0 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 C#CCNCC(=O)O HY-142035 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 CCCCCC(C)N HY-B0952 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CCCCCC(C)O HY-W015879 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,0,0,0,0,0|0,0,4]=4 7 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,0,0,0,0,0|0,0,4]=4 8 B7R0.4 NCCCCC(=O)O HY-W015878 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.4 NCCOCC(=O)O HY-140643 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.4 NCCOCC(=O)O HY-140644 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.4 O=C(O)COCCBr HY-130163 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.4 O=C(O)COCCS HY-140730 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.4 O=[N+]([O-])OCCCO HY-139566 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.4 CCCCB(O)O HY-W000932 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,0,0,0,0|0,0,2]=3 22 B6R0.4 CSCCC(=O)O HY-101401 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,0,0,0,0|1,0,0]=2 26 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 O=CNCC(=O)O HY-128735 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,0,0,0,0|0,0,3]=4 30 B6R0.6 C=CCCCCO HY-W012995 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.6 CCCCCCO HY-W032022 [1,0,0,0,0,0|0,0,1]=2 32 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,0,0,0,0|0,0,2]=3 33 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,0,0,0,0|0,0,3]=4 34 B6R0.6 NCCCCCN HY-W016750 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 NCCCCCO HY-W012971 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.6 OCCOCCBr HY-141213 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 OCCOCCO HY-B1952 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,1,0,0,0,0|3,0,0]=4 42 B8R0.6 C=CC(O)CCCCC HY-W010410 [0,1,0,0,0,0|1,0,1]=3 43 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.6 CCCCCC(O)CC HY-W099689 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.7 C#CCOCCC(=O)O HY-130504 [0,1,0,0,0,0|0,0,2]=3 46 B8R0.7 CC(=O)NCCCCN HY-113100 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.7 CC(=O)NCCCCN HY-W342604 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,1,0,0,0,0|1,0,0]=2 50 B8R0.7 N=C(N)NCCCCN HY-101238 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.7 NCCOCCC(=O)O HY-140002 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.7 O=C(O)CCOCCO HY-116655 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,1,0,0,0,0|0,0,2]=3 55 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,1,0,0,0,0|0,0,0]=1 57 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,1,0,0,0,0|0,0,0]=1 58 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,1,0,0,0,0|0,0,0]=1 59 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,1,0,0,0,0|1,0,0]=2 65 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,1,0,0,0,0|1,0,0]=2 68 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,1,0,0,0,0|1,0,0]=2 70 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,1,0,0,0,0|1,0,0]=2 71 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,1,0,0,0,0|1,0,0]=2 72 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,1,0,0,0,0|1,0,0]=2 77 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,1,0,0,0,0|1,0,0]=2 78 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642A [0,1,0,0,0,0|3,0,0]=4 80 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O HY-W336328 [0,1,0,0,0,0|3,0,0]=4 81 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [0,1,0,0,0,0|0,0,2]=3 82 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,1,0,0,0,0|1,0,1]=3 87 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,1,0,0,0,0|2,0,1]=4 88 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,1,0,0,0,0|1,0,2]=4 89 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,1,0,0,0,0|0,0,1]=2 90 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.28 CC(C)CCCC(C)N HY-B1233A [0,1,0,0,0,0|2,0,1]=4 93 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,1,0,0,0,0|1,0,1]=3 97 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,0,0,1,0,0|0,0,0]=1 99 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,0,0,1,0,0|0,0,2]=3 108 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.7 O=C(O)C1CSSC1 HY-50730 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [0,0,0,1,0,0|1,0,2]=4 112 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,0,0,1,0,0|1,0,0]=2 113 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,0,0,1,0,0|1,0,0]=2 115 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,0,0,1,0,0|1,0,0]=2 116 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,0,0,1,0,0|1,0,0]=2 118 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,0,0,1,0,0|1,0,0]=2 119 B8R1.7 OB(O)C1CCCC1 HY-W000955 [0,0,0,1,0,0|1,0,1]=3 120 B8R1.7 S=C(S)N1CCCC1 HY-18738 [0,0,0,1,0,0|1,2,0]=4 121 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,1,0,0|0,0,0]=1 123 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,1,0,0|0,0,0]=1 124 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [0,0,0,1,0,0|3,0,0]=4 126 B5R0.1 C#CCC(=O)O HY-W004784 [2,0,0,0,0,0|0,0,2]=4 127 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|0,0,2]=4 128 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 CCCB(O)O HY-W007470 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,0]=3 135 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|0,0,2]=4 137 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|1,0,0]=3 138 B5R0.1 NCCS(=O)O HY-100803 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 