R1.245 C=C[C@@H]1[C@@H](C)CCC[C@H]1O Amb27428229 [1,0,0,1,0,0|0,0,2]=4 1125 B10R1.245 CC[C@@H]1C(=O)CCC[C@H]1C Amb27428400 [1,0,0,1,0,0|0,0,2]=4 1126 B10R1.245 CS[C@H]1C(=O)CCC[C@@H]1C Amb27778470 [1,0,0,1,0,0|1,0,1]=4 1127 B10R1.245 C\C=C1\C(=O)CCCC1C Amb18048431 [1,0,0,1,0,0|0,0,2]=4 1128 B10R1.257 C=CN1C(=O)OCC1CC Amb27424807 [1,0,0,1,0,0|2,0,0]=4 1129 B10R1.257 C=CN1C(=O)OC[C@H]1CC Amb27444035 [1,0,0,1,0,0|2,0,0]=4 1130 B10R1.277 CC1CCCC(=O)CC1=O Amb25966053 [1,0,0,1,0,0|1,0,0]=3 1131 B10R1.277 CN1CCCC(=O)CC1=O Amb28059213 [1,0,0,1,0,0|2,0,0]=4 1132 B10R1.277 CN1CCCC(=O)CC1=S Amb24736355 [1,0,0,1,0,0|2,0,0]=4 1133 B10R1.377 C=CCC1(N)CCCCC1 Amb24351599 [1,0,0,1,0,0|1,0,1]=4 1134 B10R1.377 C=CCC1(O)CCCCC1 Amb4034571 [1,0,0,1,0,0|0,0,2]=4 1135 B10R1.406 CCCCC1=C(N)CC1=O Amb28040918 [1,0,0,1,0,0|1,0,1]=4 1136 B10R1.406 CCCCC1C(=O)CC1C Amb27802538 [1,0,0,1,0,0|0,0,2]=4 1137 B10R1.406 CCCCC1C(=O)NC1C Amb27816027 [1,0,0,1,0,0|1,0,1]=4 1138 B10R1.406 CCCC[C@@H]1C(=O)C[C@@H]1C Amb28142264 [1,0,0,1,0,0|0,0,2]=4 1139 B10R1.527 C=CCC1(N)CCCC1C Amb35657736 [1,0,0,1,0,0|1,0,1]=4 1140 B10R1.527 C=CCC1(O)CCCC1C Amb25112084 [1,0,0,1,0,0|0,0,2]=4 1141 B10R1.4 C=CCC1=CCCCC1=O Amb28126624 [1,0,0,1,0,0|1,0,1]=4 1142 B10R1.4 C=CCC1CCCCC1=O Amb2720504 [1,0,0,1,0,0|1,0,0]=3 1143 B10R1.4 C=CCC1CCCOC1=O Amb28429739 [1,0,0,1,0,0|2,0,0]=4 1144 B10R1.4 C=CCC1COCCC1=O Amb28253845 [1,0,0,1,0,0|2,0,0]=4 1145 B10R1.4 C=CCN1CCCCC1=O Amb22522115 [1,0,0,1,0,0|1,0,0]=3 1146 B10R1.4 C=CCN1CCCNC1=O Amb28068426 [1,0,0,1,0,0|2,0,0]=4 1147 B10R1.4 C=COC1CCCCC1=O Amb25719510 [1,0,0,1,0,0|2,0,0]=4 1148 B10R1.4 C=C\C=C1/CCCCC1=O Amb27464325 [1,0,0,1,0,0|1,0,1]=4 1149 B10R1.4 C=C\C=C1\CCCCC1=O Amb27203837 [1,0,0,1,0,0|1,0,1]=4 1150 B10R1.4 CCCC1CCCOC1=O Amb25068420 [1,0,0,1,0,0|0,0,2]=4 1151 B10R1.4 O=CCC1CCCCC1=O Amb17593548 [1,0,0,1,0,0|2,0,0]=4 1152 B10R1.17 C=CCCC1=CCCCC1 Amb35715627 [1,0,0,1,0,0|2,0,0]=4 1153 B10R1.17 C=CCNC1=CCCCC1 Amb28050070 [1,0,0,1,0,0|2,0,0]=4 1154 B10R1.17 C=CCNC1=NCCCC1 Amb27250099 [1,0,0,1,0,0|2,0,0]=4 1155 B10R1.17 C=CCOC1CCCCO1 Amb2703722 [1,0,0,1,0,0|0,0,2]=4 1156 B10R1.30 C=CC1OC(=O)CCC1=C Amb8389943 [1,0,0,1,0,0|0,0,2]=4 1157 B10R1.32 C=CC1NC(=O)NC1CC Amb28240464 [1,0,0,1,0,0|2,0,0]=4 1158 B10R1.32 C=CC1OC(=O)NC1CC Amb27793271 [1,0,0,1,0,0|1,0,0]=3 1159 B10R1.32 C=CC1OC(=O)NC1CO Amb27461443 [1,0,0,1,0,0|2,0,0]=4 1160 B10R1.32 C=C[C@@H]1OC(=O)N[C@@H]1CCl Amb27221073 [1,0,0,1,0,0|2,0,0]=4 1161 B10R1.32 C=C[C@H]1NC(=O)O[C@H]1CC Amb27216322 [1,0,0,1,0,0|2,0,0]=4 1162 B10R1.32 CC[C@@H]1CC(=O)O[C@@H]1CO Amb28294265 [1,0,0,1,0,0|1,0,1]=4 1163 B10R1.32 CO[C@@H]1CC(=O)O[C@@H]1C=O Amb27849049 [1,0,0,1,0,0|2,0,0]=4 1164 B10R1.71 C=C1CCCCC(=O)CC1 Amb27255772 [1,0,0,1,0,0|1,0,0]=3 1165 B10R1.71 O=C1CCCCC(=O)CC1 Amb4035103 [1,0,0,1,0,0|2,0,0]=4 1166 B10R1.162 C=CC1CCCCC(=O)N1 Amb27783267 [1,0,0,1,0,0|1,0,0]=3 1167 B10R1.162 O=C1CCCCC(CBr)O1 Amb28342313 [1,0,0,1,0,0|1,0,1]=4 1168 B10R1.162 O=C1CCCCC(CO)O1 Amb27663769 [1,0,0,1,0,0|1,0,1]=4 1169 B10R1.178 C=CCCC(=O)C1CNC1 Amb25291743 [1,0,0,1,0,0|2,0,0]=4 1170 B10R1.178 C=CCNC(=O)C1CCC1 Amb27881157 [1,0,0,1,0,0|1,0,0]=3 1171 