0 B10R1.18 O=C(O)CC1CCCCC1 HY-W018653 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.8 OCCN1CCCCC1 HY-W012728 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.8 OCCN1CCNCC1 HY-41939 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.36 NC(C(=O)O)C1CCCCC1 HY-41267 [0,1,0,0,0,0|0,0,0]=1 4 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 HY-42354 [0,1,0,0,0,0|0,0,0]=1 5 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 HY-W050785 [0,1,0,0,0,0|0,0,0]=1 6 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 HY-20838B [0,1,0,0,0,0|1,0,0]=2 7 B11R1.509 O=S(=O)(O)NC1CCCCC1 HY-B0541 [0,1,0,0,0,0|2,0,0]=3 8 B9R0.2 C#CCCCCCC(=O)O HY-69220 [0,0,1,0,0,0|0,0,2]=3 9 B9R0.2 CC(=O)NCCCCCN HY-101403 [0,0,1,0,0,0|3,0,0]=4 10 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,0,1,0,0,0|0,0,0]=1 11 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,0,1,0,0,0|0,0,0]=1 12 B9R0.2 CCCCC\C=C\C(=O)O HY-W046906 [0,0,1,0,0,0|0,0,2]=3 13 B9R0.2 COCCOCCC(=O)O HY-130231 [0,0,1,0,0,0|2,0,0]=3 14 B9R0.2 COCCOCCC(=O)O HY-133324 [0,0,1,0,0,0|2,0,0]=3 15 B9R0.2 NCCSSCCC(=O)O HY-140096 [0,0,1,0,0,0|3,0,0]=4 16 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,0,1,0,0,0|1,0,0]=2 17 B9R0.2 [N-]=[N+]=NCCCCC(=O)O HY-130544 [0,0,1,0,0,0|3,0,0]=4 18 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,0,1,0,0,0|2,0,0]=3 19 B9R1.6 O=C(O)C1=CCCNC1 HY-100809 [0,0,0,0,1,0|1,0,2]=4 20 B9R1.6 O=C(O)C1=CCCNC1 HY-N2482A [0,0,0,0,1,0|1,0,2]=4 21 B9R1.6 O=C(O)C1=CCNCC1 HY-100810 [0,0,0,0,1,0|1,0,2]=4 22 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,0,0,0,1,0|0,0,0]=1 23 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,0,0,1,0|1,0,0]=2 24 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,0,0,0,1,0|1,0,0]=2 25 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,0,0,0,1,0|1,0,0]=2 26 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,0,0,0,1,0|1,0,0]=2 27 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,0,0,1,0|1,0,0]=2 28 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,0,0,1,0|1,0,0]=2 29 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,0,0,0,1,0|1,0,0]=2 30 B8R0.4 C=CCCCCCCO HY-W127366 [1,0,1,0,0,0|2,0,0]=4 31 B8R0.4 CCCCCCCC=O HY-N8015 [1,0,1,0,0,0|0,0,0]=2 32 B8R0.4 CCCCCCCCBr HY-W032015 [1,0,1,0,0,0|1,0,1]=4 33 B8R0.4 CCCCCCCCN HY-W032014 [1,0,1,0,0,0|1,0,1]=4 34 B8R0.4 CCCCCCCCO HY-W032013 [1,0,1,0,0,0|0,0,1]=3 35 B8R0.4 COCCOCCC=O HY-W1049075C [1,0,1,0,0,0|2,0,0]=4 36 B8R0.4 OCCCCCCCBr HY-W008425 [1,0,1,0,0,0|1,0,1]=4 37 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,0,1,0,0,0|1,0,0]=3 38 B8R0.7 COCCOCC(=O)O HY-W1048558A [1,0,1,0,0,0|2,0,0]=4 39 B8R0.7 NCCOCCC(=O)O HY-140002 [1,0,1,0,0,0|2,0,0]=4 40 B8R0.7 O=C(O)CCOCCO HY-116655 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,0,1,0,0,0|1,0,0]=3 42 B8R0.16 CCN(CC)CC(=O)O HY-W051299 [1,0,1,0,0,0|1,0,0]=3 43 B8R1.2 OCC1CCCCO1 