0 B6R0.1 C=CCC(=O)OC HY-W105369 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 CCOC(=O)CN HY-76204 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 COC(=O)CCN HY-W007648 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.1 COC(=O)CCO HY-42569 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.1 COC(=O)OCCl HY-43384 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 N#CCC(=O)NN HY-B0994 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|0,0,2]=3 9 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|0,0,2]=3 10 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CCCB(O)O HY-W007470 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CCSC(=N)N HY-101252 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|0,0,2]=3 24 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 NCCS(=O)O HY-100803 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.2 CCCSSC HY-N7436 [1,0,0,0,0,0|1,1,0]=3 28 B5R0.2 CCSCCCl HY-W199190 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,0,0,0,0,0|1,0,0]=2 33 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,0,0,0,0,0|1,0,0]=2 34 B5R0.3 CNC(=S)NC HY-W027951 [1,0,0,0,0,0|2,1,0]=4 35 B5R0.3 COC(=O)CN HY-Y1789 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.3 NCC(=O)O[Na] HY-W015946 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.3 O=C(CI)O[Na] HY-D0849 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.3 O=C(CO)CO HY-Y0335 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,0,0,0,0,0|2,0,0]=3 40 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,1,0,0,0,0|1,0,1]=3 42 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,0|0,0,1]=2 45 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.2 [2H]OC(=O)CN([2H])[2H] HY-Y0966S10 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,0|0,0,0]=1 49 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,0|0,0,0]=1 50 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,1,0,0,0,0|1,0,1]=3 51 B7R0.3 CCCCC(=O)NN HY-W012890 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.3 COC(=O)CCCBr HY-W004701 [0,1,0,0,0,0|0,0,0]=1 53 B7R0.3 COC(=O)CCCN HY-79594 [0,1,0,0,0,0|0,0,0]=1 54 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,1,0,0,0,0|0,0,2]=3 55 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,1,0,0,0,0|1,0,0]=2 67 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.10 NC(CO)C(=O)NO HY-131894 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.11 CCCS(=O)(=O)O[Na] HY-W097000 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.11 O=S(=O)(CCBr)O[Na] HY-W014355 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.11 O=S(=O)(CCO)O[Na] HY-Y1173 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.11 O=S(=O)(CCS)O[Na] HY-13679 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,1,0,0|1,0,0]=2 84 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,1,0,0|0,0,0]=1 85 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.4 NC1CCSC1=O HY-101404 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|3,0,0]=4 93 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|3,0,0]=4 94 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|0,0,2]=4 95 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|0,0,2]=4 96 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|0,0,2]=4 97 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|0,0,2]=4 98 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|0,0,2]=4 99 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|1,0,0]=3 104 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|1,0,0]=3 105 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,0,2]=4 106 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|1,0,0]=3 107 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|1,0,0]=3 111 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|1,0,0]=3 112 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.1 O=C(O)[Ba]O HY-Y0827 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 O=C(O)[Ca]O HY-W243408C [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 O=C([Zn])OO HY-B1818 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.1 O=[13C](O)O[Na] HY-W251598S [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|1,0,0]=3 123 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|1,0,0]=3 128 B4R0.2 NCCCO HY-Y0139 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,0]=3 130 B4R0.2 OCCCBr HY-W007337 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,1,0,0,0,0|0,0,2]=4 134 B6R0.2 CC(C)CB(O)O HY-W000978 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|0,0,0]=2 136 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|0,0,0]=2 138 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|0,0,0]=2 139 B6R0.2 CC(N)CN(C)C HY-32007 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.2 CC(N)CN(C)C HY-32007A [1,1,0,0,0,0|2,0,0]=4 141 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|0,0,0]=2 142 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|1,0,0]=3 144 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|1,0,0]=3 145 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|0,0,0]=2 146 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|0,0,0]=2 147 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|0,0,0]=2 148 B6R0.3 CC(CBr)C(=O)O HY-W015332 [1,1,0,0,0,0|1,0,0]=3 149 B6R0.3 CC(CN)C(=O)O HY-W012974 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.3 CC(CN)C(=O)O HY-W012974R [1,1,0,0,0,0|1,0,0]=3 151 B6R0.3 CC(CO)C(=O)O HY-113126 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,1,0,0,0,0|0,0,1]=3 153 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,1,0,0,0,0|0,0,1]=3 154 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|0,0,1]=3 155 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,1,0,0,0,0|0,0,0]=2 156 B6R0.3 CCC(O)C(=O)O HY-113381 [1,1,0,0,0,0|0,0,0]=2 157 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,1,0,0,0,0|0,0,0]=2 158 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,1,0,0,0,0|0,0,0]=2 160 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,1,0,0,0,0|0,0,2]=4 164 