0 B5R0.1 CC(=O)CCO HY-W051287 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(=O)NCO HY-W024564 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(C)=CC=O HY-34409 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 CC(C)=CCO HY-W013035 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC(N)CC#N HY-W018936 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC(O)CCO HY-77490A [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 CCCB(O)O HY-W007470 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CCCC(N)=O HY-W088319 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CN(C)CC=O HY-100061A [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 C[C@@H](O)CCO HY-77490 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 NCCC(=O)O HY-N0230 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 NCCS(=O)O HY-100803 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 NOCC(=O)O HY-107994 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 NCC(=O)O HY-Y0966 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 NCC(=O)O HY-Y0966R [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 NCC(N)=O HY-Y1123 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 NC[13C](=O)O HY-Y0966S4 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 BrCCCBr HY-Y1806 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 C#CCCO HY-W001947 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.2 C=CCCN HY-W019321 [1,0,0,0,0,0|0,0,2]=3 31 B4R0.2 C=CCSC HY-128447 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 CNCCO HY-Y1783 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 COCCO HY-139415 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 NCCCO HY-Y0139 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 OCCCBr HY-W007337 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 OCCCO HY-W017758 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 OCCCS HY-W090210 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 COC(=O)CCN HY-W007648 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.1 COC(=O)CCO HY-42569 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.2 CC(C)CB(O)O HY-W000978 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,1,0,0,0,0|0,0,1]=2 44 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.2 CC(C)SC(=N)N HY-101304 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.2 CC(N)CN(C)C HY-32007 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.2 CC(N)CN(C)C HY-32007A [0,1,0,0,0,0|1,0,0]=2 49 B6R0.2 CC(O)CC(=O)O HY-113378 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,1,0,0,0,0|2,0,1]=4 53 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|1,0,0]=2 58 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(C)CCCO HY-W007511 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.4 CN(C)CCCCl HY-W018789 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.4 N=C(N)SCCN HY-131929 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.4 NCCCC(=O)O HY-N0067 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.4 NCCCC(=O)O HY-N0067R [0,1,0,0,0,0|2,0,1]=4 71 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [0,1,0,0,0,0|1,1,1]=4 72 B6R0.5 CC(C)(C)CCO HY-W012977 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.5 CCC[N+](C)(C)C HY-W099930 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.5 C[N+](C)(C)CCBr HY-W011972 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.5 C[N+](C)(C)CCCl HY-B1886 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.5 C[N+](C)(C)CCO HY-16074 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.5 C[N+](C)(C)CCO HY-B1337 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.5 C[N+](C)(C)CCO HY-B1337R [0,1,0,0,0,0|2,0,0]=3 79 B6R0.5 C[N+](C)(C)CCO HY-W039760 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.5 C[N+](C)(C)CCO HY-W127656 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.5 C[N+](C)(C)CCO HY-Y1242 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.5 C[N+](C)(C)CCO HY-Y1242A [0,1,0,0,0,0|2,0,0]=3 83 B6R0.5 NCCP(=O)(O)O HY-W006371 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.5 NCCS(=O)(=O)O HY-B0351R [0,1,0,0,0,0|3,0,0]=4 85 B6R0.5 NCCS(=O)(=O)S HY-N15156 [0,1,0,0,0,0|3,0,0]=4 86 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,1,0,0|2,0,0]=3 87 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,1,0,0|1,0,0]=2 88 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,0,0,1,0,0|3,0,0]=4 92 B6R1.10 CC1(O)CNC1 HY-59333 [0,0,0,1,0,0|3,0,0]=4 93 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 94 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|2,0,0]=4 95 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|1,0,0]=3 96 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,0,0]=3 97 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|2,0,0]=4 98 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|2,0,0]=4 99 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|2,0,0]=4 100 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|2,0,0]=4 101 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|2,0,0]=4 102 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|2,0,0]=4 103 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|2,0,0]=4 104 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|2,0,0]=4 105 