0 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 CC(CO)C(=O)O HY-113126 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CCC(O)C(=O)O HY-113381 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.3 CON(C)C(C)=O HY-W001095 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,0,0,0,0,0|0,0,0]=0 18 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [0,0,0,0,0,0|4,0,0]=4 19 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,0,0,0,0,0|2,0,2]=4 26 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,0,0,0,0,0|2,0,2]=4 29 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,0,0,0,0,0|2,0,2]=4 32 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,0,0,0,0,0|2,0,2]=4 34 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,0,0,0,0,0|2,0,2]=4 35 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,0,0,0,0,0|1,0,1]=2 44 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,0,0,0,0,0|1,0,2]=3 45 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|0,0,3]=4 47 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|0,0,2]=3 48 B5R0.1 CC(C)=CC=O HY-34409 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|0,0,0]=1 56 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.3 CCC(C)C=O HY-W020678 [1,0,0,0,0,0|0,0,2]=3 60 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,0,0,0,0,0|1,0,0]=2 61 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,0,0,0,0,0|1,0,0]=2 63 B5R0.5 CC(=O)N(C)C HY-W042416 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.5 CC(N)C(=O)O HY-N2362 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.5 CC(O)C(=O)O HY-B1530 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.5 CC(O)C(=O)O HY-B2227 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.5 CC(O)C(=O)O HY-B2227D [1,0,0,0,0,0|1,0,1]=3 69 B5R0.5 CC(O)C(=O)O HY-B2227R [1,0,0,0,0,0|1,0,1]=3 70 B5R0.5 CC(O)C(=O)O HY-W250313 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,0,0,0,0,0|1,0,2]=4 72 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,0,0,0,0,0|1,0,2]=4 73 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,0,0,0,0,0|1,0,1]=3 75 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.5 N=C(N)S(=O)O HY-W015915 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.5 NC(=O)C(=O)O HY-W013032 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.5 O=C(O)C(=O)O HY-W041831 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.5 O=C(O)C(=O)O HY-Y0262 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.5 O=C(O)C(=O)O HY-Y0262A [1,0,0,0,0,0|2,0,0]=3 81 B5R0.5 O=C(O)C(=O)O HY-Y1297 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.5 O=C(O)C(O)O HY-W019724 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,1,0,0,0,0|0,0,2]=3 86 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,0,0,0,0|0,0,2]=3 89 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,1,0,0,0,0|0,0,0]=1 94 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,1,0,0,0,0|1,0,2]=4 101 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,1,0,0,0,0|1,0,2]=4 103 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,1,0,0,0,0|1,0,2]=4 105 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|1,0,1]=3 110 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.10 O=C(O[Na])C(=O)O[Na] HY-Y0262B [0,1,0,0,0,0|3,0,0]=4 113 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,1,0,0,0,0|0,0,2]=3 114 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,1,0,0,0,0|0,0,2]=3 115 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,1,0,0,0,0|0,0,2]=3 116 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,1,0,0,0,0|0,0,2]=3 119 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,0,0|1,0,2]=4 126 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,0,0|1,0,2]=4 128 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,0,0|1,0,2]=4 131 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,0,0|1,0,2]=4 132 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,0,0|1,0,2]=4 133 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.16 O=C([O-])C(=O)C(=O)[O-] HY-W540188A [0,1,0,0,0,0|2,0,1]=4 136 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,0,0|1,0,2]=4 138 B7R1.4 CC1=CNN=C1C HY-W019334 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|1,0,2]=4 142 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,0,0,1,0,0|1,0,2]=4 143 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,0,0,1,0,0|1,0,1]=3 144 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,0,0,1,0,0|1,0,1]=3 145 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,0,0,0,0,1|0,0,2]=3 146 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,0,0,0,0,1|0,0,2]=3 147 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,0,0,0,0,1|1,0,2]=4 148 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,0,0,0,0,1|1,0,2]=4 149 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [0,0,0,0,0,1|3,0,0]=4 150 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,0,0,0,0,1|3,0,0]=4 151 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|0,0,0]=2 152 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|0,0,0]=2 153 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|0,0,0]=2 154 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|0,0,0]=2 155 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|0,0,0]=2 156 B4R0.1 C=CC(N)=O HY-W115727 [2,0,0,0,0,0|1,0,0]=3 157 B4R0.1 C=CC(N)=O HY-W115727A [2,0,0,0,0,0|1,0,0]=3 158 B4R0.1 C=CC(N)=O HY-W115727B [2,0,0,0,0,0|1,0,0]=3 159 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,0]=3 160 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|2,0,0]=4 164 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.1 CC(C)=NO HY-W008840 [2,0,0,0,0,0|1,0,0]=3 