0 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,0,0|0,0,2]=2 3 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,0,0|0,0,0]=0 7 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,0,0|0,0,0]=0 9 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,0,0|0,0,0]=0 10 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,0,0|0,0,0]=0 11 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,0,0|0,0,1]=1 12 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,0,0|0,0,1]=1 13 B5R0.5 CC(O)C(C)O HY-128387 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.5 CC(O)C(C)O HY-128387R [0,0,0,0,0,0|1,0,1]=2 15 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,0,0|1,0,0]=1 18 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,0,0|0,0,0]=0 19 B5R0.5 N=C(N)S(=O)O HY-W015915 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.5 NC(=O)C(Br)Br HY-133665 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,0,0,0,0,0|1,0,1]=2 24 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,0,0,0,0,0|1,0,1]=2 25 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,0,0,0,0,0|1,0,1]=2 26 B5R0.5 O=C(O)C(Br)Br HY-23399 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.5 O=C(O)C(O)O HY-W019724 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.5 OB(O)B(O)O HY-W004761 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.5 [2H]C(=O)N([2H])[2H] HY-Y0842S1 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.1 C=CC(=O)O HY-W243303A [1,0,0,0,0,0|0,0,2]=3 32 B4R0.1 C=CC(=O)O HY-W243303C [1,0,0,0,0,0|0,0,2]=3 33 B4R0.1 C=CC(=O)O HY-W243303D [1,0,0,0,0,0|0,0,2]=3 34 B4R0.1 C=CC(=O)O HY-W243303E [1,0,0,0,0,0|0,0,2]=3 35 B4R0.1 C=CC(=O)O HY-W243303O [1,0,0,0,0,0|0,0,2]=3 36 B4R0.1 C=CC(N)=O HY-W115727 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 C=CC(N)=O HY-W115727A [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 C=CC(N)=O HY-W115727B [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|0,0,2]=3 40 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 CC(=O)NBr HY-131899 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|0,0,1]=2 48 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 CNC(=N)N HY-W005028 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 COC(N)=O HY-Y1401 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|0,0,1]=2 54 B4R0.1 NC(=O)CBr HY-W007330 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 NC(=O)CCl HY-W010629 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 NC(=O)CI HY-34477 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 NC(=O)NO HY-B0313 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 NC(=O)NO HY-B0313R [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 NCC(=O)O HY-Y0966 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 NCC(=O)O HY-Y0966R [1,0,0,0,0,0|1,0,0]=2 61 B4R0.1 NCC(N)=O HY-Y1123 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 NC[13C](=O)O HY-Y0966S4 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 NNC(N)=O HY-Y0470 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.1 O=BB(O)O HY-W129975 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 O=C(O)CO HY-W015967 [1,0,0,0,0,0|0,0,0]=1 68 B4R0.1 O=C(O)[Ba]O HY-Y0827 [1,0,0,0,0,0|1,0,0]=2 69 B4R0.1 O=C(O)[Ca]O HY-W243408C [1,0,0,0,0,0|1,0,0]=2 70 B4R0.1 O=C([Zn])OO HY-B1818 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 O=CC(=O)O HY-79494 [1,0,0,0,0,0|0,0,2]=3 72 B4R0.1 O=C[Pb](=O)O HY-Y1877 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 O=P(=O)OO HY-B2243 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 O=P(=O)OO HY-B2243A [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 O=P(=O)OO HY-B2243B [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 O=P(=O)OO HY-B2243D [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 O=P(=O)OO HY-W094497 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 O=P(=O)OO HY-Y0332B [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 O=P(=O)OO HY-Y0332K [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 O=[13C](O)O[Na] HY-W251598S [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 O=[AlH3][AlH3](O)O HY-Y0498 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.1 O=[N+]([O-])CBr HY-131120 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 O=[Si](O)[Ca]O HY-W094349A [1,0,0,0,0,0|1,1,0]=3 84 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|1,0,0]=2 89 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,1,0,0,0,0|1,0,0]=2 93 B6R0.3 CC(CO)C(=O)O HY-113126 [0,1,0,0,0,0|0,0,0]=1 94 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [0,1,0,0,0,0|0,0,0]=1 95 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,1,0,0,0,0|0,0,2]=3 96 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,1,0,0,0,0|0,0,2]=3 97 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.3 CCC(O)C(=O)O HY-113381 [0,1,0,0,0,0|0,0,0]=1 100 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,1,0,0,0,0|0,0,0]=1 103 B6R0.3 COC(=O)C(C)N HY-W010324 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.3 CON(C)C(C)=O HY-W001095 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [0,1,0,0,0,0|0,0,0]=1 109 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [0,1,0,0,0,0|0,0,0]=1 110 