B10R1.178 C=CCNC(=O)C1CNC1 Amb28143343 [1,0,0,1,0,0|2,0,0]=4 1172 B10R1.178 C=CCNC(=O)C1COC1 Amb28207957 [1,0,0,1,0,0|2,0,0]=4 1173 B10R1.178 C=CCOC(=O)C1CCC1 Amb28126909 [1,0,0,1,0,0|0,0,0]=2 1174 B10R1.178 O=C(OCCBr)C1CCC1 Amb33276527 [1,0,0,1,0,0|1,0,1]=4 1175 B10R1.178 O=C(OCCF)C1CCC1 Amb26514818 [1,0,0,1,0,0|1,0,1]=4 1176 B10R1.180 C=CCCC(=O)NC1CC1 Amb27853681 [1,0,0,1,0,0|2,0,0]=4 1177 B10R1.180 C=CCNC(=O)NC1CC1 Amb22396318 [1,0,0,1,0,0|2,0,0]=4 1178 B10R1.180 C=CCOC(=O)NC1CC1 Amb28206227 [1,0,0,1,0,0|1,0,0]=3 1179 B10R1.180 COCOC(=O)CC1CC1 Amb27487232 [1,0,0,1,0,0|1,0,1]=4 1180 B10R1.180 O=C(CC1CC1)OCCF Amb28049774 [1,0,0,1,0,0|1,0,1]=4 1181 B10R1.180 O=C(CC1CC1)OCCO Amb27588764 [1,0,0,1,0,0|1,0,1]=4 1182 B10R1.187 C=CCC1C(=O)CCC1C Amb27802460 [1,0,0,1,0,0|1,0,0]=3 1183 B10R1.187 C=CCC1C(=O)COC1C Amb35711454 [1,0,0,1,0,0|2,0,0]=4 1184 B10R1.187 C=CCN1C(=O)CNC1C Amb24480878 [1,0,0,1,0,0|2,0,0]=4 1185 B10R1.187 CC1CCC(=O)N1CC=O Amb27431135 [1,0,0,1,0,0|2,0,0]=4 1186 B10R1.293 C=CCCC(=O)C1CC1C Amb28141090 [1,0,0,1,0,0|1,0,0]=3 1187 B10R1.293 C=CCNC(=O)[C@@H]1C[C@H]1C Amb27600662 [1,0,0,1,0,0|1,0,0]=3 1188 B10R1.293 C=CCOC(=O)[C@H]1C[C@@H]1C Amb27945279 [1,0,0,1,0,0|0,0,0]=2 1189 B10R1.293 CC1CC1C(=O)OCCBr Amb33276578 [1,0,0,1,0,0|1,0,1]=4 1190 B10R1.293 CCCOC(=O)C1CC1C Amb9242963 [1,0,0,1,0,0|0,0,2]=4 1191 B10R1.293 CCCOC(=O)[C@@H]1C[C@H]1C Amb27854871 [1,0,0,1,0,0|0,0,2]=4 1192 B10R1.293 C[C@@H]1C[C@H]1C(=O)OCC#N Amb28320168 [1,0,0,1,0,0|1,0,1]=4 1193 B10R1.293 C[C@H]1C[C@@H]1C(=O)OCCO Amb27802383 [1,0,0,1,0,0|1,0,1]=4 1194 B10R1.316 C=CCN1C(=O)CC1CO Amb28126877 [1,0,0,1,0,0|2,0,0]=4 1195 B10R1.316 C=CCN1C(=O)C[C@@H]1CO Amb27617046 [1,0,0,1,0,0|2,0,0]=4 1196 B10R1.316 CCCC1C(=O)OC1C=O Amb27954085 [1,0,0,1,0,0|1,0,0]=3 1197 B10R1.316 CCCC1C(=O)OC1CO Amb27413997 [1,0,0,1,0,0|1,0,1]=4 1198 B10R1.316 CCC[C@H]1C(=O)O[C@H]1CO Amb27863867 [1,0,0,1,0,0|1,0,1]=4 1199 B10R1.12 C=CCCN1CCC1CC Amb27466590 [1,0,0,1,0,0|2,0,0]=4 1200 B10R1.12 C=CCNC1CCC1CC Amb28453450 [1,0,0,1,0,0|1,0,1]=4 1201 B10R1.20 C=CC1CCCCC1CC Amb27662673 [1,0,0,1,0,0|1,0,1]=4 1202 B10R1.20 C=CC1NCCCC1CC Amb27838057 [1,0,0,1,0,0|1,0,1]=4 1203 B10R1.20 C=C[C@@H]1NCCC[C@H]1CC Amb27252158 [1,0,0,1,0,0|1,0,1]=4 1204 B10R1.57 C=CCCNCC1CCC1 Amb27426711 [1,0,0,1,0,0|2,0,0]=4 1205 B10R1.57 C=CCNCCC1CCC1 Amb27450427 [1,0,0,1,0,0|1,0,1]=4 1206 B10R1.57 C=CCOCCC1CCN1 Amb27782161 [1,0,0,1,0,0|1,0,1]=4 1207 B10R1.57 C=CCONCC1CCC1 Amb28127465 [1,0,0,1,0,0|1,0,0]=3 1208 B10R1.161 OCC1C=CCC=CCC1 Amb27801551 [1,0,0,1,0,0|2,0,0]=4 1209 B10R1.177 C=CCOCCNC1CC1 Amb27751113 [1,0,0,1,0,0|1,0,1]=4 1210 B10R1.177 C=CCONCCC1CC1 Amb27802991 [1,0,0,1,0,0|1,0,0]=3 1211 B12R1.53 C=CCNC(=O)N[C@@H]1CCNC1 Amb28322606 [0,1,0,1,0,0|2,0,0]=4 1212 B12R1.53 C=CCNC(=O)N[C@H]1CCNC1 Amb27250196 [0,1,0,1,0,0|2,0,0]=4 1213 B12R1.170 C=CCC1CCCCCC(=O)C1 Amb28253648 [0,1,0,1,0,0|1,0,0]=3 1214 B12R1.321 C=CCCC1=CC(N)CCCC1 Amb27790268 [0,1,0,1,0,0|2,0,0]=4 1215 B12R1.460 C#CCOC(=O)C1CCCC1C Amb27457224 [0,1,0,1,0,0|0,0,2]=4 1216 B12R1.460 C#CCOC(=O)C1CCCC1O Amb28283423 [0,1,0,1,0,0|0,0,2]=4 1217 B12R1.460 C=CCNC(=O)C1CCNC1C Amb27228481 [0,1,0,1,0,0|1,0,0]=3 1218 B12R1.460 C=CCNC(=O)[C@@H]1CNC[C@H]1C Amb27843079 [0,1,0,1,0,0|1,0,0]=3 1219 B12R1.460 C=CCNC(=O)[C@H]1CCC[C@@H]1O Amb27207818 [0,1,0,1,0,0|1,0,0]=3 1220 B12R1.460 C=CCNC(=O)[C@H]1CCC[C@H]1N Amb35661197 [0,1,0,1,0,0|1,0,0]=3 1221 B12R1.460 C=CCNC(=O)[C@H]1OCC[C@H]1C Amb27945141 [0,1,0,1,0,0|1,0,0]=3 1222 B12R1.460 C=CCNC(=S)N1CCCC1C Amb27650093 [0,1,0,1,0,0|1,1,0]=4 1223 B12R1.462 C=CCNC(=O)NC1CC(C)C1 Amb27587714 [0,1,0,1,0,0|2,0,0]=4 1224 B12R1.1095 C=CC[C@@H]1C(=O)CC(=O)C[C@H]1C Amb28201160 [0,1,0,1,0,0|1,0,1]=4 1225 B12R1.1114 C=CCC1=C(CC)C(O)CC1=O Amb27211982 [0,1,0,1,0,0|1,0,1]=4 1226 B12R1.1141 C=CCN1CCNC(C)CC1=O Amb25801056 [0,1,0,1,0,0|2,0,0]=4 1227 B12R1.2031 C=CCNC(=O)N1C(C)CC1C Amb28064985 [0,1,0,1,0,0|2,0,0]=4 1228 B12R1.2044 C=CCNC(=O)NC1(C)CCC1 Amb27456045 [0,1,0,1,0,0|2,0,0]=4 1229 B12R1.18 C=CCNC1CCCCNC1=O Amb6706535 [0,1,0,1,0,0|2,0,0]=4 1230 B12R1.18 C=CCOC1CCCCCC1O Amb27206059 [0,1,0,1,0,0|0,0,2]=4 1231 B12R1.18 C=CCO[C@@H]1CCCCC[C@@H]1O Amb27653264 [0,1,0,1,0,0|0,0,2]=4 1232 B12R1.18 C=CCSC1CCCCNC1=O Amb27588788 [0,1,0,1,0,0|1,1,0]=4 1233 B12R1.18 CCCCC1C=CC=CCC1=O Amb27177858 [0,1,0,1,0,0|1,0,1]=4 1234 B12R1.18 C\C=C\CC1CCCCNC1=O Amb27615324 [0,1,0,1,0,0|2,0,0]=4 1235 B12R1.18 O=C1CCCCCC1C\C=C\Cl Amb28118877 [0,1,0,1,0,0|1,0,0]=3 1236 B12R1.18 O=CCCC1CCCCCC1=O Amb28123079 [0,1,0,1,0,0|1,0,1]=4 1237 B12R1.29 C#CCOC(=O)C1CCC(C)O1 Amb28070314 [0,1,0,1,0,0|0,0,2]=4 1238 B12R1.29 C#CCOC(=O)C1CCC(F)C1 Amb27756131 [0,1,0,1,0,0|0,0,2]=4 1239 B12R1.29 C=CCNC(=O)C1CCC(N)C1 Amb27970341 [0,1,0,1,0,0|1,0,0]=3 1240 B12R1.29 C=CCNC(=O)C1CCC(O)C1 Amb27467091 [0,1,0,1,0,0|1,0,0]=3 1241 B12R1.29 C=CCNC(=O)C1CCN(C)C1 Amb27766298 [0,1,0,1,0,0|2,0,0]=4 1242 B12R1.29 C=CCNC(=O)N1CC[C@@H](N)C1 Amb27437318 [0,1,0,1,0,0|2,0,0]=4 1243 B12R1.29 C=CCNC(=O)[C@@H]1CC[C@H](C)O1 Amb27400977 [0,1,0,1,0,0|1,0,0]=3 1244 B12R1.29 CC1CCC(C(=O)OCC#N)C1 Amb27604995 [0,1,0,1,0,0|1,0,1]=4 1245 B12R1.29 C[C@H]1CC[C@@H](C(=O)OCC#N)O1 Amb27268406 [0,1,0,1,0,0|1,0,1]=4 1246 B12R1.29 N#CCOC(=O)[C@@H]1CC[C@@H](O)C1 Amb27205882 [0,1,0,1,0,0|1,0,1]=4 1247 B12R1.30 C#CCOC(=O)C1CCCCC1 Amb27447006 [0,1,0,1,0,0|0,0,2]=4 1248 B12R1.30 C#CCOC(=O)C1CCCOC1 Amb27980008 [0,1,0,1,0,0|0,0,2]=4 1249 B12R1.30 C#CCOC(=O)N1CCCCC1 Amb28199475 [0,1,0,1,0,0|0,0,2]=4 1250 B12R1.30 C=CCNC(=O)C1=CCCCC1 Amb28349996 [0,1,0,1,0,0|1,0,1]=4 1251 B12R1.30 C=CCNC(=O)C1CCCNC1 Amb6272541 [0,1,0,1,0,0|1,0,0]=3 1252 B12R1.30 C=CCNC(=O)C1CCNCC1 Amb1111141 [0,1,0,1,0,0|1,0,0]=3 1253 B12R1.30 C=CCNC(=O)C1CCNCC1 Amb21958707 [0,1,0,1,0,0|1,0,0]=3 1254 B12R1.30 C=CCNC(=O)C1CCOCC1 Amb25046449 [0,1,0,1,0,0|1,0,0]=3 1255 B12R1.30 C=CCNC(=O)C1CNCCS1 Amb35662045 [0,1,0,1,0,0|2,0,0]=4 1256 B12R1.30 C=CCNC(=O)C1OCCCO1 Amb27387834 [0,1,0,1,0,0|2,0,0]=4 1257 B12R1.30 C=CCNC(=O)N1CCNCC1 Amb17232717 [0,1,0,1,0,0|2,0,0]=4 1258 B12R1.30 C=CCNC(=O)N1CCOCC1 Amb26348408 [0,1,0,1,0,0|2,0,0]=4 1259 B12R1.30 C=CCNC(=O)[C@@H]1CCCNC1 Amb27871125 [0,1,0,1,0,0|1,0,0]=3 1260 B12R1.30 C=CCNC(=O)[C@H]1CCCCN1 Amb28350239 [0,1,0,1,0,0|1,0,0]=3 1261 B12R1.30 C=CCNC(=O)[C@H]1CCCNC1 Amb27390800 [0,1,0,1,0,0|1,0,0]=3 1262 B12R1.30 