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.3 NC(CO)C(=O)O HY-Y0507 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.3 NC(CS)C(=O)O HY-W013651 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.3 NC(CS)C(=O)O HY-W016716 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.3 NCC(N)C(=O)O HY-W013674 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [1,1,0,0,0,0|1,0,0]=3 170 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [1,1,0,0,0,0|1,0,0]=3 172 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [1,1,0,0,0,0|1,0,0]=3 175 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [1,1,0,0,0,0|1,0,0]=3 178 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [1,1,0,0,0,0|1,0,0]=3 180 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [1,1,0,0,0,0|1,0,0]=3 181 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.3 O=C(O)C(=O)CBr HY-19992 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.3 O=C(O)C(O)CO HY-W018035 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,1,0,0,0,0|0,0,0]=2 190 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|0,0,1]=3 192 B6R0.4 CC(C)CCCO HY-W007511 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.4 CCCCB(O)O HY-W000932 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.4 CCCCC(N)=O HY-W144037 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|0,0,0]=2 196 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|0,0,0]=2 197 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|0,0,1]=3 198 B6R0.4 CN(C)CCCCl HY-W018789 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|0,0,0]=2 200 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|0,0,1]=3 201 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|0,0,0]=2 202 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|0,0,0]=2 203 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|0,0,2]=4 204 B6R0.4 O=CNCC(=O)O HY-128735 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.5 CCC[N+](C)(C)C HY-W099930 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.5 CCOS(C)(=O)=O HY-W015854 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.5 NCCP(=O)(O)O HY-W006371 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.5 NCCS(=O)(=O)O HY-B0351R [1,1,0,0,0,0|2,0,0]=4 210 B6R0.5 O=P(O)(O)CCCl HY-W131845 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.5 O=S(=O)(O)CCO HY-Y0095 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.6 C(CO)=CCCC HY-W015936 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.6 CCCCCCO HY-W032022 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.6 CCC\C=C\C=O HY-128429 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.6 CC\C=C/CCO HY-W010607 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.9 CCN(CC)N=O HY-N7434 [1,1,0,0,0,0|2,0,0]=4 217 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,2,0,0,0,0|1,0,1]=4 218 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,2,0,0,0,0|2,0,0]=4 220 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [0,2,0,0,0,0|0,0,0]=2 221 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [0,2,0,0,0,0|0,0,0]=2 222 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [0,2,0,0,0,0|0,0,0]=2 223 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,2,0,0,0,0|1,0,1]=4 224 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [0,2,0,0,0,0|0,0,0]=2 225 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,2,0,0,0,0|0,0,2]=4 226 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|0,0,1]=3 228 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,2,0,0,0,0|0,0,0]=2 229 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,2,0,0,0,0|0,0,0]=2 231 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,2,0,0,0,0|0,0,0]=2 233 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,2,0,0,0,0|0,0,1]=3 234 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,2,0,0,0,0|2,0,0]=4 236 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,2,0,0,0,0|0,0,0]=2 237 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,2,0,0,0,0|1,0,1]=4 238 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|0,0,0]=2 239 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,2,0,0,0,0|0,0,0]=2 240 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,2,0,0,0,0|0,0,2]=4 243 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,2,0,0,0,0|0,0,0]=2 245 B8R0.25 CCCCS(=O)(=O)O[Na] HY-W017224 [0,2,0,0,0,0|2,0,0]=4 246 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,1,0,0|2,0,0]=4 247 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,1,0,0|1,1,0]=4 248 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,2]=4 249 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|0,0,2]=4 250 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,0]=3 251 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,0]=3 252 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.11 NC(=O)C1CO1 HY-119329 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|0,0,0]=2 255 B6R1.11 OB(O)C1CC1 HY-59219 [1,0,0,1,0,0|1,0,1]=4 256 B6R1.6 OCC1COC1 HY-W004925 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|0,0,1]=3 263 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.2 OCC1CCCCO1 HY-115051 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,1,0,0|1,0,0]=3 269 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,1,0,0|0,0,0]=2 272 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,1,0,0|0,0,0]=2 273 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.38 COC(=O)C1CNC1 HY-33615 [0,1,0,1,0,0|0,0,0]=2 275 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,1,0,1,0,0|1,0,1]=4 278 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,1,0,0|1,0,0]=3 280 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,1,0,0|1,0,0]=3 281 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,1,0,0|1,0,0]=3 282 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,1,0,0|1,0,0]=3 283 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,1,0,0|1,0,0]=3 284 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,1,0,0|1,0,0]=3 285 B8R1.39 COC(=O)C1(N)CC1 HY-W008219 [0,1,0,1,0,0|0,0,0]=2