0 B14R1.5977 C=C1CCCC(C)(C)C1\C=C\C(C)=O Amb25752909 [0,0,0,0,0,0|0,0,2]=2 1 B14R1.5977 CC(=O)CCC1=C(C)CCCC1(C)C Amb4053556 [0,0,0,0,0,0|0,0,2]=2 2 B14R1.5977 CC(=O)CCC1C(C)=CCCC1(C)C Amb22350479 [0,0,0,0,0,0|0,0,4]=4 3 B14R1.5977 CC(=O)CCC1C(C)CCCC1(C)C Amb22734102 [0,0,0,0,0,0|0,0,4]=4 4 B14R1.5977 CC(=O)O\C=C1\C(C)=CCCC1(C)C Amb6846014 [0,0,0,0,0,0|1,0,1]=2 5 B14R1.5977 CC(=O)\C=C/C1C(C)=CCCC1(C)C Amb27616372 [0,0,0,0,0,0|0,0,2]=2 6 B14R1.5977 CC(=O)\C=C\C1=C(C)CCCC1(C)C Amb533159 [0,0,0,0,0,0|0,0,0]=0 7 B14R1.5977 CC(=O)\C=C\C1C(C)=CCCC1(C)C Amb9703133 [0,0,0,0,0,0|0,0,2]=2 8 B14R1.5977 CC(=O)\C=C\C1C(C)CCCC1(C)C Amb26401979 [0,0,0,0,0,0|0,0,2]=2 9 B14R1.5977 CC1=C(CCC(C)N)C(C)(C)CCC1 Amb28410581 [0,0,0,0,0,0|1,0,3]=4 10 B14R1.5977 CC1=C(CCC(C)O)C(C)(C)CCC1 Amb26878174 [0,0,0,0,0,0|0,0,4]=4 11 B14R1.5977 CC1=C(\C=C\C(=O)O)C(C)(C)CCC1 Amb4090369 [0,0,0,0,0,0|1,0,0]=1 12 B14R1.5977 CC1=C(\C=C\C(C)Br)C(C)(C)CCC1 Amb27762670 [0,0,0,0,0,0|1,0,1]=2 13 B14R1.5977 CC1=C(\C=C\C(C)O)C(C)(C)CCC1 Amb663617 [0,0,0,0,0,0|0,0,2]=2 14 B14R1.5977 CC1=C(\C=C\C(N)=O)C(C)(C)CCC1 Amb27843465 [0,0,0,0,0,0|1,0,0]=1 15 B14R1.5977 CC1=C(\C=C\[C@@H](C)O)C(C)(C)CCC1 Amb28280967 [0,0,0,0,0,0|0,0,2]=2 16 B14R1.5977 CC1=C(\C=C\[C@H](C)O)C(C)(C)CCC1 Amb27826396 [0,0,0,0,0,0|0,0,2]=2 17 B14R1.5977 CC1=CCCC(C)(C)C1=C=C[C@@H](C)O Amb27833730 [0,0,0,0,0,0|0,0,4]=4 18 B14R1.5977 CC1=CCCC(C)(C)C1\C=C\C(=O)O Amb18651978 [0,0,0,0,0,0|1,0,2]=3 19 B14R1.5977 CC1=CCCC(C)(C)C1\C=C\C(C)Br Amb28348582 [0,0,0,0,0,0|1,0,3]=4 20 B14R1.5977 CC1=CCCC(C)(C)C1\C=C\C(C)O Amb22347885 [0,0,0,0,0,0|0,0,4]=4 21 B14R1.5977 CC1=CCCC(C)(C)[C@H]1\C=C\C(C)O Amb27457714 [0,0,0,0,0,0|0,0,4]=4 22 B14R1.5977 CC1=CCCC(C)(C)[C@H]1\C=C\[C@H](C)O Amb27443332 [0,0,0,0,0,0|0,0,4]=4 23 B14R1.5977 CC1=CCCC(C)(C)\C1=C/CC(C)O Amb24681916 [0,0,0,0,0,0|0,0,4]=4 24 B14R1.5977 