C=CCNC(=O)[C@H]1COCCN1 Amb27771116 [0,1,0,1,0,0|2,0,0]=4 1263 B12R1.30 C=CCNC(=S)N1CCCCC1 Amb4346631 [0,1,0,1,0,0|1,1,0]=4 1264 B12R1.30 C=CCOC(=O)C1CCNCC1 Amb32439042 [0,1,0,1,0,0|0,0,0]=2 1265 B12R1.30 C=CCOC(=O)N1CCNCC1 Amb22754004 [0,1,0,1,0,0|1,0,0]=3 1266 B12R1.30 C=CCOC(=O)N1CCNCC1 Amb33876540 [0,1,0,1,0,0|1,0,0]=3 1267 B12R1.30 C=CC\C=C(\C)C1CCCCN1 Amb27614183 [0,1,0,1,0,0|2,0,0]=4 1268 B12R1.30 C=CC\C=C(\C)C1CCCNC1 Amb35736997 [0,1,0,1,0,0|2,0,0]=4 1269 B12R1.30 CCCOC(=O)C1CCCCN1 Amb8874751 [0,1,0,1,0,0|0,0,2]=4 1270 B12R1.30 N#CCOC(=O)C1CCSCC1 Amb28241838 [0,1,0,1,0,0|1,0,1]=4 1271 B12R1.30 NCCOC(=O)C1CCNCC1 Amb24079000 [0,1,0,1,0,0|1,0,1]=4 1272 B12R1.30 O=CCNC(=O)C1CCCCC1 Amb17102060 [0,1,0,1,0,0|2,0,0]=4 1273 B12R1.150 CC1CC=CCCCCNC1=O Amb25936084 [0,1,0,1,0,0|2,0,0]=4 1274 B12R1.150 C[C@@H]1CC=CCCCCNC1=O Amb28243785 [0,1,0,1,0,0|2,0,0]=4 1275 B12R1.150 C[C@H]1CC=CCCCCNC1=O Amb28367817 [0,1,0,1,0,0|2,0,0]=4 1276 B12R1.374 C=CCOC1CC(C)CCC1N Amb35710303 [0,1,0,1,0,0|1,0,1]=4 1277 B12R1.374 C=CCOC1CC(C)CCC1O Amb35695422 [0,1,0,1,0,0|1,0,1]=4 1278 B12R1.374 CCCCC1NC(=O)OCC1=O Amb28073009 [0,1,0,1,0,0|1,0,0]=3 1279 B12R1.374 CCCCN1CC(=O)CCC1=O Amb25997716 [0,1,0,1,0,0|2,0,0]=4 1280 B12R1.374 CCCCN1CC(=O)NCC1=O Amb25821705 [0,1,0,1,0,0|2,0,0]=4 1281 B12R1.1442 C=CCN1CCCCC(N)C1=O Amb28397372 [0,1,0,1,0,0|1,0,0]=3 1282 B12R1.1442 C=CCN1CCCNC(C)C1=O Amb27448742 [0,1,0,1,0,0|2,0,0]=4 1283 B12R1.1442 C=CCN1CCNCC(C)C1=O Amb26621670 [0,1,0,1,0,0|2,0,0]=4 1284 B12R1.2022 C#CCOC(=O)C1(F)CCCC1 Amb28281424 [0,1,0,1,0,0|0,0,2]=4 1285 B12R1.2022 C=CCCC(=O)C1(C)CCCO1 Amb32679314 [0,1,0,1,0,0|2,0,0]=4 1286 B12R1.2022 C=CCNC(=O)C1(Br)CCCC1 Amb27867997 [0,1,0,1,0,0|1,0,0]=3 1287 B12R1.2022 C=CCNC(=O)C1(C)CCNC1 Amb28043417 [0,1,0,1,0,0|2,0,0]=4 1288 B12R1.2022 C=CCNC(=O)C1(F)CCNC1 Amb28285704 [0,1,0,1,0,0|2,0,0]=4 1289 B12R1.2022 C=CCNC(=O)C1(F)CCOC1 Amb28256508 [0,1,0,1,0,0|2,0,0]=4 1290 B12R1.2022 CC1(C(=O)OCC#N)CCCC1 Amb27197026 [0,1,0,1,0,0|1,0,1]=4 1291 B12R1.2022 N#CCOC(=O)C1(O)CCCC1 Amb28125354 [0,1,0,1,0,0|1,0,1]=4 1292 B12R1.3575 CCCCC1(C)C(=O)CCC1=O Amb27176195 [0,1,0,1,0,0|2,0,0]=4 1293 B12R1.46 CCC1CCC(=O)CC1C(=O)O Amb28068765 [0,1,0,1,0,0|2,0,0]=4 1294 B12R1.46 CCC1CCC(=O)CC1C(N)=O Amb32865508 [0,1,0,1,0,0|2,0,0]=4 1295 B12R1.54 C=C(Br)CNC(=O)C1CCNC1 Amb27633764 [0,1,0,1,0,0|2,0,0]=4 1296 B12R1.54 C=C(Br)CNC(=O)C1CCOC1 Amb14262899 [0,1,0,1,0,0|2,0,0]=4 1297 B12R1.54 C=C(Br)CNC(=O)[C@@H]1CCNC1 Amb30010055 [0,1,0,1,0,0|2,0,0]=4 1298 B12R1.54 C=C(Br)CNC(=O)[C@H]1CCCN1 Amb27597730 [0,1,0,1,0,0|2,0,0]=4 1299 B12R1.54 C=C(Br)CNC(=O)[C@H]1CCNC1 Amb30010056 [0,1,0,1,0,0|2,0,0]=4 1300 B12R1.54 C=C(C)CNC(=O)C1CCCC1 Amb27472171 [0,1,0,1,0,0|1,0,0]=3 1301 B12R1.54 C=C(C)CNC(=O)C1CCCN1 Amb28076026 [0,1,0,1,0,0|2,0,0]=4 1302 B12R1.54 C=C(C)CNC(=O)C1CCCO1 Amb27875859 [0,1,0,1,0,0|2,0,0]=4 1303 B12R1.54 C=C(C)CNC(=O)C1CCCS1 Amb27840719 [0,1,0,1,0,0|2,0,0]=4 1304 B12R1.54 C=C(C)CNC(=O)C1CCOC1 Amb27615395 [0,1,0,1,0,0|2,0,0]=4 1305 B12R1.54 C=C(C)CNC(=O)C1CCSC1 Amb28143377 [0,1,0,1,0,0|2,0,0]=4 1306 B12R1.54 C=C(C)CNC(=O)[C@@H]1CCCN1 Amb28059519 [0,1,0,1,0,0|2,0,0]=4 