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|2,0,0]=4 106 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|2,0,0]=4 107 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|2,0,0]=4 108 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|2,0,0]=4 109 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|2,0,0]=4 110 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|2,0,0]=4 113 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|2,0,0]=4 114 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|2,0,0]=4 115 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|1,0,0]=3 116 B3R0.2 CC(N)=O HY-Y0946 [2,0,0,0,0,0|1,0,1]=4 117 B3R0.2 CC(N)=S HY-Y0698 [2,0,0,0,0,0|1,0,1]=4 118 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,0]=3 119 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,0]=3 120 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|2,0,0]=4 121 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,0]=3 122 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.3 CCC(=O)CO HY-W005327 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|0,0,1]=3 125 B5R0.3 COC(=O)CN HY-Y1789 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.3 NCC(O)CO HY-W002040 [1,1,0,0,0,0|1,0,0]=3 127 B5R0.3 NC[C@@H](O)CCl HY-W108649 [1,1,0,0,0,0|1,0,0]=3 128 B5R0.3 OC(CBr)CBr HY-W014092 [1,1,0,0,0,0|2,0,0]=4 129 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.3 OCC(O)CO HY-B1659R [1,1,0,0,0,0|2,0,0]=4 131 B5R0.3 OCC(S)CS HY-B1285 [1,1,0,0,0,0|2,0,0]=4 132 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|1,0,0]=3 134 B5R0.4 CC(C)(O)CN HY-33948 [1,1,0,0,0,0|0,0,0]=2 135 B5R0.4 CC[N+](C)(C)C HY-W101257 [1,1,0,0,0,0|1,0,0]=3 136 B5R0.4 CO[Si](C)(C)C HY-104035E [1,1,0,0,0,0|1,1,0]=4 137 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.5 CC(O)C(C)O HY-128387 [1,1,0,0,0,0|1,0,0]=3 139 B5R0.5 CC(O)C(C)O HY-128387R [1,1,0,0,0,0|1,0,0]=3 140 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [1,1,0,0,0,0|1,0,0]=3 141 B5R0.2 C#CCCCO HY-W010642 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.2 CCCSSC HY-N7436 [1,1,0,0,0,0|2,0,0]=4 143 B5R0.2 CCSCCCl HY-W199190 [1,1,0,0,0,0|1,0,0]=3 144 B5R0.2 CC\C=C/CO HY-W030347 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.2 NCCCCO HY-W002041 [1,1,0,0,0,0|0,0,0]=2 146 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,2,0,0,0,0|1,0,1]=4 148 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,2,0,0,0,0|0,0,0]=2 149 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [0,2,0,0,0,0|0,0,0]=2 150 B7R0.3 COC(=O)CCCN HY-79594 [0,2,0,0,0,0|1,0,1]=4 151 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,2,0,0,0,0|1,0,1]=4 152 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,2,0,0,0,0|1,0,1]=4 154 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551R [0,2,0,0,0,0|2,0,0]=4 158 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917A [0,2,0,0,0,0|2,0,0]=4 159 B7R0.10 O[C@H](CS)[C@@H](O)CS HY-15916 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.10 O[C@H](CS)[C@H](O)CS HY-15917 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.10 [C@@H](O)(CO)[C@H](O)CO HY-W012846 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,2,0,0,0,0|1,0,0]=3 163 B7R0.11 C[N+](C)(CF)CCO HY-107351 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,2,0,0,0,0|1,0,1]=4 165 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,2,0,0,0,0|1,0,0]=3 166 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,2,0,0,0,0|1,0,0]=3 167 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,2,0,0,0,0|1,0,1]=4 170 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,2,0,0,0,0|1,0,1]=4 172 B7R0.13 CC(C)C(C)(N)C#N HY-W040802 [0,2,0,0,0,0|0,0,2]=4 173 B7R0.4 CCCCCC(C)N HY-B0952 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.4 CCCCCC(C)O HY-W015879 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,2,0,0,0,0|1,0,0]=3 176 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,2,0,0,0,0|1,0,0]=3 177 B7R0.8 CC(C)(C)OCCN HY-W154207 [0,2,0,0,0,0|0,0,0]=2 178 B7R0.8 CCCCC(C)(C)O HY-W111893 [0,2,0,0,0,0|1,0,0]=3 179 B7R0.8 CS(=O)(=O)SCCN HY-120128 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.8 C[N+](C)(C)CCCBr HY-W009431 [0,2,0,0,0,0|2,0,0]=4 181 B5R1.2 FC1CNC1 HY-W001606 [1,0,0,1,0,0|1,0,0]=3 182 B5R1.2 IC1COC1 HY-W016306 [1,0,0,1,0,0|2,0,0]=4 183 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|1,0,0]=3 184 B5R1.2 OC1CNC1 HY-40144 [1,0,0,1,0,0|1,0,0]=3 185 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,0]=3 186 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,1,0,1,0,0|0,0,0]=2 190 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.3 BrC1CCOCC1 HY-W003396 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.3 CC1CCOCO1 HY-W111914 [0,1,0,1,0,0|1,0,0]=3 195 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,1,0,1,0,0|0,0,0]=2 196 B7R1.3 O=C1CNCCN1 HY-20128 [0,1,0,1,0,0|1,0,1]=4 197 B7R1.3 OC1CCCCC1 HY-Y1217 [0,1,0,1,0,0|2,0,0]=4 198 B7R1.4 CN1CCNC1=O HY-W005507 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [0,1,0,1,0,0|1,0,0]=3 200 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,1,0,1,0,0|1,0,1]=4 201 B7R1.7 C=CCC[C@@H]1CO1 HY-46575 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.14 FC1(F)CCNC1 HY-W001466 [0,1,0,1,0,0|1,0,0]=3