CC1=CCCC(C)(C)\C1=C\CC(C)O Amb17616149 [0,0,0,0,0,0|0,0,4]=4 25 B14R1.5977 CC1CCCC(C)(C)C1=C=CC(=O)O Amb27955280 [0,0,0,0,0,0|1,0,2]=3 26 B14R1.5977 CC1CCCC(C)(C)\C1=N\NC(N)=O Amb27231832 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.5977 C[C@@H]1CCCC(C)(C)[C@H]1\C=C\C(=O)O Amb27863487 [0,0,0,0,0,0|1,0,2]=3 28 B13R1.1620 C#C\C=C\C1=C(C)CCCC1(C)C Amb16233614 [1,0,0,0,0,0|0,0,2]=3 29 B13R1.1620 CC1=C(CCC=O)C(C)(C)CCC1 Amb27403474 [1,0,0,0,0,0|0,0,2]=3 30 B13R1.1620 CC1=C(\C=C\CO)C(C)(C)CCC1 Amb28280988 [1,0,0,0,0,0|0,0,2]=3 31 B13R1.1620 CC1CCCC(C)(C)C1\C=C\C=O Amb27974649 [1,0,0,0,0,0|0,0,2]=3 32 B13R1.1620 C[C@H]1CCCC(C)(C)[C@H]1\C=C\C=O Amb28073053 [1,0,0,0,0,0|0,0,2]=3 33 B13R1.3575 CC(=O)\C=C\C1=CCCCC1(C)C Amb26958782 [1,0,0,0,0,0|0,0,0]=1 34 B13R1.3575 CC(=O)\C=C\[C@H]1C=CCCC1(C)C Amb27434301 [1,0,0,0,0,0|0,0,2]=3 35 B13R1.3575 CC1(C)CCCCC1\C=C\C(=O)O Amb33470092 [1,0,0,0,0,0|1,0,2]=4 36 B13R1.3787 C=C1CCCC(C)C1\C=C\C(C)=O Amb25735063 [1,0,0,0,0,0|0,0,2]=3 37 B13R1.3787 CC(=O)\C=C\C1=C(C)CCCC1C Amb28052214 [1,0,0,0,0,0|0,0,0]=1 38 B13R1.3787 CC1=CCCC(C)C1\C=C\C(=O)O Amb26863752 [1,0,0,0,0,0|1,0,2]=4 39 B13R1.3787 CC1CCCC(C)N1\C=C\C(=O)O Amb28347828 [1,0,0,0,0,0|2,0,1]=4 40 B15R1.8434 CC(=O)\C=C\C1C(C)=CCC(C)C1(C)C Amb33512722 [0,1,0,0,0,0|0,0,2]=3 41 B15R1.25522 CC(=O)\C(C)=C\C1C(C)=CCCC1(C)C Amb533156 [0,1,0,0,0,0|0,0,2]=3 42 B15R1.38786 CC1=C(C\C=C(/C)C=O)C(C)(C)CCC1 Amb533798 [0,1,0,0,0,0|0,0,1]=2 43 B15R1.38786 CCC(=O)\C=C\C1=C(C)CCCC1(C)C Amb17595529 [0,1,0,0,0,0|0,0,0]=1 44 B15R1.38786 C\C=C(C)\C=C\C1C(C)=CCCC1(C)C Amb30621738 [0,1,0,0,0,0|1,0,2]=4 45 B13R0.1398 CC(=O)\C=C\C=C(/C)CCC=C(C)C Amb541870 [0,0,1,0,0,0|0,0,2]=3 46 B15R2.16299 CC(=O)c1cc2c(o1)CCCC2(C)C Amb18190561 [0,0,0,1,0,0|1,0,0]=2 47 B15R2.16299 CC1(C)CCCc2oc(C(=O)O)cc21 Amb18815139 [0,0,0,1,0,0|2,0,0]=3 48 B15R2.19750 CC(=O)\C=C\C1[C@H]2CC[C@H](C2)C1(C)C