0 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 N=C1CCCS1 HY-W015798 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,0,0,0|0,0,2]=2 4 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,0,0,0|1,0,2]=3 5 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.2 O=C1NCCN1 HY-W031536 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,0,0,0|1,0,2]=3 9 B6R1.2 SC1=NCCN1 HY-W010593 [0,0,0,0,0,0|2,1,0]=3 10 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,0,0,0|2,0,1]=4 11 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,1,0,0,0,0|1,0,2]=4 12 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,0,0,0|0,0,2]=3 14 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,0,0,0|1,0,2]=4 15 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,1,0,0,0,0|0,0,1]=2 18 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,1,0,0,0,0|1,0,1]=3 19 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,1,0,0,0,0|1,0,1]=3 20 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.4 CN1CCNC1=O HY-W005507 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,1,0,0,0,0|2,0,0]=3 29 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,0,0,0|1,0,0]=2 30 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [0,1,0,0,0,0|1,0,2]=4 32 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.14 FC1(F)CCNC1 HY-W001466 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.14 O=S1(=O)CCCN1 HY-W001194 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.1 C#CCC(=O)O HY-W004784 [0,0,1,0,0,0|1,0,2]=4 36 B5R0.1 C=CCC(=O)O HY-W068697 [0,0,1,0,0,0|1,0,2]=4 37 B5R0.1 CC(=O)CCO HY-W051287 [0,0,1,0,0,0|1,0,0]=2 38 B5R0.1 CC(=O)NCO HY-W024564 [0,0,1,0,0,0|2,0,0]=3 39 B5R0.1 CC(C)=CCO HY-W013035 [0,0,1,0,0,0|2,0,1]=4 40 B5R0.1 CC(O)CCO HY-77490A [0,0,1,0,0,0|1,0,2]=4 41 B5R0.1 CCCB(O)O HY-W007470 [0,0,1,0,0,0|2,0,1]=4 42 B5R0.1 CCCC(N)=O HY-W088319 [0,0,1,0,0,0|1,0,0]=2 43 B5R0.1 CCOC(N)=O HY-B1207 [0,0,1,0,0,0|2,0,0]=3 44 B5R0.1 CCOC(N)=O HY-B1207R [0,0,1,0,0,0|2,0,0]=3 45 B5R0.1 CCSC(=N)N HY-101252 [0,0,1,0,0,0|3,0,0]=4 46 B5R0.1 CNCC(=O)O HY-101037 [0,0,1,0,0,0|2,0,0]=3 47 B5R0.1 CNCC(=O)O HY-101037R [0,0,1,0,0,0|2,0,0]=3 48 B5R0.1 COCC(=O)O HY-Y1009 [0,0,1,0,0,0|2,0,0]=3 49 B5R0.1 C[C@@H](O)CCO HY-77490 [0,0,1,0,0,0|1,0,2]=4 50 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,0,1,0,0,0|1,0,2]=4 51 B5R0.1 NCCC(=O)O HY-N0230 [0,0,1,0,0,0|2,0,0]=3 52 B5R0.1 NCCS(=O)O HY-100803 [0,0,1,0,0,0|3,0,0]=4 53 B5R0.1 NOCC(=O)O HY-107994 [0,0,1,0,0,0|3,0,0]=4 54 B5R0.2 C#CCCCO HY-W010642 [0,0,1,0,0,0|2,0,1]=4 55 B5R0.2 CCCSSC HY-N7436 [0,0,1,0,0,0|3,0,0]=4 56 B5R0.2 CCSCCCl HY-W199190 [0,0,1,0,0,0|2,0,1]=4 57 B5R0.2 CC\C=C\C=O HY-W111375 [0,0,1,0,0,0|0,0,2]=3 58 B5R0.2 NCCCCO HY-W002041 [0,0,1,0,0,0|1,0,2]=4 59 B5R0.3 CCC(=O)CO HY-W005327 [0,0,1,0,0,0|1,0,0]=2 60 B5R0.3 CCC(=O)O[Na] HY-B1773A [0,0,1,0,0,0|2,0,0]=3 61 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [0,0,1,0,0,0|2,0,0]=3 62 B5R0.3 CNC(=S)NC HY-W027951 [0,0,1,0,0,0|2,1,0]=4 63 B5R0.3 COC(=O)CN HY-Y1789 [0,0,1,0,0,0|2,0,0]=3 64 B5R0.3 NCC(=O)O[Na] HY-W015946 [0,0,1,0,0,0|3,0,0]=4 65 B5R0.3 O=C(CI)O[Na] HY-D0849 [0,0,1,0,0,0|3,0,0]=4 66 B5R0.3 O=C(CO)CO HY-Y0335 [0,0,1,0,0,0|2,0,0]=3 67 B5R0.3 