0 B5R0.3 CCC(=O)CO HY-W005327 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.3 CCC(=O)O[Na] HY-B1773A [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 COC(=O)CN HY-Y1789 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 NCC(=O)O[Na] HY-W015946 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 NCC(O)CO HY-W002040 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.3 NC[C@@H](O)CCl HY-W108649 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 O=C(CI)O[Na] HY-D0849 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 O=C(CO)CO HY-Y0335 [0,0,0,0,0,0|0,0,0]=0 9 B5R0.3 O=C(CO)O[Na] HY-W088011B [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 O=C(CS)O[Na] HY-W115724 [0,0,0,0,0,0|2,1,0]=3 11 B5R0.3 O=CC(O)CO HY-128748 [0,0,0,0,0,0|0,0,4]=4 12 B5R0.3 O=C[C@@H](O)CO HY-W008504 [0,0,0,0,0,0|0,0,4]=4 13 B5R0.3 OC(CBr)CBr HY-W014092 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 OCC(O)CO HY-B1659 [0,0,0,0,0,0|0,0,2]=2 15 B5R0.3 OCC(O)CO HY-B1659R [0,0,0,0,0,0|0,0,2]=2 16 B5R0.3 OCC(S)CS HY-B1285 [0,0,0,0,0,0|0,2,1]=3 17 B4R0.1 C=CC(=O)O HY-W243303A [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 C=CC(=O)O HY-W243303C [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 C=CC(=O)O HY-W243303D [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 C=CC(=O)O HY-W243303E [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 C=CC(=O)O HY-W243303O [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 C=CC(N)=O HY-W115727 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C=CC(N)=O HY-W115727A [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C=CC(N)=O HY-W115727B [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|0,0,2]=3 26 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|0,0,0]=1 27 B4R0.1 CC(=O)NBr HY-131899 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|1,0,0]=2 29 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|0,0,2]=3 34 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 COC(N)=O HY-Y1401 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.1 NC(=O)CBr HY-W007330 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 NC(=O)CCl HY-W010629 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 NC(=O)CI HY-34477 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 NC(=O)NO HY-B0313 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 NC(=O)NO HY-B0313R [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 NCC(=O)O HY-Y0966 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 NCC(=O)O HY-Y0966R [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 NCC(N)=O HY-Y1123 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 NC[13C](=O)O HY-Y0966S4 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 NNC(N)=O HY-Y0470 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 O=C(O)CO HY-W015967 [1,0,0,0,0,0|0,0,0]=1 52 B4R0.1 O=C(O)[Ba]O HY-Y0827 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.1 O=C(O)[Ca]O HY-W243408C [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 O=C([Zn])OO HY-B1818 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 O=CC(=O)O HY-79494 [1,0,0,0,0,0|0,0,2]=3 56 B4R0.1 O=C[Pb](=O)O HY-Y1877 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 O=P(=O)OO HY-B2243 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 O=P(=O)OO HY-B2243A [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 O=P(=O)OO HY-B2243B [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 O=P(=O)OO HY-B2243D [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 O=P(=O)OO HY-W094497 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 O=P(=O)OO HY-Y0332B [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 O=P(=O)OO HY-Y0332K [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 O=[13C](O)O[Na] HY-W251598S [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 O=[N+]([O-])CBr HY-131120 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 O=[Si](O)[Ca]O HY-W094349A [1,0,0,0,0,0|1,1,0]=3 67 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [1,0,0,0,0,0|1,0,0]=2 68 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.2 BrCCCBr HY-Y1806 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 C#CCCO HY-W001947 [1,0,0,0,0,0|1,0,2]=4 71 B4R0.2 CNCCO HY-Y1783 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 COCCO HY-139415 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 NCCCO HY-Y0139 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|0,0,3]=4 75 B4R0.2 OCCCBr HY-W007337 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.2 OCCCO HY-W017758 [1,0,0,0,0,0|0,0,1]=2 77 B4R0.2 OCCCS HY-W090210 [1,0,0,0,0,0|0,1,1]=3 78 B6R0.1 C=CCC(=O)OC HY-W105369 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,1,0,0,0,0|3,0,0]=4 80 B6R0.1 CCOC(=O)CN HY-76204 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.1 COC(=O)CCN HY-W007648 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.1 