Amb28131891 [0,0,0,1,0,0|0,0,2]=3 49 B15R2.19750 CC1(C)[C@H](\C=C\C(=O)O)[C@H]2CC[C@@H]1C2 Amb27614369 [0,0,0,1,0,0|1,0,2]=4 50 B15R2.19750 CC1(C)\C(=C\CC(=O)O)C2CCC1C2 Amb27858512 [0,0,0,1,0,0|1,0,2]=4 51 B15R2.19750 CC1(C)\C(=C\CC(=O)O)[C@H]2CC[C@@H]1C2 Amb28051902 [0,0,0,1,0,0|1,0,2]=4 52 B15R2.47874 CC1=C(C2CC(=O)N2)C(C)(C)CCC1 Amb27882679 [0,0,0,1,0,0|1,0,1]=3 53 B15R2.63883 CC1=CC=C2C(C)(C)CCCC2(C)O1 Amb27593014 [0,0,0,1,0,0|0,0,2]=3 54 B13R1.844 CC(=O)OC1C(C)=CCCC1(C)C Amb27654111 [0,0,0,0,1,0|1,0,2]=4 55 B13R1.844 CC(C)=C=C1C(=O)CCCC1(C)C Amb27948554 [0,0,0,0,1,0|2,0,1]=4 56 B13R1.844 CC1=C(CC(=O)O)C(C)(C)CCC1 Amb18129125 [0,0,0,0,1,0|1,0,1]=3 57 B13R1.844 CC1=C(CC(C)N)C(C)(C)CCC1 Amb24424161 [0,0,0,0,1,0|1,0,2]=4 58 B13R1.844 CC1CCCC(C)(C)\C1=C\C(=O)O Amb27401986 [0,0,0,0,1,0|1,0,1]=3 59 B13R1.5904 C=C(C)\C=C\C1C(=O)CCC1(C)C Amb26937888 [0,0,0,0,1,0|2,0,1]=4 60 B13R1.5904 CC(=O)\C=C\C1=C(C)CCC1(C)C Amb26344674 [0,0,0,0,1,0|0,0,0]=1 61 B12R1.1113 CC1=C(CC=O)C(C)(C)CCC1 Amb3939524 [2,0,0,0,0,0|0,0,1]=3 62 B12R1.125 CC(=O)C#CC1=CCCCC1C Amb27861215 [2,0,0,0,0,0|0,0,2]=4 63 B12R1.125 CC(=O)C\C=C1/C=CCCC1C Amb27861489 [2,0,0,0,0,0|0,0,2]=4 64 B12R1.125 CC(=O)C\C=C1/CCCC=C1C Amb27211924 [2,0,0,0,0,0|0,0,2]=4 65 B12R1.125 CC(=O)C\C=C1\CCCC=C1C Amb27789962 [2,0,0,0,0,0|0,0,2]=4 66 B12R1.125 CC(=O)O\C=C1\CCCCC1=O Amb25943440 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.125 CC(=O)\C=C\C1CCCCN1C Amb33322455 [2,0,0,0,0,0|1,0,1]=4 68 B12R1.125 CC(C)=C\C=C1/CCCCC1=O Amb27951489 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.125 CC(C)=C\C=C1\CCCCC1=O Amb27454661 [2,0,0,0,0,0|2,0,0]=4 70 B14R1.17001 CC1=C(C\C=C\C=O)C(C)(C)CCC1 Amb28252346 [1,1,0,0,0,0|0,0,0]=2 71 B14R1.17001 CC1=C(\C=C\CCO)C(C)(C)CCC1 Amb28350298 [1,1,0,0,0,0|0,0,1]=3 72 B14R1.18803 C=C1CCCC(C)(C)C1C(=O)\C=C\C Amb25944386 [1,1,0,0,0,0|0,0,2]=4 73 B14R1.18803 CC1=C(\C(C)=C\CO)C(C)(C)CCC1 Amb27662218 [1,1,0,0,0,0|0,0,2]=4 74 B14R1.18803 CCNC(=O)C1=C(C)CCCC1(C)C Amb28364371 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.18803 C\C=C/C(=O)C1=C(C)CCCC1(C)C Amb24538796 [1,1,0,0,0,0|0,0,0]=2 76 B14R1.18803 C\C=C\C(=O)C1C(C)=CCCC1(C)C Amb533152 [1,1,0,0,0,0|0,0,2]=4 77 B14R1.18803 C\C=C\C(O)C1=C(C)CCCC1(C)C Amb27755524 [1,1,0,0,0,0|0,0,1]=3 78 B14R1.19284 C=C\C=C\C1=C(C)C[C@@H](O)CC1(C)C Amb27772968 [1,1,0,0,0,0|0,0,1]=3 79 B14R1.19284 C\C=C\C=C1/C(C)=CC(=O)CC1(C)C Amb27798770 [1,1,0,0,0,0|0,0,2]=4 80 B14R1.20252 CC1=CCCC(C)(C)C1\C=C(/C)C=O Amb27620487 [1,1,0,0,0,0|0,0,2]=4 81 B14R1.24360 C[C@@H]1CCCC(C)(C)[C@]1(O)\C=C\C=O Amb27841712 [1,1,0,0,0,0|0,0,2]=4 82 B14R1.19598 COC(=O)\C=C\N1C(C)CCCC1C Amb27490515 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.5976 CC1=C(C(O)C(=O)O)C(C)(C)CCC1 Amb27650594 [0,1,0,0,1,0|1,0,1]=4 84 B16R1.51398 C=CC(C)(O)\C=C\C1=C(C)CCCC1(C)C Amb22002633 [0,2,0,0,0,0|0,0,2]=4 85 B16R1.69464 CC1=C(\C=C\C(C)=C\C=O)C(C)(C)CCC1 Amb17595961 [0,2,0,0,0,0|0,0,0]=2 86 B16R1.69464 CC1=C(\C=C\C(C)=C\CO)C(C)(C)CCC1 Amb16231544 [0,2,0,0,0,0|0,0,1]=3 87 B14R1.9916 CCCC(C)(C)c1ccc(O)cc1C Amb27750360 [0,0,1,1,0,0|0,0,2]=4 88 B14R1.9916 CCCC(C)(O)c1ccc(C)cc1C Amb25828223 [0,0,1,1,0,0|2,0,0]=4 89 B14R1.9916 CNCC(C)(C)c1ccc(C)cc1C Amb17235245 [0,0,1,1,0,0|2,0,0]=4 90 B14R1.9916 Cc1ccc(C(C)(C)CCN)c(C)c1 Amb17235243 [0,0,1,1,0,0|2,0,0]=4 91 B14R1.14398 CC(=O)c1cc(C(C)(C)C)n(C)c1C Amb26955543 [0,0,1,1,0,0|1,0,1]=4 92 B14R1.164 CC(=O)NC1C=C(C)CC[C@@H]1C(C)C Amb28251103 [0,0,1,1,0,0|1,0,1]=4 93 B14R1.164 CC(=O)\C=C1/CC(C)CCC1C(C)C Amb27599676 [0,0,1,1,0,0|0,0,2]=4 94 B14R1.4447 CC1=C(\C=C\C(C)O)C(C(C)C)CC1 Amb27661056 [0,0,1,1,0,0|0,0,2]=4 95 B14R1.4917 CN1CCC\C(=C\C=C\C(=O)O)CC1 Amb28041891 [0,0,1,1,0,0|2,0,0]=4 96 B14R1.6314 