O=C(CO)O[Na] HY-W088011B [0,0,1,0,0,0|3,0,0]=4 68 B5R0.3 O=C(CS)O[Na] HY-W115724 [0,0,1,0,0,0|3,0,0]=4 69 B5R1.2 FC1CNC1 HY-W001606 [0,0,0,0,1,0|2,0,1]=4 70 B5R1.2 IC1COC1 HY-W016306 [0,0,0,0,1,0|2,0,1]=4 71 B5R1.2 O=C1CCO1 HY-107931 [0,0,0,0,1,0|1,0,0]=2 72 B5R1.2 O=C1COC1 HY-76440 [0,0,0,0,1,0|1,0,0]=2 73 B5R1.2 OC1CCC1 HY-W013042 [0,0,0,0,1,0|0,0,2]=3 74 B5R1.2 OC1CNC1 HY-40144 [0,0,0,0,1,0|1,0,2]=4 75 B7R1.3 BrC1CCOCC1 HY-W003396 [0,0,0,0,0,1|1,0,1]=3 76 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,0,0,0,1|2,0,1]=4 77 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,0,0,0,0,1|2,0,1]=4 78 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,0,0,1|0,0,2]=3 79 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,0,0,1|0,0,0]=1 80 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,0,0,1|0,0,0]=1 81 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,0,0,1|0,0,0]=1 82 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,0,0,1|0,0,0]=1 83 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,0,0,1|1,0,0]=2 84 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,0,0,1|0,0,2]=3 85 B4R0.1 CC(=O)C=O HY-W020014 [1,0,1,0,0,0|1,0,1]=4 86 B4R0.1 CC(=O)CO HY-Y1366 [1,0,1,0,0,0|1,0,0]=3 87 B4R0.1 CC(=O)NBr HY-131899 [1,0,1,0,0,0|2,0,0]=4 88 B4R0.1 CC(=O)NO HY-B1235 [1,0,1,0,0,0|2,0,0]=4 89 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,1,0,0,0|2,0,0]=4 90 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,1,0,0,0|2,0,0]=4 91 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,1,0,0,0|0,0,2]=4 92 B4R0.1 COC(N)=O HY-Y1401 [1,0,1,0,0,0|2,0,0]=4 93 B4R0.1 NC(=O)CBr HY-W007330 [1,0,1,0,0,0|2,0,0]=4 94 B4R0.1 NC(=O)CCl HY-W010629 [1,0,1,0,0,0|2,0,0]=4 95 B4R0.1 NC(=O)CI HY-34477 [1,0,1,0,0,0|2,0,0]=4 96 B4R0.1 NCC(=O)O HY-Y0966 [1,0,1,0,0,0|2,0,0]=4 97 B4R0.1 NCC(=O)O HY-Y0966R [1,0,1,0,0,0|2,0,0]=4 98 B4R0.1 NCC(N)=O HY-Y1123 [1,0,1,0,0,0|2,0,0]=4 99 B4R0.1 NC[13C](=O)O HY-Y0966S4 [1,0,1,0,0,0|2,0,0]=4 100 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [1,0,1,0,0,0|2,0,0]=4 101 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [1,0,1,0,0,0|2,0,0]=4 102 B4R0.1 O=C(O)CO HY-W015967 [1,0,1,0,0,0|2,0,0]=4 103 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [1,0,1,0,0,0|2,0,0]=4 104 B4R0.2 BrCCCBr HY-Y1806 [1,0,1,0,0,0|2,0,0]=4 105 B4R0.2 C=CCCN HY-W019321 [1,0,1,0,0,0|1,0,1]=4 106 B4R0.2 C=CCSC HY-128447 [1,0,1,0,0,0|1,0,1]=4 107 B4R0.2 CNCCO HY-Y1783 [1,0,1,0,0,0|1,0,1]=4 108 B4R0.2 COCCO HY-139415 [1,0,1,0,0,0|1,0,1]=4 109 B4R0.2 NCCCO HY-Y0139 [1,0,1,0,0,0|1,0,1]=4 110 B4R0.2 O=CCCO HY-N8461 [1,0,1,0,0,0|1,0,0]=3 111 B4R0.2 OCCCBr HY-W007337 [1,0,1,0,0,0|1,0,1]=4 112 B4R0.2 OCCCO HY-W017758 [1,0,1,0,0,0|1,0,1]=4 113 B4R0.2 OCCCS HY-W090210 [1,0,1,0,0,0|1,0,1]=4 114 B6R0.1 C=CCC(=O)OC HY-W105369 [0,1,1,0,0,0|0,0,2]=4 115 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,1,1,0,0,0|1,0,0]=3 116 B6R0.1 CCOC(=O)CN HY-76204 [0,1,1,0,0,0|1,0,0]=3 117 B6R0.1 COC(=O)CCN HY-W007648 [0,1,1,0,0,0|1,0,0]=3 118 B6R0.1 COC(=O)CCO HY-42569 [0,1,1,0,0,0|1,0,0]=3 119 B6R0.1 COC(=O)OCCl HY-43384 [0,1,1,0,0,0|2,0,0]=4 120 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,1,1,0,0,0|2,0,0]=4 121 