HY-115051 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.2 OCC1CCOCC1 HY-79631 [2,0,0,0,0,0|1,0,0]=3 45 B10R0.4 CCCCCCCCC(=O)O HY-N7057 [0,1,1,0,0,0|0,0,0]=2 46 B10R0.4 CCCCCCCOC(C)=O HY-W099503 [0,1,1,0,0,0|1,0,0]=3 47 B10R0.4 NCCCCCCCC(=O)O HY-W018678 [0,1,1,0,0,0|0,0,0]=2 48 B10R0.4 NCCOCCOCC(=O)O HY-168940B [0,1,1,0,0,0|2,0,0]=4 49 B10R0.4 NCCOCCOCC(=O)O HY-W006524 [0,1,1,0,0,0|2,0,0]=4 50 B10R0.4 O=C(O)COCCOCCCl HY-43055 [0,1,1,0,0,0|2,0,0]=4 51 B10R0.6 CCCCCC(O)CC(=O)O HY-113058 [0,1,1,0,0,0|0,0,0]=2 52 B10R0.22 [2H]C([2H])(O)CCCCCCC HY-W032013S1 [0,1,1,0,0,0|1,0,1]=4 53 B10R0.74 C=CC(=O)OCCCCCC HY-W110166 [0,1,1,0,0,0|2,0,0]=4 54 B10R0.74 CCCCCC#CC(=O)OC HY-W013576 [0,1,1,0,0,0|0,0,2]=4 55 B10R0.74 CCCCCCCC(=O)NO HY-W001857 [0,1,1,0,0,0|0,0,0]=2 56 B10R0.74 CCCCCCCC(=O)OC HY-W087943 [0,1,1,0,0,0|0,0,0]=2 57 B10R0.74 CCCCCCCC(=O)O[Na] HY-W015339 [0,1,1,0,0,0|0,0,0]=2 58 B10R0.74 CCCCC\C=C\C(=O)OC HY-W039379 [0,1,1,0,0,0|0,0,2]=4 59 B10R0.75 CCCCCCC(N)C(=O)O HY-W015461 [0,1,1,0,0,0|0,0,0]=2 60 B10R0.75 CCCCCCC(O)C(=O)O HY-W015444 [0,1,1,0,0,0|0,0,0]=2 61 B10R0.75 N[C@@H](CSCCCO)C(=O)O HY-B0393 [0,1,1,0,0,0|2,0,0]=4 62 B10R0.78 CCCCC(C)CCC(=O)O HY-W010178 [0,1,1,0,0,0|0,0,0]=2 63 B10R0.97 O=C(O)CCCCCC(=O)O HY-Y1139 [0,1,1,0,0,0|1,0,1]=4 64 B10R0.18 CCCCC(=O)CC(=O)OC HY-W099750 [0,1,1,0,0,0|1,0,1]=4 65 B10R0.96 CC(CCC(=O)O)CC(=O)O HY-113277 [0,1,1,0,0,0|1,0,1]=4 66 B10R0.79 O=C(O)CN(CCO)CCO HY-D0868 [0,1,1,0,0,0|2,0,0]=4 67 B10R1.17 BrCCOC1CCCCC1 HY-W092895 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.17 OCCOC1CCCCO1 HY-W038771 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.13 O=C(O)C1CCC(O)CC1 HY-W015675 [0,1,0,0,1,0|0,0,0]=2 70 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 HY-76199 [0,1,0,0,1,0|0,0,0]=2 71 B10R1.28 O=S(=O)(O)C1CCNCC1 HY-139116 [0,1,0,0,1,0|2,0,0]=4 72 B10R1.61 O=C(O)C1CCCCN1O HY-N7378 [0,1,0,0,1,0|1,0,0]=3 73 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,1,0,0,1,0|1,0,1]=4 74 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,1,0,0,1,0|1,0,1]=4 75 B10R1.23 NC(C(=O)O)C1CCCC1 HY-W040803 [0,1,0,0,1,0|0,0,0]=2 76 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O HY-W002450 [0,1,0,0,0,1|0,0,0]=2 77 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O HY-60040 [0,1,0,0,0,1|0,0,0]=2 78 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 HY-42356 [0,2,0,0,0,0|0,0,0]=2 79 B12R1.194 O=S(=O)(NC1CCCCC1)O[Na] HY-W014839 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.194 O=S(=O)(NC1CCCCC1)O[Na] HY-W014839R [0,2,0,0,0,0|2,0,0]=4 81 B12R1.3862 NCC1(CC(=O)O)CCCCC1 HY-A0057 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.3862 NCC1(CC(=O)O)CCCCC1 HY-A0057A [0,2,0,0,0,0|0,0,0]=2 83 B10R2.7 C1CCC2CNCC2C1 HY-W017933 [1,0,0,1,0,0|2,0,0]=4 84 B10R2.71 O=C1CC2CCC(C1)N2 HY-76030 [0,0,0,1,1,0|2,0,0]=4 85 B12R2.1154 CN1C2CCCC1CC(=O)C2 HY-W017353 [0,1,0,1,0,0|2,0,0]=4 86 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,0,1,0,1,0|0,0,0]=2 87 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,0,1,0,1,0|1,0,0]=3 88 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,0,1,0,1,0|1,0,0]=3 89 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,0,1,0,1,0|1,0,0]=3 90 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,0,1,0,1,0|1,0,0]=3 91 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,0,1,0,1,0|2,0,0]=4 92 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,0,1,0,1,0|2,0,0]=4 93 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,0,1,0,1,0|2,0,0]=4 94 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,0,1,0,1,0|2,0,0]=4 95 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,0,1,0,1,0|2,0,0]=4 96 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,0,1,0,1,0|2,0,0]=4 97 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,0,1,0,1,0|2,0,0]=4 98 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,0,1,0,1,0|2,0,0]=4 99 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,0,1,0,1,0|2,0,0]=4 100 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,0,1,0,1,0|2,0,0]=4 101 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,0,1,0,1,0|2,0,0]=4 102 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,0,1,0,1,0|2,0,0]=4 103 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,0,1,0,1,0|2,0,0]=4 104 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,0,1,0,1,0|2,0,0]=4 105 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,0,1,0,1,0|2,0,0]=4 106 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,0,1,0,1,0|2,0,0]=4 107 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,0,1,0,1,0|2,0,0]=4 108 B8R1.8 OCCN1CCCC1 HY-W010519 [1,0,0,0,1,0|1,0,1]=4 109 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,0,0,0,2,0|2,0,0]=4 110 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,0,0,0,2,0|2,0,0]=4 111 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,0,0,0,2,0|2,0,0]=4 112 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,0,0,0,2,0|0,0,2]=4 113 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,0,0,0,2,0|1,0,0]=3 114 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,0,0,0,2,0|2,0,0]=4 115 B8R1.7 O=C(O)C1CSSC1 HY-50730 [0,0,0,0,2,0|2,0,0]=4 116 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,0,0,0,2,0|1,0,0]=3 117 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,0,0,0,2,0|1,0,0]=3 118 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,0,0,0,2,0|1,0,0]=3 119 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,0,0,0,2,0|1,0,0]=3 120 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,0,0,0,2,0|2,0,0]=4 121 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,0,0,0,2,0|1,0,0]=3 122 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,0,0,0,2,0|1,0,0]=3 123 B8R1.7 OB(O)C1CCCC1 HY-W000955 [0,0,0,0,2,0|1,0,1]=4