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [0,1,0,0,0,0|0,0,0]=1 111 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [0,1,0,0,0,0|0,0,0]=1 112 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [0,1,0,0,0,0|1,0,2]=4 114 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,1,0,0,0,0|1,0,0]=2 122 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,1,0,0,0,0|1,0,0]=2 125 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,1,0,0,0,0|1,0,0]=2 128 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,1,0,0,0,0|1,0,0]=2 130 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,1,0,0,0,0|1,0,0]=2 131 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.3 O=C(CBr)C(Br)Br HY-133624 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,1,0,0,0,0|0,0,2]=3 138 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,1,0,0,0,0|0,0,0]=1 140 B6R0.3 O=C(O[Na])C(Cl)Cl HY-Y0445A [0,1,0,0,0,0|2,0,0]=3 141 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [0,1,0,0,0,0|0,0,0]=1 142 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,1,0,0,0,0|0,0,0]=1 146 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [0,1,0,0,0,0|0,0,0]=1 147 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [0,1,0,0,0,0|0,0,0]=1 148 B6R0.7 CC(C)(C)S(N)=O HY-34480 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.7 CC(C)(C)[S@@](N)=O HY-40229 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.7 CC(C)(C)[S@](N)=O HY-40228 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,1,0,0,0,0|1,0,0]=2 152 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,1,0,0,0,0|0,0,0]=1 153 B6R0.7 O=C(O)C(F)(F)F HY-W105853 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.7 O=C([O-])C(F)(F)F HY-W007333 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.7 [2H]C([2H])(O)C(=O)O HY-W015967S [0,1,0,0,0,0|1,0,0]=2 156 B6R0.7 [2H]C([2H])([2H])C(N)=O HY-W243217 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [0,1,0,0,0,0|1,0,0]=2 158 B6R1.11 NC(=O)C1CO1 HY-119329 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.11 O=C(O)C1CC1 HY-Y0001 [0,0,0,1,0,0|1,0,0]=2 160 B6R1.11 OB(O)C1CC1 HY-59219 [0,0,0,1,0,0|2,0,1]=4 161 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,0,1|1,0,2]=4 162 B6R0.2 CC(C)CB(O)O HY-W000978 [0,0,0,0,0,1|2,0,1]=4 163 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,0,1|1,0,0]=2 164 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,0,1|2,0,0]=3 165 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,0,1|1,0,0]=2 166 B6R0.2 CC(C)SC(=N)N HY-101304 [0,0,0,0,0,1|3,0,0]=4 167 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,0,1|1,0,0]=2 168 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,0,1|0,0,0]=1 169 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,0,1|2,0,0]=3 170 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,0,1|2,0,0]=3 171 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,0,1|2,0,0]=3 172 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,0,1|0,0,0]=1 173 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,0,1|1,0,0]=2 174 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,0,1|0,0,0]=1 175 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,0,0,0,0,1|1,0,1]=3 176 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,0,0,0,0,1|1,0,1]=3 177 B3R0.1 C(=O)ON HY-Y0488A [2,0,0,0,0,0|2,0,0]=4 178 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|1,0,1]=4 179 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|0,0,0]=2 180 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|0,0,1]=3 181 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|0,0,1]=3 182 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|0,0,1]=3 183 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|0,0,1]=3 184 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|0,0,1]=3 185 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|0,0,1]=3 186 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|0,0,1]=3 187 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|0,0,1]=3 188 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|0,0,1]=3 189 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|0,0,1]=3 190 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|0,0,1]=3 191 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|0,0,1]=3 192 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|0,0,1]=3 193 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|0,0,1]=3 194 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|0,0,1]=3 195 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|0,0,1]=3 196 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|0,0,1]=3 197 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|0,0,1]=3 198 B3R0.2 CB(O)O HY-34449 [2,0,0,0,0,0|1,0,0]=3 199 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|0,0,0]=2 200 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|0,0,0]=2 201 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|0,0,0]=2 202 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|0,0,0]=2 203 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|0,0,0]=2 204 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,0,2]=4 205 B3R0.2 CC(N)=O HY-Y0946 [2,0,0,0,0,0|1,0,0]=3 206 B3R0.2 CC(N)=S HY-Y0698 [2,0,0,0,0,0|1,1,0]=4 207 