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,1,1,0,0,0|0,0,2]=4 122 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,1,1,0,0,0|1,0,0]=3 123 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,1,1,0,0,0|1,0,0]=3 124 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,1,1,0,0,0|1,0,0]=3 125 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,1,1,0,0,0|1,0,0]=3 126 B6R0.2 CC(N)CN(C)C HY-32007 [0,1,1,0,0,0|2,0,0]=4 127 B6R0.2 CC(N)CN(C)C HY-32007A [0,1,1,0,0,0|2,0,0]=4 128 B6R0.2 CC(O)CC(=O)O HY-113378 [0,1,1,0,0,0|1,0,0]=3 129 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,1,1,0,0,0|2,0,0]=4 130 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,1,1,0,0,0|2,0,0]=4 131 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,1,1,0,0,0|2,0,0]=4 132 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,1,1,0,0,0|1,0,0]=3 133 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,1,1,0,0,0|1,0,0]=3 134 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,1,1,0,0,0|1,0,0]=3 135 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,1,1,0,0,0|2,0,0]=4 136 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,1,1,0,0,0|2,0,0]=4 137 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,1,1,0,0,0|2,0,0]=4 138 B6R0.3 CC(CO)C(=O)O HY-113126 [0,1,1,0,0,0|2,0,0]=4 139 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,1,1,0,0,0|1,0,1]=4 140 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,1,1,0,0,0|1,0,1]=4 141 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,1,1,0,0,0|0,0,1]=3 142 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,1,1,0,0,0|1,0,0]=3 143 B6R0.3 CCC(O)C(=O)O HY-113381 [0,1,1,0,0,0|1,0,0]=3 144 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,1,1,0,0,0|1,0,0]=3 145 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,1,1,0,0,0|1,0,0]=3 146 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,1,1,0,0,0|1,0,0]=3 147 B6R0.3 CON(C)C(C)=O HY-W001095 [0,1,1,0,0,0|2,0,0]=4 148 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,1,1,0,0,0|2,0,0]=4 149 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,1,1,0,0,0|2,0,0]=4 150 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,1,1,0,0,0|2,0,0]=4 151 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,1,1,0,0,0|2,0,0]=4 152 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,1,1,0,0,0|2,0,0]=4 153 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,1,1,0,0,0|2,0,0]=4 154 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,1,1,0,0,0|2,0,0]=4 155 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,1,1,0,0,0|2,0,0]=4 156 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,1,1,0,0,0|2,0,0]=4 157 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,1,1,0,0,0|2,0,0]=4 158 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,1,1,0,0,0|2,0,0]=4 159 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,1,1,0,0,0|2,0,0]=4 160 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,1,1,0,0,0|2,0,0]=4 161 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,1,1,0,0,0|2,0,0]=4 162 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,1,1,0,0,0|2,0,0]=4 163 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,1,1,0,0,0|2,0,0]=4 164 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,1,1,0,0,0|2,0,0]=4 