0 B5R0.1 C#CCC(=O)O HY-W004784 [0,0,0,0,0,0|0,0,3]=3 1 B5R0.1 C=CCC(=O)O HY-W068697 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.1 CC(=O)CCO HY-W051287 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(=O)NCO HY-W024564 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(C)=CC=O HY-34409 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 CC(C)=CCO HY-W013035 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CCCB(O)O HY-W007470 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.1 CCCC(N)=O HY-W088319 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CCOC(N)=O HY-B1207 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CCOC(N)=O HY-B1207R [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CCSC(=N)N HY-101252 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CNCC(=O)O HY-101037 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CNCC(=O)O HY-101037R [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 COCC(=O)O HY-Y1009 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,0,0,0,0,0|0,0,0]=0 15 B5R0.1 NCCC(=O)O HY-N0230 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.1 NCCS(=O)O HY-100803 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 NOCC(=O)O HY-107994 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 C=CC(=O)O HY-W243303A [1,0,0,0,0,0|0,0,0]=1 19 B4R0.1 C=CC(=O)O HY-W243303C [1,0,0,0,0,0|0,0,0]=1 20 B4R0.1 C=CC(=O)O HY-W243303D [1,0,0,0,0,0|0,0,0]=1 21 B4R0.1 C=CC(=O)O HY-W243303E [1,0,0,0,0,0|0,0,0]=1 22 B4R0.1 C=CC(=O)O HY-W243303O [1,0,0,0,0,0|0,0,0]=1 23 B4R0.1 C=CC(N)=O HY-W115727 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 C=CC(N)=O HY-W115727A [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 C=CC(N)=O HY-W115727B [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(=O)NBr HY-131899 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 CNC(=N)N HY-W005028 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 COC(N)=O HY-Y1401 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 NC(=O)CBr HY-W007330 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 NC(=O)CCl HY-W010629 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 NC(=O)CI HY-34477 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 NC(=O)NO HY-B0313 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 NC(=O)NO HY-B0313R [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 NCC(=O)O HY-Y0966 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 NCC(=O)O HY-Y0966R [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 NCC(N)=O HY-Y1123 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 NC[13C](=O)O HY-Y0966S4 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 NNC(N)=O HY-Y0470 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 O=C(O)CO HY-W015967 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 O=C(O)[Ba]O HY-Y0827 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 O=C(O)[Ca]O HY-W243408C [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 O=C([Zn])OO HY-B1818 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 O=CC(=O)O HY-79494 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 O=C[Pb](=O)O HY-Y1877 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 O=[13C](O)O[Na] HY-W251598S [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 O=[Si](O)[Ca]O HY-W094349A [1,0,0,0,0,0|2,1,0]=4 55 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.2 C=CCSC HY-128447 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 CNCCO HY-Y1783 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.2 COCCO HY-139415 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.2 O=COO[K] HY-Y1220D [1,0,0,0,0,0|3,0,0]=4 62 B4R0.2 O=COO[K] HY-Y1220J [1,0,0,0,0,0|3,0,0]=4 63 B4R0.2 O=COO[Na] HY-ER013C [1,0,0,0,0,0|3,0,0]=4 64 B4R0.2 O=COO[Na] HY-W251598B [1,0,0,0,0,0|3,0,0]=4 65 B4R0.2 O=COO[Na] HY-W251598C [1,0,0,0,0,0|3,0,0]=4 66 B6R0.1 C=CCC(=O)OC HY-W105369 [0,1,0,0,0,0|0,0,2]=3 67 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,1,0,0,0,0|0,0,2]=3 68 B6R0.1 CCOC(=O)CN HY-76204 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 COC(=O)CCN HY-W007648 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.1 COC(=O)CCO HY-42569 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.1 COC(=O)OCCl HY-43384 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,1,0,0,0,0|1,0,2]=4 73 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,1,0,0,0,0|0,0,2]=3 75 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,1,0,0,0,0|0,0,2]=3 77 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,1,0,0,0,0|0,0,2]=3 78 B6R0.2 CC(O)CC(=O)O HY-113378 [0,1,0,0,0,0|0,0,2]=3 79 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,1,0,0,0,0|1,0,1]=3 82 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,1,0,0,0,0|0,0,2]=3 83 