NOCC(=O)O HY-107994 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.2 C#CCCCO HY-W010642 [2,0,0,0,0,0|0,0,2]=4 141 B5R0.2 CCSCCCl HY-W199190 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|0,0,2]=4 143 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|0,0,2]=4 144 B5R0.2 NCCCCO HY-W002041 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|0,0,0]=2 146 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|0,0,0]=2 147 B7R0.2 CCC(C)OC(C)=O HY-158759 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|0,0,0]=2 149 B7R0.2 NCC(O)CC(=O)O HY-B1427 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.3 CCCCC(=O)NN HY-W012890 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,1,0,0,0,0|0,0,2]=4 157 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,1,0,0,0,0|0,0,2]=4 158 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,1,0,0,0,0|0,0,1]=3 159 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,1,0,0,0,0|0,0,0]=2 160 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,1,0,0,0,0|0,0,0]=2 161 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,1,0,0,0,0|0,0,0]=2 162 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,1,0,0,0,0|0,0,0]=2 163 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,1,0,0,0,0|0,0,2]=4 164 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,1,0,0,0,0|1,0,0]=3 172 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,1,0,0,0,0|1,0,0]=3 174 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,1,0,0,0,0|1,0,0]=3 176 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,1,0,0,0,0|0,0,2]=4 178 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,1,0,0,0,0|0,0,1]=3 180 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,1,0,0,0,0|0,0,0]=2 182 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,1,0,0,0,0|0,0,0]=2 183 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [1,1,0,0,0,0|1,0,1]=4 185 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.8 CCCCC(C)(C)O HY-W111893 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.8 CNCCS(=O)(=O)O HY-W098348 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.8 NCCCP(=O)(O)O HY-W105694 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.8 NCCCS(=O)(=O)O HY-14602 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.1 C#CCCCCCBr HY-W459522 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.1 CCCCCCCO HY-W099504 [1,1,0,0,0,0|0,0,1]=3 193 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,1,0,0,0,0|0,0,1]=3 194 B7R0.1 COCCOCCO HY-140696 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.1 COCCOCCO HY-140696B [1,1,0,0,0,0|1,0,1]=4 196 B7R0.1 COCCOCCO HY-140696D [1,1,0,0,0,0|1,0,1]=4 197 B7R0.1 COCCOCCO HY-140696E [1,1,0,0,0,0|1,0,1]=4 198 B7R0.1 COCCOCCO HY-W012862 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.1 ClCCCCCCBr HY-W009787 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.1 NCCCCCCO HY-W007957 [1,1,0,0,0,0|0,0,1]=3 201 B7R0.1 OCCCCCCBr HY-W016455 [1,1,0,0,0,0|0,0,1]=3 202 B7R0.1 OCCCCCCCl HY-41681 [1,1,0,0,0,0|0,0,1]=3 203 B7R0.1 OCCCCCCO HY-W010505 [1,1,0,0,0,0|0,0,1]=3 204 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,2,0,0,0,0|1,0,0]=3 205 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,2,0,0,0,0|0,0,0]=2 206 B9R0.34 CCCC(O)CC(=O)OC HY-116632 [0,2,0,0,0,0|0,0,0]=2 207 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,2,0,0,0,0|1,0,1]=4 208 B9R0.53 CC(CC(=O)O)CC(=O)O HY-113410 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.1 CN(CCCC(=O)O)N=O HY-W679891 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,2,0,0,0,0|0,0,1]=3 211 B9R0.5 CCC\C=C\C(=O)OCC HY-W017567 [0,2,0,0,0,0|0,0,2]=4 212 B9R0.8 COC(=O)[C@@H](N)CCSC HY-W014916 [0,2,0,0,0,0|1,0,0]=3 213 B9R0.8 COC(=O)[C@H](N)CCSC HY-W014917 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.20 CCCCCS(=O)(=O)O[Na] HY-W016791 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.24 COC(=O)CCC(=O)CN HY-A0169A [0,2,0,0,0,0|1,0,1]=4 216 B9R0.24 COC(=O)CCC(=O)OC HY-Y0808 [0,2,0,0,0,0|1,0,1]=4 217 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,2,0,0,0,0|0,0,0]=2 218 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,2,0,0,0,0|0,0,0]=2 219 B9R0.47 C#CCSC[C@H](N)C(=O)O HY-W001538 [0,2,0,0,0,0|0,0,2]=4 220 B9R0.47 C=CCSC[C@@H](N)C(=O)O HY-W048286 [0,2,0,0,0,0|0,0,2]=4 221 B9R0.47 C=CCSC[C@H](N)C(=O)O HY-W013573 [0,2,0,0,0,0|0,0,2]=4 222 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436C [0,2,0,0,0,0|1,0,0]=3 223 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,2,0,0,0,0|0,0,0]=2 224 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,2,0,0,0,0|0,0,0]=2 225 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,2,0,0,0,0|0,0,0]=2 226 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,2,0,0,0,0|0,0,0]=2 227 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,2,0,0,0,0|0,0,0]=2 228 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,2,0,0,0,0|0,0,0]=2 229 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,2,0,0,0,0|0,0,0]=2 230 B9R0.47 NCCSC[C@H](N)C(=O)O HY-122526 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,2,0,0,0,0|0,0,0]=2 232 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O HY-140346A [0,2,0,0,0,0|2,0,0]=4 233 B9R0.2 C#CCCCCCC(=O)O HY-69220 [0,2,0,0,0,0|0,0,0]=2 234 B9R0.2 CC(=O)NCCCCCN HY-101403 [0,2,0,0,0,0|1,0,0]=3 235 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,2,0,0,0,0|0,0,0]=2 236 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,2,0,0,0,0|0,0,0]=2 237 B9R0.2 CCCCC\C=C\C(=O)O HY-W046906 [0,2,0,0,0,0|0,0,0]=2 238 B9R0.2 COCCOCCC(=O)O HY-130231 [0,2,0,0,0,0|0,0,0]=2 239 B9R0.2 COCCOCCC(=O)O HY-133324 [0,2,0,0,0,0|0,0,0]=2 240 B9R0.2 NCCSSCCC(=O)O HY-140096 [0,2,0,0,0,0|1,0,0]=3 241 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,2,0,0,0,0|0,0,0]=2 242 B9R0.2 [N-]=[N+]=NCCCCC(=O)O HY-130544 [0,2,0,0,0,0|1,0,0]=3 243 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,2,0,0,0,0|0,0,1]=3 244 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,2,0,0,0,0|0,0,1]=3 245 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,2,0,0,0,0|0,0,0]=2 246 B9R0.55 N=C(N)NCCCC(=O)O HY-113286 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [0,2,0,0,0,0|0,0,1]=3 248 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [0,2,0,0,0,0|0,0,1]=3 249 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [0,2,0,0,0,0|0,0,1]=3 250 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [0,2,0,0,0,0|0,0,1]=3 251 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,2,0,0,0,0|1,0,1]=4 253 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,2,0,0,0,0|1,0,1]=4 254 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [0,2,0,0,0,0|1,0,1]=4 255 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,2,0,0,0,0|1,0,1]=4 256 B9R0.7 CC(S)C(=O)NCC(=O)O HY-B0373 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,2,0,0,0,0|1,0,0]=3 258 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,2,0,0,0,0|1,0,0]=3 259 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,2,0,0,0,0|1,0,0]=3 260 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,2,0,0,0,0|1,0,1]=4 262 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,2,0,0,0,0|1,0,1]=4 263 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,2,0,0,0,0|1,0,1]=4 264 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,2,0,0,0,0|1,0,1]=4 265 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,2,0,0,0,0|1,0,1]=4 266 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,2,0,0,0,0|1,0,1]=4 269 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,2,0,0,0,0|1,0,1]=4 270 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,2,0,0,0,0|1,0,1]=4 271 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,2,0,0,0,0|1,0,1]=4 272 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,2,0,0,0,0|1,0,1]=4 274 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,2,0,0,0,0|1,0,1]=4 277 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,2,0,0,0,0|1,0,1]=4 279 B9R0.56 CC(N)CCCC(C)(C)O HY-B1231 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.56 CC(N)CCCC(C)(C)O HY-W685943 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.56 C[N+](C)(C)CCCC(=O)O HY-113270A [0,2,0,0,0,0|1,0,0]=3 282 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|1,0,1]=4 283 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,1,0,0|0,0,2]=4 284 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,0,0]=2 285 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,1,0,0|1,0,1]=4 286 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,0]=3 287 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,0]=2 288 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.3 OC1CCCCC1 HY-Y1217 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|0,0,0]=2 296 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [1,0,0,1,0,0|1,0,1]=4 297 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [1,0,0,1,0,0|1,0,1]=4 298 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|2,0,0]=4 303 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|2,0,0]=4 304 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [0,1,0,1,0,0|0,0,0]=2 305 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,1,0,1,0,0|1,0,0]=3 307 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.11 COC(=O)[C@@H]1CCCN1 HY-76134 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.11 O=C(NO)C1=CCCC1 HY-117554 [0,1,0,1,0,0|0,0,2]=4 312 B9R1.6 O=C(O)C1=CCCNC1 HY-100809 [0,1,0,1,0,0|0,0,2]=4 313 B9R1.6 O=C(O)C1=CCCNC1 HY-N2482A [0,1,0,1,0,0|0,0,2]=4 314 B9R1.6 O=C(O)C1=CCNCC1 HY-100810 [0,1,0,1,0,0|0,0,2]=4 315 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,1,0,1,0,0|0,0,0]=2 316 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,1,0,1,0,0|0,0,0]=2 317 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,1,0,1,0,0|0,0,0]=2 318 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,1,0,1,0,0|0,0,0]=2 319 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,1,0,1,0,0|0,0,0]=2 320 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,1,0,1,0,0|0,0,0]=2 321 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,1,0,1,0,0|0,0,0]=2 322 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,1,0,1,0,0|0,0,0]=2 323 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,1,0,1,0,0|0,0,0]=2 326 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,1,0,1,0,0|1,0,0]=3 327 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,1,0,1,0,0|1,0,0]=3 328 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,1,0,1,0,0|1,0,0]=3 329 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,1,0,1,0,0|1,0,0]=3 333 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,1,0,1,0,0|1,0,0]=3 334 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,1,0,1,0,0|1,0,1]=4 337 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,1,0,1,0,0|0,0,0]=2 340 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,1,0,1,0,0|0,0,0]=2 341 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [0,1,0,1,0,0|0,0,0]=2 342 B9R1.163 [2H]C1(C(=O)O)CCCN1 HY-W012908S1 [0,1,0,1,0,0|1,0,0]=3