0 B5R0.1 CC(=O)CCO HY-W051287 [0,0,0,0,0,0|1,1,1]=3 1 B5R0.1 CC(=O)NCO HY-W024564 [0,0,0,0,0,0|2,1,0]=3 2 B5R0.1 CC(C)=CC=O HY-34409 [0,0,0,0,0,0|0,1,1]=2 3 B5R0.1 CC(C)=CCO HY-W013035 [0,0,0,0,0,0|0,1,0]=1 4 B5R0.1 CC(O)CCO HY-77490A [0,0,0,0,0,0|1,1,2]=4 5 B5R0.1 CCCC(N)=O HY-W088319 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CCOC(N)=O HY-B1207 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CCOC(N)=O HY-B1207R [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 CCSC(=N)N HY-101252 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CN(C)CC=O HY-100061A [0,0,0,0,0,0|1,1,2]=4 10 B5R0.1 C[C@@H](O)CCO HY-77490 [0,0,0,0,0,0|1,1,2]=4 11 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 NCCC(=O)O HY-N0230 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C=CC(=O)O HY-W243303A [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C=CC(=O)O HY-W243303C [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C=CC(=O)O HY-W243303D [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 C=CC(=O)O HY-W243303E [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C=CC(=O)O HY-W243303O [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C=CC(N)=O HY-W115727 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C=CC(N)=O HY-W115727A [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C=CC(N)=O HY-W115727B [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|1,1,0]=3 22 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|1,1,0]=3 23 B4R0.1 CC(=O)NBr HY-131899 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|2,1,0]=4 25 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|1,1,0]=3 28 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|1,1,1]=4 30 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CNC(=N)N HY-W005028 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 COC(N)=O HY-Y1401 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|1,1,1]=4 34 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|1,1,1]=4 36 B4R0.1 NC(=O)CBr HY-W007330 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 NC(=O)CCl HY-W010629 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 NC(=O)CI HY-34477 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 NCC(=O)O HY-Y0966 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 NCC(=O)O HY-Y0966R [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 NCC(N)=O HY-Y1123 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 NC[13C](=O)O HY-Y0966S4 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 O=C(O)CO HY-W015967 [1,0,0,0,0,0|2,1,0]=4 46 B4R0.1 O=CC(=O)O HY-79494 [1,0,0,0,0,0|2,1,0]=4 47 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [1,0,0,0,0,0|3,0,0]=4 48 B4R0.2 C=CCCN HY-W019321 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 CNCCO HY-Y1783 [1,0,0,0,0,0|1,1,1]=4 50 B4R0.2 COCCO HY-139415 [1,0,0,0,0,0|1,1,1]=4 51 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|1,1,1]=4 52 B4R0.2 OCCCS HY-W090210 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.1 CCOC(=O)CN HY-76204 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 COC(=O)CCN HY-W007648 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 COC(=O)CCO HY-42569 [0,1,0,0,0,0|1,1,1]=4 56 B6R0.1 COC(=O)OCCl HY-43384 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.2 CC(N)CN(C)C HY-32007 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.2 CC(N)CN(C)C HY-32007A [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,1,0,0,0,0|2,1,0]=4 62 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|0,1,2]=4 64 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,1,0,0,0,0|3,0,0]=4 66 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.4 CC(C)CCCO HY-W007511 [0,1,0,0,0,0|0,1,2]=4 79 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.4 CN(C)CCCCl HY-W018789 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.4 CSCCC(=O)O HY-101401 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.4 NC\C=C\C(=O)O HY-100800 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.5 CC(C)(C)CCO HY-W012977 [0,1,0,0,0,0|0,1,2]=4 84 B6R0.5 CCC[N+](C)(C)C HY-W099930 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.5 C[N+](C)(C)CCBr HY-W011972 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.5 