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,1,0,0,0,0|0,0,2]=3 84 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,1,0,0,0,0|0,0,2]=3 85 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,1,0,0,0,0|2,0,0]=3 86 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,1,0,0,0,0|1,0,2]=4 93 B6R0.3 CC(CO)C(=O)O HY-113126 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,1,0,0,0,0|0,0,1]=2 95 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,1,0,0,0,0|0,0,1]=2 96 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,1,0,0,0,0|0,0,2]=3 98 B6R0.3 CCC(O)C(=O)O HY-113381 [0,1,0,0,0,0|0,0,2]=3 99 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,1,0,0,0,0|0,0,2]=3 100 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,1,0,0,0,0|0,0,2]=3 102 B6R0.3 CON(C)C(C)=O HY-W001095 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,1,0,0,0,0|0,0,0]=1 106 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [0,1,0,0,0,0|3,0,0]=4 107 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,1,0,0,0,0|1,0,2]=4 111 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,1,0,0,0,0|1,0,2]=4 114 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,1,0,0,0,0|1,0,2]=4 115 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,1,0,0,0,0|1,0,2]=4 117 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,1,0,0,0,0|1,0,2]=4 120 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,1,0,0,0,0|1,0,2]=4 121 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,1,0,0,0,0|1,0,2]=4 122 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,1,0,0,0,0|1,0,2]=4 123 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,1,0,0,0,0|1,0,2]=4 125 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,1,0,0,0,0|1,0,2]=4 126 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,1,0,0,0,0|1,0,2]=4 127 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,1,0,0,0,0|1,0,1]=3 129 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,1,0,0,0,0|1,0,2]=4 131 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,1,0,0,0,0|1,0,1]=3 132 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,1,0,0,0,0|0,0,2]=3 133 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.4 C=CCCC(=O)O HY-Y0624 [0,1,0,0,0,0|0,0,2]=3 135 B6R0.4 CCCCC(N)=O HY-W144037 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.4 CCNCC(=O)O HY-W141879 [0,1,0,0,0,0|0,0,2]=3 137 B6R0.4 CCOCC(=O)O HY-W027555 [0,1,0,0,0,0|0,0,2]=3 138 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,1,0,0,0,0|0,0,0]=1 139 B6R0.4 CSCCC(=O)O HY-101401 [0,1,0,0,0,0|0,0,2]=3 140 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,1,0,0,0,0|0,0,0]=1 141 B6R0.4 NCCCC(=O)O HY-N0067 [0,1,0,0,0,0|0,0,2]=3 142 B6R0.4 NCCCC(=O)O HY-N0067R [0,1,0,0,0,0|0,0,2]=3 143 B6R0.4 NC\C=C\C(=O)O HY-100800 [0,1,0,0,0,0|0,0,0]=1 144 B6R0.4 O=CNCC(=O)O HY-128735 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [0,1,0,0,0,0|2,0,1]=4 146 B6R1.2 BrC1=CSC=C1 HY-59299 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.2 CC1=CC=CS1 HY-W010615 [0,0,0,1,0,0|1,1,1]=4 148 B6R1.2 CC1=NNC=C1 HY-66054 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.2 NC1=NOC=C1 HY-W007329 [0,0,0,1,0,0|3,0,0]=4 150 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,1,0,0|0,0,0]=1 152 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.2 O=C1NCCN1 HY-W031536 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.11 NC(=O)C1CO1 HY-119329 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.11 O=C(O)C1CC1 HY-Y0001 [0,0,0,1,0,0|0,0,2]=3 157 B3R0.1 C(=O)ON HY-Y0488A [2,0,0,0,0,0|2,0,0]=4 158 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|1,0,1]=4 159 B3R0.2 CB(O)O HY-34449 [2,0,0,0,0,0|1,0,1]=4 160 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|0,0,0]=2 161 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|0,0,0]=2 162 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|0,0,0]=2 163 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|0,0,0]=2 164 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|0,0,0]=2 165 B3R0.2 CC(N)=O HY-Y0946 [2,0,0,0,0,0|1,0,0]=3 166 B3R0.2 CC(N)=S HY-Y0698 [2,0,0,0,0,0|1,1,0]=4 167 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|2,0,0]=4 168 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|0,0,0]=2 169 B3R0.2 NC(N)=O HY-Y0271 [2,0,0,0,0,0|2,0,0]=4 170 B3R0.2 NC(N)=O HY-Y0271R [2,0,0,0,0,0|2,0,0]=4 171 B3R0.2 N[13C](N)=O HY-118877 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.2 O=[13C]([O-])O HY-Y0287AS [2,0,0,0,0,0|1,0,0]=3 173 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [2,0,0,0,0,0|2,0,0]=4 174 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.3 CCC(=O)CO HY-W005327 [1,1,0,0,0,0|0,0,1]=3 176 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,1,0,0,0,0|0,0,1]=3 177 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,1,0,0,0,0|0,0,1]=3 