0 B6R1.2 BrC1CCCC1 LL0590 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.2 CC1=NCCC1 XJ1415 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 CC1=NCCN1 LL0953 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 CC1=NCCO1 XJ1609 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 CC1CCCC1 LL0238 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 CC1CCCN1 XJ1351 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 CC1CCCO1 YH65006 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 CC1CCCS1 XJ1945 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 CC1CCNC1 YH66261 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 CC1N=CCS1 LT2114 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 CC1SCCS1 JZ2801 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 C[C@@H]1CCCN1 JZ0867 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 C[C@H]1CCCN1 HL3677 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 C[C@H]1CCNC1 YH66267 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 ClC1C=CCC1 LL0239 [0,0,0,0,0,0|1,0,2]=3 15 B6R1.2 ClC1CCCC1 LT4693 [0,0,0,0,0,0|1,0,0]=1 16 B6R1.2 NC1=NCCN1 RT4092 [0,0,0,0,0,0|3,0,1]=4 17 B6R1.2 NC1=NCCS1 XJ1926 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 NC1CC=CC1 YH95418 [0,0,0,0,0,0|1,0,2]=3 19 B6R1.2 NC1CCCC1 LT4694 [0,0,0,0,0,0|1,0,0]=1 20 B6R1.2 NC1CCNC1 LL1803 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 NC1CCNC1 YH29002 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 N[C@@H]1CCNC1 JZ0225 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 N[C@@H]1CCOC1 CJ2199 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 N[C@H]1CCNC1 JZ0221 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.2 N[C@H]1CCNC1 LT6128 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 N[C@H]1CCOC1 XJ6762 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 O=C1C=CCC1 LQ1544 [0,0,0,0,0,0|0,1,3]=4 28 B6R1.2 O=C1CCCN1 RT14155 [0,0,0,0,0,0|1,1,1]=3 29 B6R1.2 O=C1CCCO1 YH98377 [0,0,0,0,0,0|1,1,1]=3 30 B6R1.2 O=C1CCCS1 HL0571 [0,0,0,0,0,0|1,1,1]=3 31 B6R1.2 O=C1CCNC1 HL2616 [0,0,0,0,0,0|1,1,1]=3 32 B6R1.2 O=C1CCNC1 YH98366 [0,0,0,0,0,0|1,1,1]=3 33 B6R1.2 O=C1CCOC1 LQ4327 [0,0,0,0,0,0|1,1,1]=3 34 B6R1.2 O=C1CCSC1 JZ1778 [0,0,0,0,0,0|1,1,1]=3 35 B6R1.2 O=C1NCCN1 RT14939 [0,0,0,0,0,0|2,1,1]=4 36 B6R1.2 O=C1NCCO1 LT6610 [0,0,0,0,0,0|2,1,1]=4 