1307 B12R1.54 C=C(C)CNC(=O)[C@@H]1CCNC1 Amb35675159 [0,1,0,1,0,0|2,0,0]=4 1308 B12R1.54 C=C(C)CNC(=O)[C@H]1CCCN1 Amb27446462 [0,1,0,1,0,0|2,0,0]=4 1309 B12R1.54 C=C(C)CNC(=O)[C@H]1CCNC1 Amb35593678 [0,1,0,1,0,0|2,0,0]=4 1310 B12R1.54 C=C(Cl)CNC(=O)C1CCCN1 Amb28255081 [0,1,0,1,0,0|2,0,0]=4 1311 B12R1.54 C=C(Cl)CNC(=O)C1CCCO1 Amb27812661 [0,1,0,1,0,0|2,0,0]=4 1312 B12R1.54 C=C(Cl)CNC(=O)C1CCSC1 Amb27847396 [0,1,0,1,0,0|2,0,0]=4 1313 B12R1.54 C=C(Cl)CNC(=O)[C@@H]1CCNC1 Amb35720605 [0,1,0,1,0,0|2,0,0]=4 1314 B12R1.54 C=C(Cl)CNC(=O)[C@H]1CCCN1 Amb27807190 [0,1,0,1,0,0|2,0,0]=4 1315 B12R1.54 C=C(Cl)CNC(=O)[C@H]1CCNC1 Amb28127368 [0,1,0,1,0,0|2,0,0]=4 1316 B12R1.54 C=C(Cl)CNC(=O)[C@H]1CCNC1 Amb35720604 [0,1,0,1,0,0|2,0,0]=4 1317 B12R1.54 CC(=O)CCC(=O)C1CCCC1 Amb18799103 [0,1,0,1,0,0|1,0,1]=4 1318 B12R1.54 CC(Br)COC(=O)C1CCCC1 Amb33276547 [0,1,0,1,0,0|0,0,2]=4 1319 B12R1.54 O=C(O)CCC(=O)C1CCCC1 Amb2699517 [0,1,0,1,0,0|2,0,0]=4 1320 B12R1.54 O=C(O)CNC(=O)C1CCCC1 Amb1116958 [0,1,0,1,0,0|2,0,0]=4 1321 B12R1.147 C=C(Cl)CNC(=O)NC1CC1C Amb28185693 [0,1,0,1,0,0|2,0,0]=4 1322 B12R1.147 C=C(Cl)CNC(=O)N[C@@H]1C[C@H]1C Amb27453719 [0,1,0,1,0,0|2,0,0]=4 1323 B12R1.210 C=C(C)CC1CCCCCC1=O Amb18798683 [0,1,0,1,0,0|1,0,0]=3 1324 B12R1.210 C=C(C)CC1CCCCNC1=O Amb27808138 [0,1,0,1,0,0|2,0,0]=4 1325 B12R1.210 NC(=O)CN1CCCCCC1=O Amb541239 [0,1,0,1,0,0|2,0,0]=4 1326 B12R1.210 NC(=S)CN1CCCCCC1=O Amb583467 [0,1,0,1,0,0|2,0,0]=4 1327 B12R1.210 O=C(O)CC1CCCCCC1=O Amb18825694 [0,1,0,1,0,0|2,0,0]=4 1328 B12R1.210 O=C(O)CN1CCCCCC1=O Amb415920 [0,1,0,1,0,0|2,0,0]=4 1329 B12R1.226 CC(=O)COC1=CC(C)CCC1 Amb28126667 [0,1,0,1,0,0|1,0,1]=4 1330 B12R1.276 CCC[C@@H]1CC(=O)N[C@H]1C(=O)O Amb28384100 [0,1,0,1,0,0|2,0,0]=4 1331 B12R1.276 CCC[C@@H]1CC(=O)OC1C(=O)O Amb27233499 [0,1,0,1,0,0|1,0,0]=3 1332 B12R1.551 C=C(Br)CNC(=O)NC1CCC1 Amb27840595 [0,1,0,1,0,0|2,0,0]=4 1333 B12R1.552 CC(Br)COC(=O)CCC1CC1 Amb33051923 [0,1,0,1,0,0|0,0,2]=4 1334 B12R1.1011 CC(=O)C1CCCCCC(=O)C1 Amb27211944 [0,1,0,1,0,0|1,0,1]=4 1335 B12R1.1011 NC(=O)C1CCCCCC(=O)C1 Amb27207261 [0,1,0,1,0,0|2,0,0]=4 1336 B12R1.1011 O=C1CCCCCC(C(=O)O)C1 Amb25187509 [0,1,0,1,0,0|2,0,0]=4 1337 B12R1.1343 C=C(Br)COC1CCCCCC1 Amb28206874 [0,1,0,1,0,0|1,0,1]=4 1338 B12R1.270 C=CCN1CC(NC)CCC1=O Amb25283220 [0,1,0,1,0,0|2,0,0]=4 1339 B12R1.463 C=CCNC(=O)COC1CNC1 Amb32941475 [0,1,0,1,0,0|2,0,0]=4 1340 B12R1.925 C=CCOC(=O)N[C@@H]1CC[C@H]1N Amb30869724 [0,1,0,1,0,0|1,0,0]=3 1341 B12R1.925 C=CCOC(=O)N[C@H]1CC[C@@H]1N Amb32643950 [0,1,0,1,0,0|1,0,0]=3 1342 B12R1.925 C=CCOC(=O)N[C@H]1CC[C@H]1N Amb34913982 [0,1,0,1,0,0|1,0,0]=3 1343 B12R1.925 C=CC\N=C(/N)NC1CCC1C Amb26962801 [0,1,0,1,0,0|2,0,0]=4 1344 B12R1.1452 C=CCC1CCC(=O)CCC1=O Amb27175960 [0,1,0,1,0,0|1,0,1]=4 1345 B12R1.1452 C=CCN1CCC(C)NCC1=O Amb27812305 [0,1,0,1,0,0|2,0,0]=4 1346 B12R1.1926 C=CC1OC(=O)NC1C(O)OC Amb27832554 [0,1,0,1,0,0|2,0,0]=4 1347 B12R1.1926 C=C[C@@H]1CC(=O)O[C@H]1[C@H](O)CC Amb27775897 [0,1,0,1,0,0|2,0,0]=4 1348 B12R1.1926 C=C[C@@H]1OC(=O)N[C@H]1C(O)OC Amb27841199 [0,1,0,1,0,0|2,0,0]=4 1349 B12R1.1926 CCC(C)[C@H]1CC(=O)O[C@@H]1CO Amb27456669 [0,1,0,1,0,0|1,0,1]=4 1350 B12R1.2217 