165 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,1,1,0,0,0|2,0,0]=4 166 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,1,1,0,0,0|2,0,0]=4 167 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,1,1,0,0,0|2,0,0]=4 168 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,1,1,0,0,0|2,0,0]=4 169 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,1,1,0,0,0|2,0,0]=4 170 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,1,1,0,0,0|2,0,0]=4 171 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,1,1,0,0,0|2,0,0]=4 172 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,1,1,0,0,0|2,0,0]=4 173 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,1,1,0,0,0|2,0,0]=4 174 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,1,1,0,0,0|1,0,0]=3 175 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,1,1,0,0,0|2,0,0]=4 176 B6R0.4 C=CCCC(=O)O HY-Y0624 [0,1,1,0,0,0|1,0,1]=4 177 B6R0.4 CC(C)CCCO HY-W007511 [0,1,1,0,0,0|1,0,1]=4 178 B6R0.4 CCCCC(N)=O HY-W144037 [0,1,1,0,0,0|1,0,0]=3 179 B6R0.4 CCNCC(=O)O HY-W141879 [0,1,1,0,0,0|1,0,0]=3 180 B6R0.4 CCOCC(=O)O HY-W027555 [0,1,1,0,0,0|1,0,0]=3 181 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,1,1,0,0,0|1,0,1]=4 182 B6R0.4 CN(C)CCCCl HY-W018789 [0,1,1,0,0,0|2,0,0]=4 183 B6R0.4 CSCCC(=O)O HY-101401 [0,1,1,0,0,0|1,0,0]=3 184 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,1,1,0,0,0|1,0,1]=4 185 B6R0.4 NCCCC(=O)O HY-N0067 [0,1,1,0,0,0|1,0,0]=3 186 B6R0.4 NCCCC(=O)O HY-N0067R [0,1,1,0,0,0|1,0,0]=3 187 B6R0.5 CCC[N+](C)(C)C HY-W099930 [0,1,1,0,0,0|2,0,0]=4 188 B6R0.5 CCOS(C)(=O)=O HY-W015854 [0,1,1,0,0,0|2,0,0]=4 189 B6R0.6 C(CO)=CCCC HY-W015936 [0,1,1,0,0,0|0,0,2]=4 190 B6R0.6 C=CCCCCO HY-W012995 [0,1,1,0,0,0|1,0,0]=3 191 B6R0.6 CCCCCCO HY-W032022 [0,1,1,0,0,0|0,0,2]=4 192 B6R0.6 CCC\C=C\C=O HY-128429 [0,1,1,0,0,0|0,0,1]=3 193 B6R0.6 NCCCCCN HY-W016750 [0,1,1,0,0,0|1,0,1]=4 194 B6R0.6 NCCCCCO HY-W012971 [0,1,1,0,0,0|0,0,2]=4 195 B6R0.9 CCN(CC)N=O HY-N7434 [0,1,1,0,0,0|1,0,0]=3 196 B8R1.2 OCC1CCCCO1 HY-115051 [0,1,0,0,0,1|0,0,2]=4 197 B8R1.2 OCC1CCOCC1 HY-79631 [0,1,0,0,0,1|0,0,2]=4 198 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,1,0,0,0,1|0,0,2]=4 199 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,1,0,0,0,1|1,0,1]=4 200 B8R1.3 NC1CCC(N)CC1 HY-W007732B [0,1,0,0,0,1|1,0,1]=4 201 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,1,0,0,0,1|0,0,2]=4 202 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,1,0,0,0,1|0,0,0]=2 203 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,1,0,0,0,1|1,0,1]=4 204 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,0,0,1|1,0,0]=3 205 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,0,0,1|0,0,0]=2 206 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,0,0,1|0,0,1]=3 207 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,1,0,0,0,1|1,0,1]=4 208 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,1,0,0,0,1|1,0,1]=4 209 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,0,0,1|0,0,0]=2 210 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,0,0,1|0,0,0]=2 211 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [0,1,0,0,0,1|1,0,1]=4 212 