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|2,0,0]=4 208 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|0,0,0]=2 209 B3R0.2 NC(N)=O HY-Y0271 [2,0,0,0,0,0|2,0,0]=4 210 B3R0.2 NC(N)=O HY-Y0271R [2,0,0,0,0,0|2,0,0]=4 211 B3R0.2 N[13C](N)=O HY-118877 [2,0,0,0,0,0|2,0,0]=4 212 B3R0.2 O=[13C]([O-])O HY-Y0287AS [2,0,0,0,0,0|0,0,1]=3 213 B3R0.2 O[AlH3](O)O HY-B1521 [2,0,0,0,0,0|1,0,1]=4 214 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [2,0,0,0,0,0|2,0,0]=4 215 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.1 C#CCC(=O)O HY-W004784 [1,1,0,0,0,0|0,0,1]=3 217 B5R0.1 C=CCC(=O)O HY-W068697 [1,1,0,0,0,0|0,0,1]=3 218 B5R0.1 CC(=O)CCO HY-W051287 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 CC(=O)NCO HY-W024564 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.1 CC(C)=CC=O HY-34409 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.1 CC(C)=CCO HY-W013035 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.1 CC(O)CCO HY-77490A [1,1,0,0,0,0|0,0,1]=3 223 B5R0.1 CCCB(O)O HY-W007470 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.1 CCCC(N)=O HY-W088319 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.1 CCOC(N)=O HY-B1207 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.1 CCOC(N)=O HY-B1207R [1,1,0,0,0,0|1,0,0]=3 227 B5R0.1 CCSC(=N)N HY-101252 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.1 CN(C)CC=O HY-100061A [1,1,0,0,0,0|2,0,0]=4 229 B5R0.1 CNCC(=O)O HY-101037 [1,1,0,0,0,0|0,0,0]=2 230 B5R0.1 CNCC(=O)O HY-101037R [1,1,0,0,0,0|0,0,0]=2 231 B5R0.1 COCC(=O)O HY-Y1009 [1,1,0,0,0,0|0,0,0]=2 232 B5R0.1 C[C@@H](O)CCO HY-77490 [1,1,0,0,0,0|0,0,1]=3 233 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,1,0,0,0,0|0,0,1]=3 234 B5R0.1 NCCC(=O)O HY-N0230 [1,1,0,0,0,0|0,0,0]=2 235 B5R0.1 NCCS(=O)O HY-100803 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.1 NOCC(=O)O HY-107994 [1,1,0,0,0,0|0,0,0]=2 237 B5R0.3 CCC(=O)CO HY-W005327 [1,1,0,0,0,0|0,0,0]=2 238 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,1,0,0,0,0|0,0,0]=2 239 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,1,0,0,0,0|0,0,0]=2 241 B5R0.3 COC(=O)CN HY-Y1789 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.3 NCC(=O)O[Na] HY-W015946 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.3 NCC(O)CO HY-W002040 [1,1,0,0,0,0|0,0,1]=3 244 B5R0.3 NC[C@@H](O)CCl HY-W108649 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.3 O=C(CI)O[Na] HY-D0849 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.3 O=C(CO)CO HY-Y0335 [1,1,0,0,0,0|0,0,0]=2 247 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,1,0,0,0,0|0,0,0]=2 248 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,1,0,0,0,0|0,1,0]=3 249 B5R0.3 O=CC(O)CO HY-128748 [1,1,0,0,0,0|0,0,0]=2 250 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,1,0,0,0,0|0,0,0]=2 251 B5R0.3 OC(CBr)CBr HY-W014092 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|0,0,1]=3 253 B5R0.3 OCC(O)CO HY-B1659R [1,1,0,0,0,0|0,0,1]=3 254 B5R0.3 OCC(S)CS HY-B1285 [1,1,0,0,0,0|0,1,1]=4 255 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|1,0,1]=4 257 B5R0.4 CC(C)(O)CN HY-33948 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.4 O=P(O)([CaH])OO HY-B2242 [1,1,0,0,0,0|2,0,0]=4 259 B5R0.4 O=S(O)(=[Ba])OO HY-B0560B [1,1,0,0,0,0|2,0,0]=4 260 B5R0.4 O=S(O)(=[Ca])OO HY-W019901B [1,1,0,0,0,0|2,0,0]=4 261 B5R0.4 O=S(O)(=[Mg])OO HY-Y1267 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.4 O=S(O)(=[Mg])OO HY-Y1267D [1,1,0,0,0,0|2,0,0]=4 263 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,1,0,0,0,1|0,0,2]=4 264 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,1,0,0,0,1|0,0,0]=2 265 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,1,0,0,0,1|1,0,0]=3 266 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,1,0,0,0,1|1,0,0]=3 267 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,1|2,0,0]=4 268 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,1,0,0,0,1|0,0,0]=2 269 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [0,1,0,0,0,1|1,0,1]=4 270 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,1|0,0,2]=4 271 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,1,0,0,0,1|0,0,0]=2 272 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,1,0,0,0,1|0,0,0]=2 273 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,1,0,0,0,1|1,0,0]=3 274 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,1,0,0,0,1|0,0,0]=2 275 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,1|0,0,0]=2 276 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,1|0,0,0]=2 277 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,1,0,0,0,1|0,0,2]=4 278 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,1,0,0,0,1|0,0,0]=2 279 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,1,0,0,0,1|1,0,1]=4 280 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,1,0,0,0,1|1,0,1]=4 281 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,1,0,0,0,1|2,0,0]=4 282 B7R0.9 O=C(O)CP(=O)(O)O HY-128744 [0,1,0,0,0,1|2,0,0]=4 283 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,1,0,0,0,1|1,0,1]=4 284 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,0,1|1,0,0]=3 285 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,0,1|1,0,0]=3 286 