CCC(N)CN1C(=O)COC1=O Amb22642711 [0,1,0,1,0,0|2,0,0]=4 1351 B12R1.2217 CCC(N)CN1C(=O)COC1=O Amb32662307 [0,1,0,1,0,0|2,0,0]=4 1352 B12R1.52 O=CCC1CCCCCCC1=O Amb27830090 [0,1,0,1,0,0|2,0,0]=4 1353 B12R1.329 C=CCCC1=CCCCCCC1 Amb30012337 [0,1,0,1,0,0|2,0,0]=4 1354 B12R1.567 CCCCCC1=C(C)CCC1=O Amb4494843 [0,1,0,1,0,0|1,0,1]=4 1355 B12R1.567 CCCCCC1C(=O)CCC1=O Amb17594210 [0,1,0,1,0,0|2,0,0]=4 1356 B12R1.567 CCNCCN1C(=O)COC1=O Amb22642625 [0,1,0,1,0,0|2,0,0]=4 1357 B12R1.567 CCNCCN1C(=O)COC1=O Amb32662353 [0,1,0,1,0,0|2,0,0]=4 1358 B12R1.567 NCCCCN1C(=O)COC1=O Amb22642752 [0,1,0,1,0,0|2,0,0]=4 1359 B12R1.567 NCCCCN1C(=O)COC1=O Amb32662432 [0,1,0,1,0,0|2,0,0]=4 1360 B12R1.1007 O=C1CCCCC(O)CCCO1 Amb27443581 [0,1,0,1,0,0|0,0,2]=4 1361 B12R1.1112 C=CCC1C(=O)CCCC1CC Amb27227076 [0,1,0,1,0,0|1,0,0]=3 1362 B12R1.1112 C=CCN1C(=O)CCCC1CN Amb24497432 [0,1,0,1,0,0|1,0,0]=3 1363 B12R1.1120 C=CCC1C(=O)CCCCN1C Amb27177196 [0,1,0,1,0,0|1,0,0]=3 1364 B12R1.1120 C=CCN1C(=O)CCNCC1C Amb26861556 [0,1,0,1,0,0|1,0,0]=3 1365 B12R1.1120 C=CCN1C(=O)CNCCC1C Amb26000050 [0,1,0,1,0,0|1,0,0]=3 1366 B12R1.1439 C=CCC1C(=O)CCC1CC#N Amb27178024 [0,1,0,1,0,0|1,0,1]=4 1367 B12R1.28 C=CCN\N=C1\CCCC(C)C1 Amb27753460 [0,1,0,1,0,0|2,0,0]=4 1368 B12R1.35 CCCCCC(=O)c1cccs1 Amb8850833 [0,1,0,1,0,0|0,1,1]=4 1369 B12R1.35 CCCCCC(=O)c1ncco1 Amb6301568 [0,1,0,1,0,0|1,0,1]=4 1370 B12R1.35 CCCCOC(=O)C1CCCC1 Amb31217536 [0,1,0,1,0,0|0,0,2]=4 1371 B12R1.35 C\C=C\CNC(=O)C1CCCN1 Amb27431747 [0,1,0,1,0,0|2,0,0]=4 1372 B12R1.35 C\C=C\CNC(=O)C1CCNC1 Amb27431746 [0,1,0,1,0,0|2,0,0]=4 1373 B12R1.35 C\C=C\CNC(=O)N1CCCC1 Amb27432865 [0,1,0,1,0,0|2,0,0]=4 1374 B12R1.35 C\C=C\CNC(=O)[C@@H]1CCNC1 Amb35743140 [0,1,0,1,0,0|2,0,0]=4 1375 B12R1.35 C\C=C\CNC(=O)[C@H]1CCNC1 Amb30010034 [0,1,0,1,0,0|2,0,0]=4 1376 B12R1.154 O=C1CCCC(O)CCCCO1 Amb27853898 [0,1,0,1,0,0|0,0,2]=4 1377 B12R1.154 O=C1CCOC(=O)CCCCN1 Amb28186602 [0,1,0,1,0,0|1,0,1]=4 1378 B12R1.268 C=CC1COC(=O)CC1CC=O Amb27177941 [0,1,0,1,0,0|1,0,1]=4 1379 B12R1.268 C=CC1COC(=O)CC1CCO Amb28127790 [0,1,0,1,0,0|1,0,0]=3 1380 B12R1.268 C=CCC1CC(=O)CCC1CC Amb32865454 [0,1,0,1,0,0|1,0,0]=3 1381 B12R1.268 C=C[C@H]1COC(=O)C[C@H]1CC=O Amb27262912 [0,1,0,1,0,0|1,0,1]=4 1382 B12R1.803 C\C=C\CN1C(=O)CCC1CO Amb28048361 [0,1,0,1,0,0|2,0,0]=4 1383 B12R1.1098 C=CCN1CC(C)CNCC1=O Amb25160032 [0,1,0,1,0,0|2,0,0]=4 1384 B12R1.1098 C=CCN1CC(C)NCCC1=O Amb24644035 [0,1,0,1,0,0|2,0,0]=4 1385 B12R1.1098 C=CC[C@@H]1CC(=O)CCC[C@H]1C Amb28198595 [0,1,0,1,0,0|1,0,0]=3 1386 B12R1.1414 C=CCCNC1=NCCCCC1 Amb28201248 [0,1,0,1,0,0|2,0,0]=4 1387 B12R1.1414 C=CCNN=C1CCCCCC1 Amb27653965 [0,1,0,1,0,0|2,0,0]=4 1388 B12R1.1414 C=CCONC1=NCCCCN1 Amb30036316 [0,1,0,1,0,0|2,0,0]=4 1389 B12R1.1414 C=CCO\N=C1\CCCOCC1 Amb27835667 [0,1,0,1,0,0|2,0,0]=4 1390 B12R1.1631 C=CCC[C@H]1C(=O)CCC[C@H]1C Amb28052478 [0,1,0,1,0,0|1,0,0]=3 1391 B12R1.1631 C=CCOC1=C(C)CCCC1=O Amb27861283 [0,1,0,1,0,0|0,0,1]=3 1392 B12R1.1631 CCCCC1C(=O)CCCC1=O Amb26413895 [0,1,0,1,0,0|1,0,1]=4 1393 B12R1.1631 C\C=C/CC1=C(C)CCCC1=O Amb27616701 [0,1,0,1,0,0|1,0,1]=4 1394 B12R1.57 C=CC1CC(=O)CCC1C(C)C Amb27177914 [0,1,0,1,0,0|1,0,0]=3 1395 B12R1.57 