166 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,0,2]=4 167 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|1,0,1]=4 171 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|1,0,1]=4 172 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.1 O=C(O)[Ba]O HY-Y0827 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 O=C(O)[Ca]O HY-W243408C [2,0,0,0,0,0|2,0,0]=4 176 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|1,0,0]=3 177 B4R0.1 O=C[Pb](=O)O HY-Y1877 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.1 O=[13C](O)O[Na] HY-W251598S [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|1,0,1]=4 180 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|0,0,2]=4 181 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,1,0,0,0,0|0,0,2]=4 182 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|0,0,2]=4 184 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|0,0,2]=4 185 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|0,0,2]=4 186 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|0,0,2]=4 187 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|1,0,1]=4 190 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|0,0,2]=4 191 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|0,0,2]=4 192 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|0,0,2]=4 193 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [1,1,0,0,0,0|2,0,0]=4 194 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|0,0,2]=4 196 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|0,0,2]=4 197 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|0,0,2]=4 198 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|0,0,0]=2 199 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|0,0,2]=4 200 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|0,0,0]=2 201 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|0,0,2]=4 202 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|0,0,2]=4 203 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|0,0,0]=2 204 B6R0.4 O=CNCC(=O)O HY-128735 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [1,1,0,0,0,0|0,0,1]=3 206 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [1,1,0,0,0,0|0,0,1]=3 207 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [1,1,0,0,0,0|1,0,1]=4 208 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,0,0,0,1|0,0,2]=4 209 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,0,0,0,1|0,0,2]=4 210 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,1,0,0,0,1|0,0,2]=4 211 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,1,0,0,0,1|0,0,2]=4 212 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,1,0,0,0,1|0,0,2]=4 213 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,1,0,0,0,1|0,0,2]=4 214 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [0,1,0,0,0,1|1,0,1]=4 215 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,0,0,0,1|1,0,1]=4 216 B8R0.16 CCN(CC)CC(=O)O HY-W051299 [0,1,0,0,0,1|1,0,1]=4 217 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,1,0,0,0,1|1,0,1]=4 218 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,1,0,0,0,1|2,0,0]=4 219 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520 [0,1,0,0,0,1|1,0,1]=4 220 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520R [0,1,0,0,0,1|1,0,1]=4 221 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,1,0,0,0,1|1,0,1]=4 222 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388R [0,1,0,0,0,1|2,0,0]=4 224 B8R0.23 CN(CC(=O)O)C(=N)N HY-W017462 [0,1,0,0,0,1|2,0,0]=4 225 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,1,0,0,0,1|1,0,0]=3 226 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,1,0,0,0,1|1,0,0]=3 227 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382 [0,1,0,0,0,1|2,0,0]=4 228 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382R [0,1,0,0,0,1|2,0,0]=4 229 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,2,0,0,0,0|0,0,2]=4 231 B8R0.36 CCC(O)(CC)C(=O)O HY-142105 [0,2,0,0,0,0|0,0,2]=4 232 B8R0.37 CC(C)(C(=O)O)C(=O)O HY-W007894 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,2,0,0,0,0|1,0,1]=4 234 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,2,0,0,0,0|0,0,2]=4 235 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,2,0,0,0,0|0,0,2]=4 236 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,2,0,0,0,0|0,0,2]=4 237 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|1,0,0]=3 238 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|0,0,0]=2 239 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|0,0,2]=4 240 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,0,0,1,0,1|1,0,0]=3 241 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [0,0,0,1,0,1|1,1,0]=4 242 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,0,1|1,0,1]=4 243 B8R1.5 CC1=NC=CC=C1O HY-W002339 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [0,1,0,1,0,0|0,0,2]=4 245 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,1,0,0|0,0,0]=2 247 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [0,1,0,1,0,0|0,0,2]=4 249 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,1,0,0|0,0,2]=4 253 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [0,1,0,1,0,0|0,0,2]=4 255 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,1,0,0|0,0,2]=4 258 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.7 OB(O)C1=CCCC1 HY-W000981 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [0,1,0,1,0,0|0,0,2]=4 264 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.50 CC1=NOC(N)=C1Cl HY-70065 [0,1,0,1,0,0|2,0,0]=4 266 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,0,0,0,0,2|1,0,1]=4 267 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,0,0,0,0,2|2,0,0]=4