0 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,0,0|0,0,0]=0 4 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 CC(C)CCCO HY-W007511 [1,0,0,0,0,0|0,0,1]=2 12 B6R0.4 CCCCB(O)O HY-W000932 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.4 CN(C)CCCCl HY-W018789 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CSCCC(=O)O HY-101401 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,0,0,0,0|0,0,2]=3 20 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.4 O=CNCC(=O)O HY-128735 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [0,1,0,0,0,0|1,0,1]=3 26 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,1,0,0,0,0|1,0,1]=3 31 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,1,0,0,0,0|2,0,1]=4 32 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,0,0,0,0|0,0,1]=2 35 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,0,0,0,0|0,0,1]=2 36 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,1,0,0,0,0|0,0,0]=1 37 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,1,0,0,0,0|0,0,0]=1 38 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,1,0,0,0,0|0,0,0]=1 39 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,1,0,0,0,0|0,0,0]=1 40 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,1,0,0,0,0|0,0,0]=1 42 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,1,0,0,0,0|0,0,0]=1 45 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,1,0,0,0,0|0,0,0]=1 46 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,1,0,0,0,0|0,0,0]=1 47 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,1,0,0,0,0|2,0,1]=4 52 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,1,0,0,0,0|2,0,1]=4 55 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,1,0,0,0,0|2,0,1]=4 56 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-100804 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-W017230 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,1,0,0,0,0|2,0,1]=4 60 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.29 O=C(O)CCS(=O)(=O)O HY-W251779 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.29 [2H]C([2H])([2H])NCC(=O)O HY-101037S1 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,0,0,1,0,0|1,0,2]=4 74 B6R0.2 CC(C)CB(O)O HY-W000978 [0,0,0,0,1,0|1,0,1]=3 75 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,1,0|0,0,0]=1 76 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,1,0|1,0,0]=2 77 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,1,0|0,0,0]=1 78 B6R0.2 CC(C)SC(=N)N HY-101304 [0,0,0,0,1,0|3,0,0]=4 79 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,1,0|1,0,0]=2 80 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,1,0|1,0,0]=2 81 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,1,0|1,0,0]=2 82 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,1,0|1,0,0]=2 83 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,1,0|1,0,0]=2 84 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,1,0|1,0,0]=2 85 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,1,0|1,0,0]=2 86 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,1,0|1,0,0]=2 87 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,1|1,0,1]=3 88 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,0,0,0,0,1|1,0,1]=3 89 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,0,0,0,0,1|1,0,1]=3 90 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,0,0,0,0,1|2,0,1]=4 91 B8R0.28 CC(C)CCCC(C)N HY-B1233A [0,0,0,0,0,1|2,0,1]=4 92 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,0,0,0,0,1|2,0,1]=4 93 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,0,0,0,0,1|2,0,1]=4 94 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,0,0,0,0,1|2,0,1]=4 95 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,0,0,0,0,1|2,0,1]=4 96 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [0,0,0,0,0,1|2,0,1]=4 97 B5R0.1 C#CCC(=O)O HY-W004784 [2,0,0,0,0,0|0,0,2]=4 98 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|0,0,2]=4 99 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|0,0,2]=4 101 B5R0.1 CC(C)=CCO HY-W013035 [2,0,0,0,0,0|0,0,2]=4 102 B5R0.1 CC(O)CCO HY-77490A [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 CCCB(O)O HY-W007470 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 107 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|1,0,0]=3 108 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,0]=3 109 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,0]=3 110 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,0]=3 111 B5R0.1 C[C@@H](O)CCO HY-77490 [2,0,0,0,0,0|1,0,0]=3 112 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|0,0,2]=4 113 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.1 NCCS(=O)O HY-100803 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.1 NOCC(=O)O HY-107994 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|0,0,2]=4 117 