C=CC1CC(=O)NCC1C(C)O Amb28241895 [0,1,0,1,0,0|2,0,0]=4 1396 B12R1.65 C=CC1CC(=O)CC1CC(C)=O Amb27190795 [0,1,0,1,0,0|1,0,1]=4 1397 B12R1.65 C=C[C@H]1OC(=O)N[C@H]1CC(C)C Amb28194142 [0,1,0,1,0,0|1,0,0]=3 1398 B12R1.489 C=CCC1C(=O)CCC1C(C)C Amb25258458 [0,1,0,1,0,0|1,0,0]=3 1399 B12R1.489 C=CCN1C(=O)OC[C@@H]1C(C)C Amb28185014 [0,1,0,1,0,0|2,0,0]=4 1400 B12R1.489 C=CC[C@@H]1C(=O)CC[C@@H]1C(C)C Amb27818225 [0,1,0,1,0,0|1,0,0]=3 1401 B12R1.489 C=CC[C@H]1C(=O)CC[C@H]1C(C)C Amb24634660 [0,1,0,1,0,0|1,0,0]=3 1402 B12R1.895 CC(C)CCC1C(=O)CCC1=O Amb24445730 [0,1,0,1,0,0|2,0,0]=4 1403 B12R1.1113 C=CCC1C(=O)CCCC1(C)C Amb27802393 [0,1,0,1,0,0|1,0,0]=3 1404 B12R1.1113 C=CCN1C(=O)CNCC1(C)C Amb24497433 [0,1,0,1,0,0|2,0,0]=4 1405 B12R1.2028 C=CCNC(=O)C1CCC1(F)F Amb28369620 [0,1,0,1,0,0|2,0,0]=4 1406 B12R1.2265 C=CCCC1(C=O)CCCC1C Amb32675261 [0,1,0,1,0,0|1,0,1]=4 1407 B12R1.2279 C=CCCC1(C=O)CCCCC1 Amb32675237 [0,1,0,1,0,0|1,0,1]=4 1408 B12R1.15 C#CC(C)OC(=O)C1CCCC1 Amb27414380 [0,1,0,1,0,0|0,0,2]=4 1409 B12R1.15 C=CC(C)NC(=O)C1CCCC1 Amb27414289 [0,1,0,1,0,0|1,0,0]=3 1410 B12R1.15 C=CC(C)NC(=O)C1CCOC1 Amb27414290 [0,1,0,1,0,0|2,0,0]=4 1411 B12R1.15 C=CC(C)NC(=O)[C@@H]1CCCO1 Amb27751632 [0,1,0,1,0,0|2,0,0]=4 1412 B12R1.15 C=CC(C)NC(=O)[C@@H]1CCNC1 Amb35732856 [0,1,0,1,0,0|2,0,0]=4 1413 B12R1.15 C=CC(C)NC(=O)[C@H]1CCNC1 Amb35732855 [0,1,0,1,0,0|2,0,0]=4 1414 B12R1.15 CC(C#N)OC(=O)C1CCCC1 Amb25739627 [0,1,0,1,0,0|1,0,1]=4 1415 B12R1.365 C=CC(O)C1CCCCCC1=O Amb28243961 [0,1,0,1,0,0|1,0,0]=3 1416 B12R1.1624 CCCCC1C(=O)CC(O)C1=O Amb27748609 [0,1,0,1,0,0|2,0,0]=4 1417 B12R1.1624 CCCCC1C(=O)O[C@@H](C)[C@H]1O Amb27626881 [0,1,0,1,0,0|1,0,1]=4 1418 B12R1.1624 CCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O Amb27451092 [0,1,0,1,0,0|1,0,1]=4 1419 B12R1.1624 CCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O Amb27451993 [0,1,0,1,0,0|1,0,1]=4 1420 B12R1.1624 CCCC[C@H]1C(=O)O[C@@H](C)[C@H]1O Amb27428235 [0,1,0,1,0,0|1,0,1]=4 1421 B12R1.3441 C=C[C@H](O)[C@H]1C(=O)CCC[C@@H]1C Amb27432651 [0,1,0,1,0,0|1,0,0]=3 1422 B12R1.55 C=CCN(C)C(=O)C1CCCN1 Amb31099562 [0,1,0,1,0,0|2,0,0]=4 1423 B12R1.55 C=CCN(C)C(=O)C1CCNC1 Amb31099563 [0,1,0,1,0,0|2,0,0]=4 1424 B12R1.1482 C=CCC1(O)CCCCCC1=O Amb28381099 [0,1,0,1,0,0|1,0,0]=3 1425 B12R1.1482 C=CC[C@]1(F)CCCCCC1=O Amb27175918 [0,1,0,1,0,0|1,0,0]=3 1426 B12R1.1564 C=CCC(=O)C1=CCCCCC1 Amb27770115 [0,1,0,1,0,0|2,0,0]=4 1427 B12R1.1564 C=CCC(N)C1=CCCCCC1 Amb27656380 [0,1,0,1,0,0|2,0,0]=4 1428 B12R1.2606 C=CCC1(C)C(=O)CCCC1C Amb28074755 [0,1,0,1,0,0|1,0,0]=3 1429 B12R1.2606 C=CCC1(O)C(=O)CCCC1C Amb27178002 [0,1,0,1,0,0|1,0,0]=3 1430 B12R1.2606 C=CC[C@@]1(C)C(=O)CCCC1O Amb27227196 [0,1,0,1,0,0|2,0,0]=4 1431 B12R2.214 O=C1C[C@H]2CCC[C@H]1CC2=O Amb27212488 [0,0,0,2,0,0|2,0,0]=4 1432 B12R2.7 O=C1OCCNC12CCCC2 Amb5781663 [0,0,0,2,0,0|1,0,1]=4 1433 B12R2.24 O=C1CCC2CCCCC2O1 Amb3361282 [0,0,0,2,0,0|0,0,2]=4 1434 B12R2.24 O=C1CC[C@@H]2CCC=C[C@@H]2C1 Amb27260489 [0,0,0,2,0,0|1,0,0]=3 1435 B12R2.24 O=C1CC[C@H]2CCCC[C@H]2O1 Amb24590114 [0,0,0,2,0,0|0,0,2]=4 1436 B12R2.162 COCC1C2C=CC1C(=O)C2 Amb25828399 [0,0,0,2,0,0|2,0,0]=4 1437 B12R2.196 O=C1CC[C@@H]2[C@@H](O)C=CCN12 