COC(=O)CCO HY-42569 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.1 COC(=O)OCCl HY-43384 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.1 N#CCC(=O)NN HY-B0994 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,1,0,0,0,0|2,0,0]=3 86 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|3,0,0]=4 87 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CC(CO)C(=O)O HY-113126 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [0,1,0,0,0,0|2,0,0]=3 90 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,1,0,0,0,0|1,0,1]=3 92 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.3 COC(=O)C(C)N HY-W010324 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [0,1,0,0,0,0|2,0,0]=3 99 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,1,0,0,0,0|1,0,2]=4 101 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,1,0,0,0,0|1,0,2]=4 103 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.3 O=C(CBr)C(Br)Br HY-133624 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,1,0,0,0,0|0,0,3]=4 109 B6R0.3 O=C(O[Na])C(Cl)Cl HY-Y0445A [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.8 CC(N)(CO)CO HY-W017054 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.9 CCN(CC)N=O HY-N7434 [0,1,0,0,0,0|3,0,0]=4 116 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,1,0,0|1,0,0]=2 118 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,1,0,0|1,1,0]=3 119 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,1,0,0|1,0,2]=4 120 B6R1.6 OCC1CNC1 HY-21336 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.6 OCC1COC1 HY-W004925 [0,0,0,1,0,0|1,0,1]=3 122 B3R0.1 C(=O)ON HY-Y0488A [2,0,0,0,0,0|2,0,0]=4 123 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|1,0,0]=3 124 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,1,0]=4 125 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|0,0,0]=2 126 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|0,0,0]=2 127 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|0,0,0]=2 128 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|0,0,0]=2 129 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|0,0,0]=2 130 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|0,0,0]=2 131 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|0,0,0]=2 132 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|0,0,0]=2 133 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|0,0,0]=2 134 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|0,0,0]=2 135 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|0,0,0]=2 136 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|0,0,0]=2 137 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|0,0,0]=2 138 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|0,0,0]=2 139 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|0,0,0]=2 140 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|0,0,0]=2 141 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|0,0,0]=2 142 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|0,0,0]=2 143 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|0,0,0]=2 144 B3R0.2 CB(O)O HY-34449 [2,0,0,0,0,0|1,0,1]=4 145 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|0,0,0]=2 146 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|0,0,0]=2 147 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|0,0,0]=2 148 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|0,0,0]=2 149 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|0,0,0]=2 150 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,0,2]=4 151 B3R0.2 CC(N)=O HY-Y0946 [2,0,0,0,0,0|1,0,0]=3 152 B3R0.2 CC(N)=S HY-Y0698 [2,0,0,0,0,0|1,1,0]=4 153 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|2,0,0]=4 154 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|2,0,0]=4 155 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,0,0]=3 156 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|0,0,0]=2 157 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|2,0,0]=4 158 B3R0.2 NC(N)=O HY-Y0271 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.2 NC(N)=O HY-Y0271R [2,0,0,0,0,0|2,0,0]=4 160 B3R0.2 N[13C](N)=O HY-118877 [2,0,0,0,0,0|2,0,0]=4 161 B3R0.2 O=[13C]([O-])O HY-Y0287AS [2,0,0,0,0,0|0,0,1]=3 162 B3R0.2 O[AlH3](O)O HY-B1521 [2,0,0,0,0,0|1,0,1]=4 163 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [2,0,0,0,0,0|2,0,0]=4 165 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.1 C#CCC(=O)O HY-W004784 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.1 C=CCC(=O)O HY-W068697 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.1 CC(=O)CCO HY-W051287 [1,1,0,0,0,0|0,0,0]=2 169 B5R0.1 CC(=O)NCO HY-W024564 [1,1,0,0,0,0|0,0,0]=2 170 B5R0.1 CC(C)=CCO HY-W013035 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.1 CC(O)CCO HY-77490A [1,1,0,0,0,0|0,0,2]=4 172 B5R0.1 CCCC(N)=O HY-W088319 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.1 