178 B5R0.3 COC(=O)CN HY-Y1789 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.3 NCC(=O)O[Na] HY-W015946 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.3 O=C(CI)O[Na] HY-D0849 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.3 O=C(CO)CO HY-Y0335 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,1,0,0,0,0|1,0,1]=4 183 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,1,0,0,0,0|0,0,0]=2 186 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,1,0,0,0,0|0,0,0]=2 187 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,1,0,0,0,0|0,0,0]=2 189 B5R0.5 CC(N)C(=O)O HY-N2362 [1,1,0,0,0,0|0,0,1]=3 190 B5R0.5 CC(O)C(=O)O HY-B1530 [1,1,0,0,0,0|0,0,1]=3 191 B5R0.5 CC(O)C(=O)O HY-B2227 [1,1,0,0,0,0|0,0,1]=3 192 B5R0.5 CC(O)C(=O)O HY-B2227D [1,1,0,0,0,0|0,0,1]=3 193 B5R0.5 CC(O)C(=O)O HY-B2227R [1,1,0,0,0,0|0,0,1]=3 194 B5R0.5 CC(O)C(=O)O HY-W250313 [1,1,0,0,0,0|0,0,1]=3 195 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,1,0,0,0,0|0,0,2]=4 196 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,1,0,0,0,0|0,0,2]=4 197 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,1,0,0,0,0|0,0,1]=3 198 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,1,0,0,0,0|0,0,1]=3 199 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,1,0,0,0,0|0,0,1]=3 200 B5R0.5 N=C(N)S(=O)O HY-W015915 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.5 NC(=O)C(=O)O HY-W013032 [1,1,0,0,0,0|1,0,0]=3 202 B5R0.5 O=C(O)C(=O)O HY-W041831 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.5 O=C(O)C(=O)O HY-Y0262 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.5 O=C(O)C(=O)O HY-Y0262A [1,1,0,0,0,0|1,0,0]=3 205 B5R0.5 O=C(O)C(=O)O HY-Y1297 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.5 O=C(O)C(O)O HY-W019724 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.2 CC\C=C/CO HY-W030347 [1,1,0,0,0,0|0,0,1]=3 210 B5R0.2 CC\C=C\C=O HY-W111375 [1,1,0,0,0,0|0,0,0]=2 211 B5R0.2 OC\C=C/CO HY-W027631 [1,1,0,0,0,0|0,0,1]=3 212 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,2,0,0,0,0|0,0,1]=3 213 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,2,0,0,0,0|0,0,2]=4 214 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,2,0,0,0,0|0,0,2]=4 216 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,2,0,0,0,0|0,0,2]=4 217 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [0,2,0,0,0,0|1,0,1]=4 218 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,2,0,0,0,0|0,0,1]=3 219 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,2,0,0,0,0|0,0,2]=4 225 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,2,0,0,0,0|0,0,1]=3 226 B7R0.3 COC(=O)CCCBr HY-W004701 [0,2,0,0,0,0|0,0,2]=4 227 B7R0.3 COC(=O)CCCN HY-79594 [0,2,0,0,0,0|0,0,2]=4 228 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,2,0,0,0,0|0,0,0]=2 229 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,2,0,0,0,0|0,0,2]=4 231 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,2,0,0,0,0|0,0,2]=4 232 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,2,0,0,0,0|0,0,1]=3 233 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,2,0,0,0,0|0,0,2]=4 236 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,2,0,0,0,0|0,0,0]=2 239 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,2,0,0,0,0|0,0,2]=4 240 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,2,0,0,0,0|0,0,2]=4 241 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,2,0,0,0,0|0,0,2]=4 242 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,2,0,0,0,0|0,0,2]=4 243 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,2,0,0,0,0|0,0,2]=4 244 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,2,0,0,0,0|0,0,2]=4 245 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,2,0,0,0,0|0,0,2]=4 246 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,2,0,0,0,0|0,0,2]=4 247 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,2,0,0,0,0|0,0,2]=4 248 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,2,0,0,0,0|0,0,2]=4 249 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,2,0,0,0,0|0,0,2]=4 250 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,2,0,0,0,0|0,0,2]=4 251 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,2,0,0,0,0|0,0,2]=4 252 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,2,0,0,0,0|0,0,2]=4 253 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,2,0,0,0,0|0,0,1]=3 255 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,2,0,0,0,0|0,0,2]=4 256 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.10 O=C(O[Na])C(=O)O[Na] HY-Y0262B [0,2,0,0,0,0|2,0,0]=4 258 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,2,0,0,0,0|0,0,2]=4 259 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,2,0,0,0,0|0,0,1]=3 262 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,2,0,0,0,0|0,0,2]=4 263 