Amb27420483 [0,0,0,2,0,0|2,0,0]=4 1438 B12R2.196 O=C1CC[C@@H]2[C@H](O)C=CCN12 Amb27420482 [0,0,0,2,0,0|2,0,0]=4 1439 B12R2.1081 O=C1CCC=C2CCCCC12 Amb27409497 [0,0,0,2,0,0|1,0,0]=3 1440 B12R2.1081 O=C1CCC=C2CCCCN12 Amb28122716 [0,0,0,2,0,0|2,0,0]=4 1441 B12R2.1081 O=C1CCCC2CC=CCC12 Amb26053363 [0,0,0,2,0,0|1,0,0]=3 1442 B12R2.1081 O=C1CCC[C@@H]2CC=CC[C@H]12 Amb27447275 [0,0,0,2,0,0|1,0,0]=3 1443 B12R2.1081 O=C1CCC[C@H]2CC=CC[C@H]12 Amb27212455 [0,0,0,2,0,0|1,0,0]=3 1444 B12R2.202 C=C1CC2=C(C1)C(=O)CCC2 Amb27854585 [0,0,0,2,0,0|1,0,1]=4 1445 B12R2.202 C=C1CC2CCCC(=O)C2C1 Amb28202047 [0,0,0,2,0,0|1,0,0]=3 1446 B12R2.202 O=C1CC2CCCC(Br)C2O1 Amb28073080 [0,0,0,2,0,0|1,0,1]=4 1447 B12R2.202 O=C1CC2CCCC(O)C2O1 Amb27870881 [0,0,0,2,0,0|1,0,1]=4 1448 B12R2.202 O=C1C[C@@H]2CCC[C@@H](O)[C@H]2O1 Amb27184180 [0,0,0,2,0,0|1,0,1]=4 1449 B12R2.202 O=C1C[C@@H]2CCC[C@H](O)[C@H]2O1 Amb27623892 [0,0,0,2,0,0|1,0,1]=4 1450 B12R2.202 O=C1C[C@H]2CCCC(=O)[C@H]2N1 Amb27781073 [0,0,0,2,0,0|2,0,0]=4 1451 B12R2.375 O=C1C[C@@H]2[C@@H](CO)C=C[C@@H]2O1 Amb27443208 [0,0,0,2,0,0|1,0,0]=3 1452 B12R2.375 O=C1C[C@H]2[C@@H](CO)C=C[C@H]2O1 Amb27205692 [0,0,0,2,0,0|1,0,0]=3 1453 B12R2.376 C=CC1CCC2=C1C(=O)CC2 Amb27256466 [0,0,0,2,0,0|1,0,1]=4 1454 B12R2.586 O=C1CCC2CCC=CCN12 Amb27176602 [0,0,0,2,0,0|1,0,0]=3 1455 B12R2.586 O=C1OCC2=C1CCCCC2 Amb27668945 [0,0,0,2,0,0|0,0,2]=4 1456 B12R2.2918 C=C1COC2(CCCCC2)O1 Amb25198632 [0,0,0,2,0,0|0,0,2]=4 1457 B12R2.2034 NC1=NOC(=O)C12CCCC2 Amb32679771 [0,0,0,2,0,0|2,0,0]=4 1458 B12R2.2034 O=C1OOC(=O)C12CCCC2 Amb17779662 [0,0,0,2,0,0|2,0,0]=4 1459 B12R2.2285 C=CCC1C(=O)C2CCC1C2 Amb27781975 [0,0,0,2,0,0|1,0,0]=3 1460 B12R2.2285 C=CC[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 Amb27205215 [0,0,0,2,0,0|1,0,0]=3 1461 B12R2.2285 C=CC[C@H]1C(=O)[C@@H]2CC[C@H]1C2 Amb27433512 [0,0,0,2,0,0|1,0,0]=3 1462 B12R2.2285 O=CCN1C(=O)C2CCC1C2 Amb27983988 [0,0,0,2,0,0|2,0,0]=4 1463 B12R2.132 C=C1CCC2CCC(=O)CC12 Amb28253777 [0,0,0,2,0,0|1,0,0]=3 1464 B12R2.132 C=C1CC[C@@H]2CCC(=O)C[C@H]12 Amb28052300 [0,0,0,2,0,0|1,0,0]=3 1465 B12R2.114 O=C1CCC=C2CCCC2C1 Amb27973068 [0,0,0,2,0,0|1,0,0]=3 1466 B12R2.1067 O=C1N[C@@H]2C=CCCCC[C@H]12 Amb26891713 [0,0,0,2,0,0|1,0,0]=3 1467 B12R2.606 O=C1C=C[C@@H]2OC(=O)C[C@@H]2C1 Amb27970173 [0,0,0,2,0,0|1,0,1]=4 1468 B12R2.606 O=C1C[C@@H]2C[C@H](O)C=C[C@@H]2O1 Amb27486627 [0,0,0,2,0,0|1,0,0]=3 1469 B12R2.606 O=C1C[C@H]2C[C@H](O)C=C[C@H]2O1 Amb27853251 [0,0,0,2,0,0|1,0,0]=3 1470 B12R2.1225 C[C@H]1C[C@@H]2C(=O)CCC(=O)[C@H]12 Amb28054377 [0,0,0,2,0,0|2,0,0]=4 1471 B12R2.1670 NCC1OC(=O)CC12CCC2 Amb32645659 [0,0,0,2,0,0|1,0,1]=4 1472 B12R2.1670 NCC1OC(=O)CC12CCC2 Amb33097769 [0,0,0,2,0,0|1,0,1]=4 1473 B12R2.1670 O=C1CC2(CCC2)C(CI)O1 Amb32686516 [0,0,0,2,0,0|1,0,1]=4 1474 B12R2.3283 O=C(CC1CCC1)OC2CC2 Amb27988694 [0,0,0,2,0,0|0,0,2]=4 1475 B12R2.4920 C[C@]12CC[C@H]1C(=O)O[C@@H]2CO Amb27436945 [0,0,0,2,0,0|1,0,1]=4 1476 B12R2.591 C=C1CC2C(=O)CCC2C1C Amb28199818 [0,0,0,2,0,0|1,0,0]=3 1477 B12R2.1076 C=C1CN2C(=O)C[C@@H]2O[C@H]1C Amb28384066 [0,0,0,2,0,0|2,0,0]=4 1478 B12R2.1076 C=C1CN2C(=O)C[C@H]2O[C@H]1C Amb26564249 [0,0,0,2,0,0|2,0,0]=4