0 B6R0.1 C=CCC(=O)OC HY-W105369 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCOC(=O)CN HY-76204 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 COC(=O)CCN HY-W007648 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 COC(=O)CCO HY-42569 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 COC(=O)OCCl HY-43384 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(C)=CC=O HY-34409 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.2 CCCSSC HY-N7436 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.2 OC\C=C/CO HY-W027631 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,0,0,0,0,0|2,0,0]=3 24 B5R0.3 CCC(C)C=O HY-W020678 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 CNC(=S)NC HY-W027951 [1,0,0,0,0,0|2,1,0]=4 27 B5R0.3 COC(=O)CN HY-Y1789 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 NCC(=O)O[Na] HY-W015946 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.3 O=C(CI)O[Na] HY-D0849 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.3 O=C(CO)CO HY-Y0335 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,0,0,0,0,0|3,0,0]=4 32 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,1,0,0,0,0|2,0,1]=4 39 B7R0.3 COC(=O)CCCBr HY-W004701 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.3 COC(=O)CCCN HY-79594 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.1 CCN1C=CC=N1 HY-Z1094 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.1 OCC1=CC=CS1 HY-34751 [0,0,0,1,0,0|1,1,1]=4 51 B7R1.1 OCC1=COC=C1 HY-W007708 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,0|0,0,0]=1 53 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,0|1,0,1]=3 56 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|1,0,1]=3 57 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,0|1,0,1]=3 58 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,1,0,0|1,0,1]=3 66 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,1,0,0|1,0,1]=3 67 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,1,0,0|1,0,2]=4 68 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,1,0,0|1,0,2]=4 69 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|1,0,2]=4 71 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.4 CN1SC=CC1=O HY-W010243 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.4 CN1SC=CC1=O HY-W010520 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.4 NC1CCSC1=O HY-101404 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,0,0,1,0,0|3,0,0]=4 77 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|2,0,1]=4 78 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|2,0,1]=4 80 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|1,0,0]=3 81 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|1,0,0]=3 82 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|1,0,0]=3 83 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 C=CC(N)=O HY-W115727 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 C=CC(N)=O HY-W115727A [2,0,0,0,0,0|1,0,0]=3 87 B4R0.1 C=CC(N)=O HY-W115727B [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|2,0,0]=4 93 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|2,0,0]=4 94 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,0,2]=4 95 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 98 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|2,0,0]=4 101 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|2,0,0]=4 108 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,1,0,0,0,0|0,0,0]=2 111 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,1,0,0,0,0|1,0,1]=4 115 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|0,0,1]=3 116 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,1,0,0,0,0|1,0,0]=3 118 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.6 C(CO)=CCCC HY-W015936 [1,1,0,0,0,0|0,0,1]=3 122 B6R0.6 CCC\C=C\C=O HY-128429 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.6 CC\C=C/CCO HY-W010607 [1,1,0,0,0,0|0,0,1]=3 124 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,1,0,0,0,0|0,0,1]=3 125 B6R0.9 CCN(CC)N=O HY-N7434 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,2,0,0,0,0|2,0,0]=4 127 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,2,0,0,0,0|0,0,0]=2 129 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,2,0,0,0,0|1,0,1]=4 130 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|0,0,1]=3 131 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,2,0,0,0,0|0,0,2]=4 132 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,2,0,0,0,0|1,0,1]=4 133 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,2,0,0,0,0|0,0,2]=4 134 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,2,0,0,0,0|0,0,1]=3 135 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,2,0,0,0,0|1,0,1]=4 136 B8R0.19 O=C(CI)OC(=O)CI HY-W686605 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,2,0,0,0,0|0,0,2]=4 138 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|1,0,0]=3 140 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,2,0,0,0,0|0,0,2]=4 141 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|1,0,1]=4 142 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,2,0,0,0,0|1,0,0]=3 143 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,2,0,0,0,0|1,0,1]=4 146 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,1,0,0|0,1,1]=4 147 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,1,0,0|2,0,0]=4 148 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,0]=2 149 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|1,0,0]=3 150 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,1]=4 151 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,1,0,1,0,0|1,0,1]=4 153 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|0,0,2]=4 155 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|0,0,1]=3 156 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,1,0,0|0,0,0]=2 160 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.18 CN1CC(=O)N=C1N HY-B0504 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.18 CN1CC(=O)N=C1N HY-B0504R [0,1,0,1,0,0|2,0,0]=4 165 B8R1.18 CN1CC(=O)NC1=O HY-113382 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.18 CN1SC(Cl)=CC1=O HY-W017982 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,1,0,1,0,0|0,0,2]=4 169 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|0,0,2]=4 171 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,1,0,0|1,0,1]=4 173 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|0,0,1]=3 174 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,1,0,1,0,0|0,0,2]=4 175 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,1,0,0|0,0,2]=4 176 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,1,0,0|0,0,2]=4 177 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,1,0,1,0,0|0,0,2]=4 178 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,1,0,0|1,0,0]=3 179 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,1,0,1,0,0|1,0,1]=4 184 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,1,0,0|0,0,2]=4 185 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,1,0,0|0,0,2]=4 186 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,1,0,0|0,0,2]=4 187 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,1,0,0|0,0,2]=4 188 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,1,0,0|0,0,2]=4 189 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,1,0,0|0,0,2]=4 190 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,1,0,0|0,0,2]=4