0 B5R0.1 CC(C)=CC=O HY-34409 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 CC(C)=CCO HY-W013035 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(N)CC#N HY-W018936 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(O)CCO HY-77490A [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CN(C)CC=O HY-100061A [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 C[C@@H](O)CCO HY-77490 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C=CC(=O)O HY-W243303A [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 C=CC(=O)O HY-W243303C [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C=CC(=O)O HY-W243303D [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C=CC(=O)O HY-W243303E [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 C=CC(=O)O HY-W243303O [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C=CC(N)=O HY-W115727 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C=CC(N)=O HY-W115727A [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C=CC(N)=O HY-W115727B [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 C=CCCN HY-W019321 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.2 C=CCSC HY-128447 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.2 CNCCO HY-Y1783 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 COCCO HY-139415 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 CSSSC HY-128454 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.2 CC(C)CB(O)O HY-W000978 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.2 CC(C)SC(=N)N HY-101304 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.2 CC(N)CN(C)C HY-32007 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.2 CC(N)CN(C)C HY-32007A [0,1,0,0,0,0|1,0,2]=4 38 B6R0.2 CC(O)CC(=O)O HY-113378 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,1,0,0,0,0|2,0,1]=4 42 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|2,0,0]=3 47 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|1,0,2]=4 48 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [0,1,0,0,0,0|3,0,0]=4 49 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.3 COC(=O)C(C)N HY-W010324 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [0,1,0,0,0,0|3,0,0]=4 53 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [0,1,0,0,0,0|3,0,0]=4 55 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [0,1,0,0,0,0|3,0,0]=4 56 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.4 CC(C)CCCO HY-W007511 [0,1,0,0,0,0|0,0,2]=3 62 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.4 CN(C)CCCCl HY-W018789 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.4 NC\C=C\C(=O)O HY-100800 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [0,1,0,0,0,0|0,1,2]=4 67 B6R0.5 CC(C)(C)CCO HY-W012977 [0,1,0,0,0,0|1,0,2]=4 68 B6R0.5 CCC[N+](C)(C)C HY-W099930 [0,1,0,0,0,0|1,0,2]=4 69 B6R1.2 CC1=CC=CS1 HY-W010615 [0,0,0,1,0,0|1,0,2]=4 70 B6R1.2 CC1=NNC=C1 HY-66054 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 CN1C=CN=C1 HY-59137 [0,0,0,1,0,0|2,0,1]=4 72 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,1,0,0|1,0,2]=4 73 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,1,0,0|2,0,1]=4 74 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,1,0,0|1,0,1]=3 75 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,0,0,1,0,0|2,0,1]=4 78 B6R1.10 CC1(O)CNC1 HY-59333 [0,0,0,1,0,0|2,0,1]=4 79 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 80 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|2,0,0]=4 81 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|2,0,0]=4 82 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|1,0,0]=3 83 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,0]=3 84 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,0]=3 85 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|2,0,0]=4 86 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,0]=3 87 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.3 O=CC(O)CO HY-128748 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|1,0,1]=4 93 B5R0.4 CC(C)(O)CN HY-33948 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.4 CC[N+](C)(C)C HY-W101257 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.4 CO[Si](C)(C)C HY-104035E [1,1,0,0,0,0|1,1,0]=4 96 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.5 CC(N)C(=O)O HY-N2362 [1,1,0,0,0,0|2,0,0]=4 98 B5R0.5 CC(O)C(=O)O HY-B1530 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.5 CC(O)C(=O)O HY-B2227 [1,1,0,0,0,0|2,0,0]=4 100 B5R0.5 CC(O)C(=O)O HY-B2227D [1,1,0,0,0,0|2,0,0]=4 101 B5R0.5 CC(O)C(=O)O HY-B2227R [1,1,0,0,0,0|2,0,0]=4 102 B5R0.5 CC(O)C(=O)O HY-W250313 [1,1,0,0,0,0|2,0,0]=4 103 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,1,0,0,0,0|2,0,0]=4 104 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,1,0,0,0,0|2,0,0]=4 105 B5R0.5 CC(O)C(C)O HY-128387 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.5 CC(O)C(C)O HY-128387R [1,1,0,0,0,0|1,0,1]=4 107 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,1,0,0,0,0|2,0,0]=4 110 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,1,0,0,0,0|2,0,0]=4 111 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.2 CCCSSC HY-N7436 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.2 CCSCCCl HY-W199190 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.2 CC\C=C/CO HY-W030347 [1,1,0,0,0,0|0,0,0]=2 115 B5R0.2 CC\C=C\C=O HY-W111375 [1,1,0,0,0,0|0,0,1]=3 116 B5R0.2 OC\C=C/CO HY-W027631 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,2,0,0,0,0|1,0,1]=4 118 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,2,0,0,0,0|1,0,1]=4 119 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,2,0,0,0,0|0,0,2]=4 120 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [0,2,0,0,0,0|0,0,2]=4 124 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,2,0,0,0,0|1,0,1]=4 127 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,2,0,0,0,0|2,0,0]=4 129 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,2,0,0,0,0|1,0,1]=4 133 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,2,0,0,0,0|0,0,2]=4 134 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,2,0,0,0,0|0,0,2]=4 135 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,2,0,0,0,0|1,0,0]=3 136 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,2,0,0,0,0|1,0,1]=4 137 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,2,0,0,0,0|1,0,1]=4 138 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,2,0,0,0,0|1,0,1]=4 139 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,2,0,0,0,0|1,0,1]=4 141 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,2,0,0,0,0|1,0,1]=4 142 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,2,0,0,0,0|1,0,1]=4 143 B7R0.8 CC(C)(C)OCCN HY-W154207 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.8 CCCCC(C)(C)O HY-W111893 [0,2,0,0,0,0|0,0,2]=4 145 B7R0.8 OC\C=C\C(F)(F)F HY-43064 [0,2,0,0,0,0|2,0,0]=4 146 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|1,0,1]=4 147 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,1,0,0|0,0,1]=3 152 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,1,0,0|1,0,0]=3 154 B7R1.3 CC1CCOCO1 HY-W111914 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.4 CN1CCNC1=O HY-W005507 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,1,0,0|2,0,0]=4 161 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,1,0,1,0,0|1,0,1]=4