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,2,0,0,0,0|0,0,2]=4 264 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,2,0,0,0,0|0,0,2]=4 265 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,2,0,0,0,0|0,0,2]=4 266 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,2,0,0,0,0|0,0,2]=4 267 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,2,0,0,0,0|0,0,2]=4 268 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,2,0,0,0,0|0,0,2]=4 269 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,2,0,0,0,0|0,0,2]=4 270 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,2,0,0,0,0|0,0,2]=4 271 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,2,0,0,0,0|0,0,2]=4 272 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.16 O=C([O-])C(=O)C(=O)[O-] HY-W540188A [0,2,0,0,0,0|1,0,1]=4 275 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,2,0,0,0,0|0,0,2]=4 276 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,2,0,0,0,0|0,0,2]=4 277 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,2,0,0,0,0|0,0,2]=4 278 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,2,0,0,0,0|0,0,2]=4 279 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,2,0,0,0,0|0,0,2]=4 280 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,2,0,0,0,0|0,0,2]=4 282 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,2,0,0,0,0|0,0,2]=4 284 B7R0.4 C#CCNCC(=O)O HY-142035 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,2,0,0,0,0|0,0,0]=2 286 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,2,0,0,0,0|0,0,0]=2 287 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,2,0,0,0,0|0,0,0]=2 288 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,2,0,0,0,0|0,0,0]=2 289 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,2,0,0,0,0|0,0,1]=3 290 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,2,0,0,0,0|0,0,1]=3 291 B7R0.4 NCCCCC(=O)O HY-W015878 [0,2,0,0,0,0|0,0,2]=4 292 B7R0.4 NCCOCC(=O)O HY-140643 [0,2,0,0,0,0|0,0,2]=4 293 B7R0.4 NCCOCC(=O)O HY-140644 [0,2,0,0,0,0|0,0,2]=4 294 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,2,0,0,0,0|0,0,2]=4 295 B7R0.4 O=C(O)COCCBr HY-130163 [0,2,0,0,0,0|0,0,2]=4 296 B7R0.4 O=C(O)COCCS HY-140730 [0,2,0,0,0,0|0,0,2]=4 297 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,2,0,0,0,0|0,0,1]=3 298 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,2,0,0,0,0|0,0,1]=3 299 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,2,0,0,0,0|0,0,1]=3 300 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,2,0,0,0,0|0,0,2]=4 302 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,2,0,0,0,0|0,0,2]=4 303 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,2,0,0,0,0|0,0,1]=3 305 B7R0.6 O=C(O)C#CC(=O)O HY-W094710 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,2,0,0,0,0|1,0,1]=4 308 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,2,0,0,0,0|0,0,1]=3 309 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,2,0,0,0,0|0,0,1]=3 310 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,2,0,0,0,0|0,0,1]=3 311 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HY-B1651 [0,2,0,0,0,0|0,0,2]=4 312 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,2,0,0,0,0|1,0,1]=4 313 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,1,0,0|0,0,1]=3 314 B5R1.1 C1=CNN=C1 HY-76228 [1,0,0,1,0,0|2,0,0]=4 315 B5R1.1 C1=COC=N1 HY-34631 [1,0,0,1,0,0|1,0,1]=4 316 B5R1.1 C1=CON=C1 HY-W010649 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.1 O=CC1=CC=CS1 HY-W012941 [0,1,0,1,0,0|0,1,1]=4 318 B7R1.1 O=CC1=CNC=C1 HY-59307 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.1 OCC1=CC=CS1 HY-34751 [0,1,0,1,0,0|0,1,1]=4 320 B7R1.1 OCC1=COC=C1 HY-W007708 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,1,0,0|1,0,0]=3 322 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,1,0,1,0,0|1,0,0]=3 324 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,1,0,0|0,0,0]=2 325 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [0,1,0,1,0,0|1,1,0]=4 326 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,1,0,0|0,0,2]=4 328 B7R1.2 CN1C=CC(N)=N1 HY-76189 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,1,0,1,0,0|1,1,0]=4 334 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.3 O=C1CCCCO1 HY-W012997 [0,1,0,1,0,0|0,0,2]=4 337 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.4 CN1SC=CC1=O HY-W010243 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.4 CN1SC=CC1=O HY-W010520 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,1,0,0|0,0,2]=4 341 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,1,0,1,0,0|0,0,2]=4 342 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,1,0,1,0,0|0,0,2]=4 343 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,1,0,1,0,0|0,0,2]=4 344 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,1,0,1,0,0|0,0,2]=4