37 B6R1.2 O=C1NCCS1 XJ2235 [0,0,0,0,0,0|2,1,1]=4 38 B6R1.2 O=C1OCCO1 LL0243 [0,0,0,0,0,0|2,1,1]=4 39 B6R1.2 O=S1OCCO1 HL2604 [0,0,0,0,0,0|3,1,0]=4 40 B6R1.2 OC1CC=CC1 XJ4083 [0,0,0,0,0,0|0,1,2]=3 41 B6R1.2 OC1CCCO1 RT17572 [0,0,0,0,0,0|1,1,0]=2 42 B6R1.2 OC1CCNC1 HL4806 [0,0,0,0,0,0|1,1,0]=2 43 B6R1.2 OC1CCOC1 XJ0812 [0,0,0,0,0,0|1,1,0]=2 44 B6R1.2 O[C@@H]1CCNC1 HL2373 [0,0,0,0,0,0|1,1,0]=2 45 B6R1.2 O[C@@H]1CCNC1 JZ0855 [0,0,0,0,0,0|1,1,0]=2 46 B6R1.2 O[C@@H]1CCOC1 HL4808 [0,0,0,0,0,0|1,1,0]=2 47 B6R1.2 O[C@@H]1CCSC1 LT5798 [0,0,0,0,0,0|1,1,0]=2 48 B6R1.2 O[C@H]1CCNC1 JZ0222 [0,0,0,0,0,0|1,1,0]=2 49 B6R1.2 O[C@H]1CCNC1 XJ6747 [0,0,0,0,0,0|1,1,0]=2 50 B6R1.2 O[C@H]1CCOC1 HL4807 [0,0,0,0,0,0|1,1,0]=2 51 B6R1.2 O[C@H]1CCSC1 LT5717 [0,0,0,0,0,0|1,1,0]=2 52 B6R1.2 S=C1NCCN1 XJ3807 [0,0,0,0,0,0|2,0,2]=4 53 B6R1.2 SC1CCCC1 LQ1887 [0,0,0,0,0,0|0,0,0]=0 54 B6R1.2 [Fe]C1CCCC1 HL0728 [0,0,0,0,0,0|1,0,0]=1 55 B6R1.2 [Fe]C1CCCC1 XJ1696 [0,0,0,0,0,0|1,0,0]=1 56 B5R1.1 C1=CCNC1 LL0398 [1,0,0,0,0,0|1,0,2]=4 57 B5R1.1 C1=CCNC1 YH11319 [1,0,0,0,0,0|1,0,2]=4 58 B5R1.1 C1=COCC1 RT14584 [1,0,0,0,0,0|1,0,2]=4 59 B5R1.1 C1=NCCO1 XJ4908 [1,0,0,0,0,0|2,0,1]=4 60 B5R1.1 C1CCCC1 LT4684 [1,0,0,0,0,0|0,0,0]=1 61 B5R1.1 C1CCCC1 LT5516 [1,0,0,0,0,0|0,0,0]=1 62 B5R1.1 C1CCCC1 XJ1692 [1,0,0,0,0,0|0,0,0]=1 63 B5R1.1 C1CCNC1 JZ1776 [1,0,0,0,0,0|1,0,0]=2 64 B5R1.1 C1CCOC1 JZ5471 [1,0,0,0,0,0|1,0,0]=2 65 B5R1.1 C1CCOC1 LL0399 [1,0,0,0,0,0|1,0,0]=2 66 B5R1.1 C1CCOC1 LQ4465 [1,0,0,0,0,0|1,0,0]=2 67 B5R1.1 C1CNCN1 XJ0880 [1,0,0,0,0,0|2,0,0]=3 68 B5R1.1 C1COCN1 RT14144 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.1 BrCC1CCCO1 JZ4457 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.1 Br[Mg]C1CCCC1 YH54994 [0,1,0,0,0,0|1,0,0]=2 71 B7R1.1 C#CC1CCCC1 LQ1549 [0,1,0,0,0,0|1,0,0]=2 72 B7R1.1 CCC1=NCCC1 RT14089 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.1 CCN1CCCC1 LQ3265 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.1 CNC1CCOC1 YH51455 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 CN[C@@H]1CCNC1 YH33765 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.1 COC1CCCC1 JZ2800 [0,1,0,0,0,0|0,1,0]=2 77 B7R1.1 CO[C@@H]1CCNC1 RT17416 [0,1,0,0,0,0|1,1,0]=3 78 B7R1.1 N#CC1=CCCC1 HL2430 [0,1,0,0,0,0|1,0,2]=4 79 B7R1.1 N#CC1CCCC1 LQ2602 [0,1,0,0,0,0|1,0,0]=2 80 B7R1.1 N#C[C@@H]1CCCN1 XJ6095 