CC(C)C1C\C(=C\C=C\C(=O)O)CO1 Amb35607391 [0,0,1,1,0,0|2,0,0]=4 97 B14R1.6385 CC1(C)C\C(=C\C=C\C(=O)O)CCO1 Amb27241394 [0,0,1,1,0,0|2,0,0]=4 98 B14R2.4640 Cc1ccc2c(c1)CCCC2(C)C Amb22227678 [1,0,0,1,0,0|0,0,1]=3 99 B14R2.4640 Cc1ccc2c(c1)CCCC2(C)N Amb26611598 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.4640 Cc1ccc2c(c1)CNCC2(C)C Amb17400516 [1,0,0,1,0,0|1,0,1]=4 101 B14R2.4640 Cc1ccc2c(c1)CNCC2(C)C Amb19514925 [1,0,0,1,0,0|1,0,1]=4 102 B14R2.24466 CC1=C2C=CC(=O)CC2(C)CCC1 Amb28201078 [1,0,0,1,0,0|0,0,0]=2 103 B14R2.7969 CC(=O)c1cc2c(o1)CCCC2C Amb18195298 [1,0,0,1,0,0|1,0,0]=3 104 B14R2.7969 CC(=O)c1cc2c(o1)CCCC2N Amb18824723 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.7969 CC(=O)c1cc2c(s1)CCCC2N Amb18813522 [1,0,0,1,0,0|2,0,0]=4 106 B14R2.7969 CC(=O)c1cc2c(s1)CCCN2C Amb18189288 [1,0,0,1,0,0|2,0,0]=4 107 B14R2.7969 CC1CCCc2oc(C(=O)O)cc21 Amb18194011 [1,0,0,1,0,0|2,0,0]=4 108 B14R2.4536 Cc1ccc2c(c1)C(C)(C)CCC2 Amb24377604 [0,0,0,1,1,0|1,0,1]=4 109 B14R2.9437 CC(=O)\C=C1/[C@@H]2CC[C@@H](C2)C1(C)C Amb28201147 [0,0,0,1,1,0|0,0,1]=3 110 B14R2.9437 CC1(C)\C(=C\C(=O)O)[C@H]2CC[C@@H]1C2 Amb27657779 [0,0,0,1,1,0|1,0,1]=4 111 B14R2.28849 C=C1CCCC2(C)CCC(=O)C=C12 Amb27861273 [0,0,0,1,1,0|0,0,1]=3 112 B14R2.28849 CC12CCCC(=O)C1=CC(=O)CC2 Amb27782006 [0,0,0,1,1,0|1,0,0]=3 113 B14R2.28849 CC1=CCCC2(C)CCC(=O)C=C12 Amb27974061 [0,0,0,1,1,0|0,0,1]=3 114 B14R2.28849 CC1CCCC2(C)CCC(=O)C=C12 Amb27836827 [0,0,0,1,1,0|0,0,1]=3 115 B14R2.28849 C[C@@H]1CCC[C@]2(C)CCC(=O)C=C12 Amb27861290 [0,0,0,1,1,0|0,0,1]=3 116 B14R2.29740 CC1(C)CCCC2(C)CC(=O)C=C12 Amb28351638 [0,0,0,1,1,0|0,0,1]=3 117 B14R2.29740 CC1(C)CCCC2(C)OC(=O)C=C12 Amb19958645 [0,0,0,1,1,0|1,0,1]=4 118 B14R2.29740 CC1(C)CCC[C@]2(C)OC(=O)C=C12 Amb26624311 [0,0,0,1,1,0|1,0,1]=4 119 B16R2.85336 CC(=O)\C=C\C=C1\C2CCC(C2)C1(C)C Amb24074089 [0,0,0,1,0,1|0,0,1]=3 120 B16R2.401149 