C[N+](C)(C)CCCl HY-B1886 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.5 C[N+](C)(C)CCO HY-16074 [0,1,0,0,0,0|1,1,1]=4 88 B6R0.5 C[N+](C)(C)CCO HY-B1337 [0,1,0,0,0,0|1,1,1]=4 89 B6R0.5 C[N+](C)(C)CCO HY-B1337R [0,1,0,0,0,0|1,1,1]=4 90 B6R0.5 C[N+](C)(C)CCO HY-W039760 [0,1,0,0,0,0|1,1,1]=4 91 B6R0.5 C[N+](C)(C)CCO HY-W127656 [0,1,0,0,0,0|1,1,1]=4 92 B6R0.5 C[N+](C)(C)CCO HY-Y1242 [0,1,0,0,0,0|1,1,1]=4 93 B6R0.5 C[N+](C)(C)CCO HY-Y1242A [0,1,0,0,0,0|1,1,1]=4 94 B6R1.2 BrC1=CSC=C1 HY-59299 [0,0,0,1,0,0|1,0,2]=4 95 B6R1.2 CC1=CC=CS1 HY-W010615 [0,0,0,1,0,0|2,0,1]=4 96 B6R1.2 CC1=CNN=C1 HY-B0876A [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 CC1=NNC=C1 HY-66054 [0,0,0,1,0,0|2,0,1]=4 98 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 N=C1CCCS1 HY-W015798 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,1,0,0|1,1,1]=4 102 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,1,0,0|1,0,1]=3 103 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 104 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|2,0,0]=4 105 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,0,1]=4 106 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|1,1,0]=4 107 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|1,1,0]=4 108 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|1,1,0]=4 109 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|1,1,0]=4 110 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|1,1,0]=4 111 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|1,1,0]=4 112 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,1,1]=4 113 B3R0.2 CC(N)=O HY-Y0946 [2,0,0,0,0,0|1,1,0]=4 114 B3R0.2 CC(N)=S HY-Y0698 [2,0,0,0,0,0|1,0,1]=4 115 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,0]=3 116 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,0]=3 117 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,1,0]=4 118 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|1,1,0]=4 119 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,0]=3 120 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.3 CCC(=O)CO HY-W005327 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|0,1,1]=4 123 B5R0.3 CNC(=S)NC HY-W027951 [1,1,0,0,0,0|2,0,0]=4 124 B5R0.3 COC(=O)CN HY-Y1789 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.3 O=C(CO)CO HY-Y0335 [1,1,0,0,0,0|1,1,0]=4 126 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.3 OCC(S)CS HY-B1285 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|0,1,1]=4 129 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|0,1,1]=4 130 B5R0.4 CC(C)(O)CN HY-33948 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.4 CC[N+](C)(C)C HY-W101257 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.4 CO[Si](C)(C)C HY-104035E [1,1,0,0,0,0|1,1,0]=4 133 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,1,0,0,0,0|0,1,1]=4 134 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,1,0,0,0,0|1,1,0]=4 135 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,1,0,0,0,0|1,1,0]=4 136 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|1,0,0]=3 137 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,1,0,0,0,0|1,1,0]=4 138 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,1,0,0,0,0|2,0,0]=4 139 B5R0.2 CC\C=C/CO HY-W030347 [1,1,0,0,0,0|0,1,0]=3 140 B5R0.2 CC\C=C\C=O HY-W111375 [1,1,0,0,0,0|0,1,1]=4 141 B5R0.2 OC\C=C/CO HY-W027631 [1,1,0,0,0,0|0,1,0]=3 142 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,2,0,0,0,0|2,0,0]=4 143 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,2,0,0,0,0|2,0,0]=4 145 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,2,0,0,0,0|2,0,0]=4 148 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,1,0,0|2,0,0]=4 149 B5R1.2 O=C1COC1 HY-76440 [1,0,0,1,0,0|1,1,0]=4 150 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,1,0,0|0,1,1]=4 152 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,1,0,0|1,1,0]=4 153 B7R1.3 O=C1CCSCC1 HY-W002007 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.4 CC1=CNN=C1C HY-W019334 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.4 CN1SC=CC1=O HY-W010243 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.4 CN1SC=CC1=O HY-W010520 [0,1,0,1,0,0|1,0,1]=4