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,0,1|1,0,0]=3 287 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,0,1|1,0,0]=3 288 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,0,1|1,0,0]=3 289 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,0,1|1,0,0]=3 290 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,0,1|0,0,0]=2 291 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,0,1|0,0,0]=2 292 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,0,1|0,0,0]=2 293 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,0,1|0,0,0]=2 294 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,0,1|0,0,0]=2 295 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,0,1|0,0,0]=2 296 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,1,0,0,0,1|1,0,1]=4 297 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,0,1|0,0,0]=2 298 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,0,1|0,0,0]=2 299 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,2,0,0,0,0|1,0,0]=3 301 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,2,0,0,0,0|0,0,2]=4 303 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,2,0,0,0,0|0,0,2]=4 308 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,2,0,0,0,0|1,0,0]=3 317 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,2,0,0,0,0|1,0,0]=3 319 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,2,0,0,0,0|1,0,0]=3 321 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,2,0,0,0,0|1,0,0]=3 323 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,2,0,0,0,0|1,0,0]=3 324 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,2,0,0,0,0|1,0,0]=3 325 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,2,0,0,0,0|0,0,2]=4 328 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,2,0,0,0,0|0,0,0]=2 329 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,2,0,0,0,0|1,0,0]=3 330 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,2,0,0,0,0|1,0,0]=3 331 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.10 NC(CO)C(=O)NO HY-131894 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,2,0,0,0,0|0,0,0]=2 335 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,2,0,0,0,0|0,0,2]=4 336 B7R0.10 O=C(O[Na])C(=O)O[Na] HY-Y0262B [0,2,0,0,0,0|1,0,1]=4 337 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [0,2,0,0,0,0|0,0,1]=3 338 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551 [0,2,0,0,0,0|0,0,2]=4 339 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551R [0,2,0,0,0,0|0,0,2]=4 340 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917A [0,2,0,0,0,0|0,1,1]=4 341 B7R0.10 O[C@H](CS)[C@@H](O)CS HY-15916 [0,2,0,0,0,0|0,1,1]=4 342 B7R0.10 O[C@H](CS)[C@H](O)CS HY-15917 [0,2,0,0,0,0|0,1,1]=4 343 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.10 [C@@H](O)(CO)[C@H](O)CO HY-W012846 [0,2,0,0,0,0|0,0,2]=4 345 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,2,0,0,0,0|0,0,0]=2 347 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,2,0,0,0,0|1,0,0]=3 349 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,2,0,0,0,0|0,0,0]=2 350 B7R0.14 [2H]C([2H])([2H])C(=O)O[Na] HY-W006398S [0,2,0,0,0,0|2,0,0]=4 351 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,2,0,0,0,0|1,0,0]=3 352 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,2,0,0,0,0|0,0,0]=2 354 B5R1.2 IC1COC1 HY-W016306 [1,0,0,1,0,0|1,0,1]=4 355 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,1,0,0|0,0,0]=2 356 B5R1.2 O=C1COC1 HY-76440 [1,0,0,1,0,0|1,0,0]=3 357 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|1,0,1]=4 358 B5R1.2 OC1CNC1 HY-40144 [1,0,0,1,0,0|1,0,1]=4 359 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|0,0,1]=3 360 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,1|2,0,0]=4 361 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,0,0,1,0,1|1,0,0]=3 362 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,0,0,1,0,1|1,0,0]=3 363 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,1,0,0|1,1,0]=4 364 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,1,0,1,0,0|1,0,0]=3 365 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,1,0,1,0,0|1,0,0]=3 366 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,1,0,0|1,1,0]=4 367 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,1,0,1,0,0|1,0,0]=3 368 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,1,0,1,0,0|1,0,0]=3 372 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,0,0,0,0,2|1,0,1]=4 373 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,2|0,0,2]=4 374 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,2|0,0,2]=4 375 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,0,2|1,0,0]=3 376 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,0,2|1,0,0]=3 377 B7R0.6 O=C(O)C#CC(=O)O HY-W094710 [0,0,0,0,0,2|1,0,1]=4 378 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,0,0,0,0,2|1,0,1]=4 379 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,0,0,0,0,2|1,0,1]=4 380 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,0,0,0,0,2|1,0,1]=4 381 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,0,0,0,0,2|1,0,1]=4 382 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,0,0,0,0,2|1,0,1]=4 383 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,0,0,0,0,2|1,0,1]=4