0 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CCOC(=O)CN HY-76204 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 COC(=O)CCN HY-W007648 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 COC(=O)CCO HY-42569 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 COC(=O)OCCl HY-43384 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,0,0,0,0,0|4,0,0]=4 6 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 CCSC(=N)N HY-101252 [1,0,0,0,0,0|2,1,0]=4 12 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,0,0,0,0,0|2,0,0]=3 21 B5R0.3 CCC(C)C=O HY-W020678 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,0,0,0,0,0|2,0,0]=3 23 B5R0.3 COC(=O)CN HY-Y1789 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.3 NCC(=O)O[Na] HY-W015946 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 O=C(CI)O[Na] HY-D0849 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.3 O=C(CO)CO HY-Y0335 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.3 CCCCC(=O)NN HY-W012890 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.3 COC(=O)CCCBr HY-W004701 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.3 COC(=O)CCCN HY-79594 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|0,0,1]=2 39 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,1,0,0,0,0|0,0,2]=3 41 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,1,0,0,0,0|0,0,2]=3 42 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,1,0,0,0,0|0,0,2]=3 44 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,0|0,0,2]=3 47 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|0,0,2]=3 49 B7R1.2 CN1C=CC(N)=N1 HY-76189 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|1,0,0]=2 53 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,1,0,0|0,0,2]=3 55 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 NC1CCSC1=O HY-101404 [0,0,0,1,0,0|1,1,1]=4 59 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|1,1,1]=4 60 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|1,0,1]=3 61 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|0,0,0]=2 62 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|0,0,0]=2 63 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|0,0,0]=2 64 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|0,0,0]=2 65 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|0,0,0]=2 66 B4R0.1 C=CC(N)=O HY-W115727 [2,0,0,0,0,0|1,0,0]=3 67 B4R0.1 C=CC(N)=O HY-W115727A [2,0,0,0,0,0|1,0,0]=3 68 B4R0.1 C=CC(N)=O HY-W115727B [2,0,0,0,0,0|1,0,0]=3 69 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,0]=3 70 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|1,0,1]=4 74 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|1,0,1]=4 81 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 O=C(O)[Ba]O HY-Y0827 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 O=C(O)[Ca]O HY-W243408C [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 O=C([Zn])OO HY-B1818 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.1 O=C[Pb](=O)O HY-Y1877 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 O=[13C](O)O[Na] HY-W251598S [2,0,0,0,0,0|2,0,0]=4 92 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|1,0,1]=4 93 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [2,0,0,0,0,0|2,0,0]=4 94 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 95 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|0,1,1]=4 96 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.2 O=COO[K] HY-Y1220D [2,0,0,0,0,0|2,0,0]=4 98 B4R0.2 O=COO[K] HY-Y1220J [2,0,0,0,0,0|2,0,0]=4 99 B4R0.2 O=COO[Na] HY-ER013C [2,0,0,0,0,0|2,0,0]=4 100 B4R0.2 O=COO[Na] HY-W251598B [2,0,0,0,0,0|2,0,0]=4 101 B4R0.2 O=COO[Na] HY-W251598C [2,0,0,0,0,0|2,0,0]=4 102 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,1,0,0,0,0|2,0,0]=4 112 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|1,0,1]=4 113 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.3 CCC(O)C(=O)O HY-113381 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.4 CCCCC(N)=O HY-W144037 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|2,0,0]=4 126 B6R0.5 CCOS(C)(=O)=O HY-W015854 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.6 C(CO)=CCCC HY-W015936 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.6 C=CCCCCO HY-W012995 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.6 CCC\C=C\C=O HY-128429 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,1,0,0,0,0|2,0,0]=4 131 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,2,0,0,0,0|2,0,0]=4 132 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,2,0,0,0,0|2,0,0]=4 133 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,2,0,0,0,0|0,0,0]=2 134 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,2,0,0,0,0|0,0,1]=3 135 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|0,0,1]=3 136 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,2,0,0,0,0|0,0,2]=4 137 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,2,0,0,0,0|0,0,2]=4 138 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,2,0,0,0,0|0,0,2]=4 139 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,2,0,0,0,0|1,0,1]=4 140 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,2,0,0,0,0|2,0,0]=4 142 B8R0.24 CC(C)(C)OC(=O)CN HY-75331 [0,2,0,0,0,0|1,0,1]=4 143 B8R0.24 CC(C)(C)OC(=O)CN HY-W007408 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.24 CC(C)(C)OC(=O)NN HY-Y0373 [0,2,0,0,0,0|2,0,0]=4 145 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,2,0,0,0,0|0,0,2]=4 146 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,2,0,0,0,0|0,0,1]=3 147 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|1,0,1]=4 148 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,2,0,0,0,0|0,0,2]=4 149 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|0,0,2]=4 150 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,2,0,0,0,0|0,0,0]=2 151 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|1,0,1]=4 152 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|0,0,1]=3 153 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,1,0,0|2,0,0]=4 154 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,1,0,0|0,0,1]=3 156 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,1,0,0|0,1,1]=4 157 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,1,0,0|0,0,2]=4 158 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|0,0,2]=4 159 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,1,0,0|1,0,1]=4 164 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,1,0,0|0,0,2]=4 169 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,1,0,0|0,0,2]=4 170 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,1,0,1,0,0|1,0,0]=3