CC(=O)\C=C\C1C(C)(C)CCC2OC21C Amb22047818 [0,0,0,1,0,1|0,0,2]=4 121 B16R2.27398 CC(=O)c1ccc2c(c1)C(C)(C)CCS2 Amb8384000 [0,1,0,1,0,0|1,0,1]=4 122 B16R2.94326 CC1=C(\C=C\C2(C)CO2)C(C)(C)CCC1 Amb22546884 [0,1,0,1,0,0|0,0,2]=4 123 B12R1.391 CC(=O)NC1=CCCCC1(C)C Amb28208263 [1,0,0,0,1,0|1,0,0]=3 124 B12R1.391 CC(=O)NC1=CCCCC1(C)O Amb27876357 [1,0,0,0,1,0|2,0,0]=4 125 B12R1.391 CC(=O)\C=C1\CCCCC1(C)C Amb28074436 [1,0,0,0,1,0|0,0,1]=3 126 B12R1.391 CC1(C)CCCC\C1=C/C(=O)O Amb22059704 [1,0,0,0,1,0|1,0,1]=4 127 B12R1.924 CC(=O)OCC1=CCCC1(C)C Amb27237152 [1,0,0,0,1,0|1,0,1]=4 128 B12R1.924 CC(=O)\C=C\C1CCSC1(C)C Amb33224338 [1,0,0,0,1,0|1,0,1]=4 129 B12R1.924 CC1(C)CCCN1\C=C\C(=O)O Amb27804238 [1,0,0,0,1,0|2,0,0]=4 130 B12R1.895 C=C1CCC(C)C1\C=C\C(C)=O Amb27859448 [1,0,0,0,1,0|0,0,2]=4 131 B12R1.895 C=C1CC[C@@H](C)[C@@H]1\C=C\C(C)=O Amb28285920 [1,0,0,0,1,0|0,0,2]=4 132 B12R1.1258 CC(=O)C1=C(C)C=CCC1(C)C Amb17594081 [0,0,0,0,2,0|0,0,2]=4 133 B12R1.1258 CC(=O)C1=C(C)CC=CC1(C)C Amb25837311 [0,0,0,0,2,0|0,0,2]=4 134 B12R1.1258 CC(=O)C1C(C)=CCCC1(C)C Amb27828842 [0,0,0,0,2,0|0,0,2]=4 135 B12R1.1258 CC(=O)C1C(C)CCCC1(C)C Amb28325915 [0,0,0,0,2,0|0,0,2]=4 136 B12R1.1258 CC(=O)C1[C@H](C)CCCC1(C)C Amb27948658 [0,0,0,0,2,0|0,0,2]=4 137 B12R1.1258 CC(=O)N1C(C)CCCC1(C)C Amb26558047 [0,0,0,0,2,0|1,0,1]=4 138 B12R1.1258 CC(=O)[C@@H]1[C@@H](C)CCCC1(C)C Amb27862451 [0,0,0,0,2,0|0,0,2]=4 139 B12R1.1258 CC(=O)[C@@H]1[C@H](C)CCCC1(C)C Amb26431856 [0,0,0,0,2,0|0,0,2]=4 140 B12R1.1258 CC(=O)[C@H]1[C@H](C)CCCC1(C)C Amb26491730 [0,0,0,0,2,0|0,0,2]=4 141 B12R1.1258 CC1=C(C(=O)Cl)C(C)(C)CCC1 Amb22358975 [0,0,0,0,2,0|1,0,0]=3 142 B14R1.6315 CC1(C)CCCC\C1=C/C=C/C(=O)O Amb27812347 [1,0,0,0,0,1|1,0,1]=4 143 B14R1.4920 CC1=C(\C=C/CC(=O)O)C(C)CCC1 Amb28121100 [1,0,0,0,0,1|1,0,0]=3 144 B14R1.4920 CC1=C(\C=N\NC(N)=O)C(C)CCC1 Amb27781503 [1,0,0,0,0,1|2,0,0]=4