B5R0.2 NCCCCO HY-W002041 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|0,0,0]=2 119 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|0,0,0]=2 120 B7R0.2 CCC(C)OC(C)=O HY-158759 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|0,0,0]=2 122 B7R0.2 NCC(O)CC(=O)O HY-B1427 [1,1,0,0,0,0|1,0,0]=3 123 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,1,0,0,0,0|1,0,0]=3 124 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [1,1,0,0,0,0|0,0,1]=3 125 B7R0.3 CCCCC(=O)NN HY-W012890 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|1,0,0]=3 128 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,1,0,0,0,0|0,0,1]=3 130 B7R0.4 C#CCNCC(=O)O HY-142035 [1,1,0,0,0,0|0,0,2]=4 131 B7R0.4 CCCCCC(C)O HY-W015879 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|0,0,1]=3 133 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,1,0,0,0,0|0,0,1]=3 134 B7R0.4 NCCCCC(=O)O HY-W015878 [1,1,0,0,0,0|0,0,0]=2 135 B7R0.4 NCCOCC(=O)O HY-140643 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.4 NCCOCC(=O)O HY-140644 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,1,0,0,0,0|0,0,0]=2 139 B7R0.4 O=C(O)COCCBr HY-130163 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.4 O=C(O)COCCS HY-140730 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,1,0,0,0,0|0,0,2]=4 142 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,1,0,0,0,0|0,0,1]=3 145 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,1,0,0,0,0|0,0,0]=2 146 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,1,0,0,0,0|0,0,0]=2 147 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,1,0,0,0,0|0,0,0]=2 148 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,1,0,0,0,0|0,0,0]=2 149 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,1,0,0,0,0|1,0,0]=3 158 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,1,0,0,0,0|1,0,0]=3 160 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,1,0,0,0,0|1,0,0]=3 162 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,1,0,0,0,0|1,0,0]=3 163 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,1,0,0,0,0|0,0,2]=4 164 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.8 CCCCC(C)(C)O HY-W111893 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.8 CNCCS(=O)(=O)O HY-W098348 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.8 NCCCP(=O)(O)O HY-W105694 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.8 NCCCS(=O)(=O)O HY-14602 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,1,0,0,1,0|0,0,0]=2 170 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,1,0,0,1,0|1,0,1]=4 171 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,1,0,0,1,0|1,0,1]=4 172 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,1,0,0,1,0|1,0,0]=3 173 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,1,0,0,1,0|1,0,1]=4 174 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,1,0,0,1,0|1,0,1]=4 175 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,1,0|0,0,1]=3 176 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,1,0|0,0,0]=2 177 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,1,0|0,0,0]=2 178 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,1,0|0,0,0]=2 179 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,1,0|0,0,0]=2 180 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,1,0|0,0,0]=2 181 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,1,0|1,0,0]=3 182 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,1,0|1,0,0]=3 183 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,1,0|1,0,0]=3 184 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,1,0|1,0,0]=3 185 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,1,0|1,0,0]=3 186 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,1,0|1,0,0]=3 187 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,1,0|1,0,0]=3 188 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,1,0|1,0,0]=3 189 B9R0.1 CN(CCCC(=O)O)N=O HY-W679891 [0,1,0,0,0,1|2,0,0]=4 190 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,1,0,0,0,1|1,0,1]=4 191 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,1,0,0,0,1|1,0,1]=4 192 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,1,0,0,0,1|1,0,1]=4 193 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,1,0,0,0,1|1,0,1]=4 194 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [0,1,0,0,0,1|0,0,1]=3 195 B9R0.7 CC(S)C(=O)NCC(=O)O HY-B0373 [0,1,0,0,0,1|1,0,1]=4 196 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,1,0,0,0,1|2,0,0]=4 197 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,1,0,0,0,1|2,0,0]=4 198 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,1,0,0,0,1|1,0,0]=3 199 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,1,0,0,0,1|1,0,0]=3 200 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-101086 [0,1,0,0,0,1|2,0,0]=4 201 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282 [0,1,0,0,0,1|2,0,0]=4 202 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282A [0,1,0,0,0,1|2,0,0]=4 203 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282R [0,1,0,0,0,1|2,0,0]=4 204 B9R0.56 CC(=O)SCC[N+](C)(C)C HY-D0904 [0,1,0,0,0,1|2,0,0]=4 205 B9R0.56 C[N+](C)(C)CCCC(=O)O HY-113270A [0,1,0,0,0,1|1,0,0]=3 206 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] HY-B1836 [0,1,0,0,0,1|1,0,1]=4 207 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] HY-B1836A [0,1,0,0,0,1|1,0,1]=4 208 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,2,0,0,0,0|0,0,1]=3 209 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,2,0,0,0,0|0,0,0]=2 210 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,2,0,0,0,0|0,0,0]=2 211 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,2,0,0,0,0|0,0,0]=2 212 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,2,0,0,0,0|0,0,0]=2 213 B9R0.24 COC(=O)CCC(=O)CN HY-A0169A [0,2,0,0,0,0|1,0,1]=4 214 B9R0.24 COC(=O)CCC(=O)OC HY-Y0808 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,2,0,0,0,0|0,0,0]=2 217 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [0,2,0,0,0,0|1,0,0]=3 218 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [0,2,0,0,0,0|1,0,0]=3 219 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|0,0,2]=4 220 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,1,0,0|0,0,2]=4 221 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,0,0]=2 222 B7R1.2 CN1CCC(O)C1 HY-I0708 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,0]=2 228 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.3 OC1CCCCC1 HY-Y1217 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.7 C=CCC[C@@H]1CO1 HY-46575 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,1,0,0|1,0,0]=3 235 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|0,0,0]=2 237 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [0,0,0,1,0,1|1,0,0]=3 238 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [0,0,0,1,0,1|1,0,0]=3 239 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,1|1,0,0]=3 240 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,1,0,1|1,0,0]=3 241 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,1|1,0,0]=3 242 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,1|1,0,0]=3 243 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,1|1,0,0]=3 244 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,1|1,0,0]=3 245 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,1|1,0,0]=3 246 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,1|1,0,0]=3 247 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,1|1,0,0]=3 248 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,1,0,1|1,0,0]=3 249 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,0,0,1,0,1|1,0,0]=3 250 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,0,1|2,0,0]=4 251 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,0,1|2,0,0]=4 252 B9R1.10 CC1(C)CCC(=O)CC1 HY-W002564 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.10 CC1(O)CCC(=O)CC1 HY-W036733 [0,1,0,1,0,0|1,0,0]=3 254 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.133 CC1(C)OC[C@H](C=O)O1 HY-I0606B [0,1,0,1,0,0|1,0,1]=4 256 B9R1.138 CC1(C)COC(=O)C1O HY-W053519 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.138 [C@H]1(O)C(=O)OCC1(C)C HY-W010396 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.38 CC1(C)OC(=O)NC1=O HY-B1348 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,1,0,1,0,0|0,0,0]=2 260 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,2,0|1,0,1]=4 261 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,2,0|1,0,1]=4 262 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,2,0|2,0,0]=4 263 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,2,0|1,0,1]=4 264 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,2,0|1,0,0]=3 265 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,2,0|1,0,0]=3 266 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,2,0|1,0,0]=3 267 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,2,0|1,0,0]=3 268 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,2,0|1,0,0]=3 269 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,2,0|1,0,0]=3 270 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,2,0|1,0,1]=4 271 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,2,0|1,0,1]=4 272 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,2,0|1,0,0]=3 273 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,2,0|1,0,0]=3 274 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,2,0|1,0,0]=3 275 B5R0.5 O=C(O)C(Br)Br HY-23399 [0,0,0,0,2,0|2,0,0]=4 276 B5R0.5 O=C(O)C(O)O HY-W019724 [0,0,0,0,2,0|2,0,0]=4 277 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,0,0,0,0,2|1,0,1]=4 278 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,0,0,0,0,2|0,0,0]=2