CCOC(N)=O HY-B1207 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.1 CCOC(N)=O HY-B1207R [1,1,0,0,0,0|2,0,0]=4 175 B5R0.1 CNCC(=O)O HY-101037 [1,1,0,0,0,0|1,0,0]=3 176 B5R0.1 CNCC(=O)O HY-101037R [1,1,0,0,0,0|1,0,0]=3 177 B5R0.1 COCC(=O)O HY-Y1009 [1,1,0,0,0,0|0,0,0]=2 178 B5R0.1 C[C@@H](O)CCO HY-77490 [1,1,0,0,0,0|0,0,2]=4 179 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.1 NCCC(=O)O HY-N0230 [1,1,0,0,0,0|1,0,0]=3 181 B5R0.1 NCCS(=O)O HY-100803 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.1 NOCC(=O)O HY-107994 [1,1,0,0,0,0|0,0,0]=2 183 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|1,0,1]=4 185 B5R0.4 O=P(O)([CaH])OO HY-B2242 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.4 O=S(O)(=[Ba])OO HY-B0560B [1,1,0,0,0,0|2,0,0]=4 187 B5R0.4 O=S(O)(=[Ca])OO HY-W019901B [1,1,0,0,0,0|2,0,0]=4 188 B5R0.4 O=S(O)(=[Mg])OO HY-Y1267 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.4 O=S(O)(=[Mg])OO HY-Y1267D [1,1,0,0,0,0|2,0,0]=4 190 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,1,0,0,0,0|0,0,1]=3 191 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,1,0,0,0,0|0,0,1]=3 192 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,1,0,0,0,0|0,0,1]=3 194 B5R0.5 CC(N)C(=O)O HY-N2362 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.5 CC(O)C(=O)O HY-B1530 [1,1,0,0,0,0|0,0,0]=2 196 B5R0.5 CC(O)C(=O)O HY-B2227 [1,1,0,0,0,0|0,0,0]=2 197 B5R0.5 CC(O)C(=O)O HY-B2227D [1,1,0,0,0,0|0,0,0]=2 198 B5R0.5 CC(O)C(=O)O HY-B2227R [1,1,0,0,0,0|0,0,0]=2 199 B5R0.5 CC(O)C(=O)O HY-W250313 [1,1,0,0,0,0|0,0,0]=2 200 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,1,0,0,0,0|0,0,1]=3 201 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,1,0,0,0,0|0,0,1]=3 202 B5R0.5 CC(O)C(C)O HY-128387 [1,1,0,0,0,0|0,0,2]=4 203 B5R0.5 CC(O)C(C)O HY-128387R [1,1,0,0,0,0|0,0,2]=4 204 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [1,1,0,0,0,0|0,0,2]=4 205 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,1,0,0,0,0|1,0,0]=3 207 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,1,0,0,0,0|0,0,0]=2 208 B5R0.5 NC(=O)C(=O)O HY-W013032 [1,1,0,0,0,0|0,0,2]=4 209 B5R0.5 NC(=O)C(Br)Br HY-133665 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.5 O=C(O)C(=O)O HY-W041831 [1,1,0,0,0,0|0,0,1]=3 211 B5R0.5 O=C(O)C(=O)O HY-Y0262 [1,1,0,0,0,0|0,0,1]=3 212 B5R0.5 O=C(O)C(=O)O HY-Y0262A [1,1,0,0,0,0|0,0,1]=3 213 B5R0.5 O=C(O)C(=O)O HY-Y1297 [1,1,0,0,0,0|0,0,1]=3 214 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,1,0,0,0,0|1,0,0]=3 215 B5R0.5 O=C(O)C(O)O HY-W019724 [1,1,0,0,0,0|0,0,0]=2 216 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.2 C#CCCCO HY-W010642 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.2 CC\C=C/CO HY-W030347 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.2 NCCCCO HY-W002041 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 OC\C=C/CO HY-W027631 [1,1,0,0,0,0|0,0,0]=2 221 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,2,0,0,0,0|2,0,0]=4 236 B7R0.10 NC(CO)C(=O)NO HY-131894 [0,2,0,0,0,0|1,0,0]=3 237 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,2,0,0,0,0|0,0,0]=2 238 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,2,0,0,0,0|0,1,1]=4 239 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [0,2,0,0,0,0|0,0,2]=4 240 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551 [0,2,0,0,0,0|0,0,2]=4 241 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551R [0,2,0,0,0,0|0,0,2]=4 242 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.10 [C@@H](O)(CO)[C@H](O)CO HY-W012846 [0,2,0,0,0,0|0,0,2]=4 244 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.18 NC(CO)(CO)CO HY-D0227 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.18 NC(CO)(CO)CO HY-D0227A [0,2,0,0,0,0|0,0,2]=4 247 B7R0.18 NC(CO)(CO)CO HY-D0227B [0,2,0,0,0,0|0,0,2]=4 248 B7R0.18 NC(CO)(CO)CO HY-D0227F [0,2,0,0,0,0|0,0,2]=4 249 B7R0.18 NC(CO)(CO)CO HY-D0227J [0,2,0,0,0,0|0,0,2]=4 250 B7R0.18 NC(CO)(CO)CO HY-W393372 [0,2,0,0,0,0|0,0,2]=4 251 B5R1.2 IC1COC1 HY-W016306 [1,0,0,1,0,0|1,0,1]=4 252 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,1,0,0|1,0,0]=3 253 B5R1.2 O=C1COC1 HY-76440 [1,0,0,1,0,0|0,0,0]=2 254 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|0,0,2]=4 255 B7R1.1 OCC1=COC=C1 HY-W007708 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.3 O=C1CCCCN1 HY-W042193 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.3 O=C1CCCCO1 HY-W012997 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.3 O=C1CCOCC1 HY-76487 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.3 O=C1CCSCC1 HY-W002007 [0,1,0,1,0,0|1,1,0]=4 263 B7R1.3 O=C1CNCCN1 HY-20128 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,1,0,1,0,0|2,0,0]=4 267 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,1,0,0|2,0,0]=4 268 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,1,0,0|2,0,0]=4