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,0,0,1|0,0,0]=2 213 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,0,0,1|0,0,0]=2 214 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [0,1,0,0,0,1|0,0,2]=4 215 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.72 C[N+]1([O-])CCOCC1 HY-Y1101B [0,1,0,0,0,1|1,0,1]=4 217 B8R1.72 FC1(F)CCNCC1 HY-W001440 [0,1,0,0,0,1|1,0,1]=4 218 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,2,0,0,0,0|1,0,0]=3 219 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,2,0,0,0,0|1,0,1]=4 220 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,2,0,0,0,0|1,0,1]=4 221 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,2,0,0,0,0|1,0,1]=4 222 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,2,0,0,0,0|0,0,1]=3 223 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,2,0,0,0,0|1,0,1]=4 224 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,2,0,0,0,0|1,0,1]=4 225 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,2,0,0,0,0|1,0,1]=4 226 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,2,0,0,0,0|1,0,1]=4 227 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,2,0,0,0,0|1,0,1]=4 228 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,2,0,0,0,0|1,0,1]=4 229 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,2,0,0,0,0|1,0,1]=4 230 B8R1.7 OB(O)C1=CCCC1 HY-W000981 [0,2,0,0,0,0|0,0,2]=4 231 B8R1.7 OB(O)C1CCCC1 HY-W000955 [0,2,0,0,0,0|0,0,2]=4 232 B8R1.7 S=C(S)N1CCCC1 HY-18738 [0,2,0,0,0,0|1,1,0]=4 233 B8R1.8 OCCN1CCCC1 HY-W010519 [0,2,0,0,0,0|1,0,1]=4 234 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,2,0,0,0,0|1,0,0]=3 235 B8R1.11 CCN1CCCC1=O HY-B1620 [0,2,0,0,0,0|1,0,0]=3 236 B8R1.11 CCN1CCCC1=O HY-B1620B [0,2,0,0,0,0|1,0,0]=3 237 B8R1.11 CCN1CCCC1=O HY-B1620H [0,2,0,0,0,0|1,0,0]=3 238 B8R1.11 CCN1CCCC1=O HY-B1620I [0,2,0,0,0,0|1,0,0]=3 239 B8R1.11 CCN1CCCC1=O HY-B1620J [0,2,0,0,0,0|1,0,0]=3 240 B8R1.11 CCN1CCCC1=O HY-B1620L [0,2,0,0,0,0|1,0,0]=3 241 B8R1.11 CCN1CCCC1=O HY-B1620O [0,2,0,0,0,0|1,0,0]=3 242 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [0,2,0,0,0,0|2,0,0]=4 243 B8R1.52 CC[N+]1(C)CCCC1 HY-W127700 [0,2,0,0,0,0|2,0,0]=4 244 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,2,0,0,0,0|1,0,1]=4 245 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [0,2,0,0,0,0|1,0,0]=3 246 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [0,2,0,0,0,0|1,0,1]=4 247 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [0,2,0,0,0,0|1,0,1]=4 248 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [0,2,0,0,0,0|1,0,1]=4 249 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,2,0,0,0,0|1,0,1]=4 250 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,2,0,0,0,0|1,0,0]=3 251 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,2,0,0,0,0|0,0,2]=4 252 B6R1.11 NC(=O)C1CO1 HY-119329 [0,0,1,1,0,0|2,0,0]=4 253 B6R1.11 O=C(O)C1CC1 HY-Y0001 [0,0,1,1,0,0|1,0,0]=3 254 B4R1.1 C1CNC1 HY-W010628 [1,0,0,0,1,0|1,0,0]=3 255 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,0,0,2|0,0,0]=2 256 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,0,0,2|0,0,0]=2 257 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,0,0,2|0,0,0]=2 258 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,0,0,2|0,0,0]=2