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.1 NCC1CCCN1 YH08114 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.1 NCC1CCNC1 YH13177 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.1 O=CC1CCCC1 XJ1419 [0,1,0,0,0,0|0,1,0]=2 84 B7R1.1 O=CC1CCCO1 LX2512 [0,1,0,0,0,0|1,1,0]=3 85 B7R1.1 OCC1CC=CC1 YH65504 [0,1,0,0,0,0|0,1,2]=4 86 B7R1.1 OCC1CCCN1 RT14572 [0,1,0,0,0,0|1,1,0]=3 87 B7R1.1 OCC1CCCO1 YH98620 [0,1,0,0,0,0|1,1,0]=3 88 B7R1.1 OC[C@@H]1CCCN1 LT7573 [0,1,0,0,0,0|1,1,0]=3 89 B7R1.1 OC[C@@H]1CCCN1 LT7642 [0,1,0,0,0,0|1,1,0]=3 90 B7R1.1 OC[C@@H]1CCNC1 LL1852 [0,1,0,0,0,0|1,1,0]=3 91 B7R1.1 OC[C@H]1CCNC1 LL1853 [0,1,0,0,0,0|1,1,0]=3 92 B7R1.2 CC1CCC(=O)C1 XJ1883 [0,1,0,0,0,0|0,1,1]=3 93 B7R1.2 CC1CCC(C)O1 HL0575 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.2 CN1CCC(=O)C1 XJ6122 [0,1,0,0,0,0|1,1,1]=4 95 B7R1.2 CN1CCC(O)C1 LX2405 [0,1,0,0,0,0|1,1,0]=3 96 B7R1.2 CN1CC[C@@H](N)C1 YH88427 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.2 CN1CC[C@@H](O)C1 YH22686 [0,1,0,0,0,0|1,1,0]=3 98 B7R1.2 CN1CC[C@H](N)C1 YH66272 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.2 CN1CC[C@H](O)C1 XJ6769 [0,1,0,0,0,0|1,1,0]=3 100 B7R1.2 N[C@@H]1CC[C@@H](O)C1 YH65478 [0,1,0,0,0,0|0,1,0]=2 101 B7R1.2 N[C@@H]1CC[C@H](F)C1 RT0640 [0,1,0,0,0,0|1,0,0]=2 102 B7R1.2 N[C@H]1CC[C@@H](O)C1 YH24807 [0,1,0,0,0,0|0,1,0]=2 103 B7R1.2 N[C@H]1CC[C@H](O)C1 YH65948 [0,1,0,0,0,0|0,1,0]=2 104 B7R1.2 O=C1CC(O)CN1 RT4517 [0,1,0,0,0,0|1,1,1]=4 105 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [0,1,0,0,0,0|1,1,1]=4 106 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [0,1,0,0,0,0|1,1,1]=4 107 B7R1.4 BrC1=C(Br)CCC1 XJ6354 [0,1,0,0,0,0|1,0,2]=4 108 B7R1.4 CC1=C(S)CCO1 LT1786 [0,1,0,0,0,0|1,0,2]=4 109 B7R1.4 CC1CCCC1N RT0500 [0,1,0,0,0,0|1,0,0]=2 110 B7R1.4 CC1CCCC1O XJ4791 [0,1,0,0,0,0|0,1,0]=2 111 B7R1.4 CC1CCNC1=O YH49833 [0,1,0,0,0,0|1,1,1]=4 112 B7R1.4 CC1CCOC1=O LQ1890 [0,1,0,0,0,0|1,1,1]=4 113 B7R1.4 CC1OCCC1=O LT1811 [0,1,0,0,0,0|1,1,1]=4 114 B7R1.4 CC1SCCC1=O LT1812 [0,1,0,0,0,0|1,1,1]=4 115 B7R1.4 CN1CCCC1=O RT4374 [0,1,0,0,0,0|1,1,1]=4 116 B7R1.4 CN1CCCC1=O XJ2240 [0,1,0,0,0,0|1,1,1]=4 117 B7R1.4 CN1CCCC1=S LQ3417 [0,1,0,0,0,0|1,0,2]=4 118 B7R1.4 NC1CCCC1O YH93843 [0,1,0,0,0,0|0,1,0]=2 119 B7R1.4 NC1CCNC1=O YH49305 [0,1,0,0,0,0|1,1,1]=4 120 B7R1.4 NC1CCOC1=O LT3746 [0,1,0,0,0,0|1,1,1]=4 121 B7R1.4 NC1CCOC1=O LT3981 [0,1,0,0,0,0|1,1,1]=4 122 B7R1.4 NC1CCSC1=O LT5282 [0,1,0,0,0,0|1,1,1]=4 123 B7R1.4 N[C@@H]1CCC[C@H]1O LT5725 [0,1,0,0,0,0|0,1,0]=2 124 B7R1.4 N[C@@H]1CCC[C@H]1O RT0409 [0,1,0,0,0,0|0,1,0]=2 125 B7R1.4 N[C@@H]1CCC[C@H]1O YH54046 [0,1,0,0,0,0|0,1,0]=2 126 B7R1.4 N[C@@H]1CCOC1=O LL1835 [0,1,0,0,0,0|1,1,1]=4 127 B7R1.4 N[C@@H]1COC[C@@H]1O RT4250 [0,1,0,0,0,0|1,1,0]=3 128 B7R1.4 N[C@H]1COC[C@H]1O RT4251 [0,1,0,0,0,0|1,1,0]=3 129 B7R1.4 O=C1OCCC1Br LT3313 [0,1,0,0,0,0|1,1,1]=4 130 B7R1.4 O=C1OCCC1O LT6912 [0,1,0,0,0,0|1,1,1]=4 131 B7R1.14 CC1(C)CCCO1 HL0572 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.14 CC1(C)COCN1 LT2687 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.14 CC1(C)OCCO1 JZ2138 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.14 C[N+]1(C)CCCC1 RT4096 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.14 FC1(F)CCNC1 LL2384 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.14 FC1(F)CCNC1 YH65430 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.14 O=S1(=O)CCCC1 JZ0025 [0,1,0,0,0,0|1,1,0]=3 138 B7R1.14 O=S1(=O)CCCN1 CJ3206 [0,1,0,0,0,0|2,1,0]=4 139 B7R1.14 O=S1(=O)CCCO1 RT15692 [0,1,0,0,0,0|2,1,0]=4 140 B5R0.1 BrCCC(Br)Br YH44143 [0,0,1,0,0,0|3,0,0]=4 141 B5R0.1 C#CCC(C)O LQ2032 [0,0,1,0,0,0|0,1,2]=4 142 B5R0.1 C=C(C)OCC LT1730 [0,0,1,0,0,0|2,0,1]=4 143 B5R0.1 C=CCC(C)C LQ1324 [0,0,1,0,0,0|1,0,2]=4 144 B5R0.1 C=CCC(C)O XJ1184 [0,0,1,0,0,0|0,1,2]=4 145 B5R0.1 CC#C[C@H](C)O HL4870 [0,0,1,0,0,0|0,1,2]=4 146 B5R0.1 CC(=O)CCS XJ5155 [0,0,1,0,0,0|1,1,1]=4 147 B5R0.1 CC(Br)CCBr HL1367 [0,0,1,0,0,0|2,0,0]=3 148 B5R0.1 CC(C)CC#N XJ1183 [0,0,1,0,0,0|2,0,1]=4 149 B5R0.1 CC(C)CCCl HL1371 [0,0,1,0,0,0|2,0,0]=3 150 B5R0.1 CC(C)CCI XJ0935 [0,0,1,0,0,0|2,0,0]=3 151 B5R0.1 CC(O)CC=O HL1375 [0,0,1,0,0,0|1,1,1]=4 152 B5R0.1 CCCC(=O)[O-] XJ2982 [0,0,1,0,0,0|1,1,1]=4 153 B5R0.1 CCCC(C)C HL1370 [0,0,1,0,0,0|1,0,0]=2 154 B5R0.1 CCCC(C)C HL4500 [0,0,1,0,0,0|1,0,0]=2 155 B5R0.1 CCCC(N)=O XJ0937 [0,0,1,0,0,0|1,1,1]=4 156 B5R0.1 CCCC(N)=[NH2+] LX2780 [0,0,1,0,0,0|2,0,1]=4 157 B5R0.1 CCC[C@H](C)O LQ4668 [0,0,1,0,0,0|0,1,0]=2 158 B5R0.1 CCC[N+](=O)[O-] JZ5682 [0,0,1,0,0,0|2,1,0]=4 159 B5R0.1 CCC[N+](=O)[O-] LQ0374 [0,0,1,0,0,0|2,1,0]=4 160 B5R0.1 CCNC(C)=O XJ1192 [0,0,1,0,0,0|1,1,1]=4 161 B5R0.1 CCSC(C)=O HL4138 [0,0,1,0,0,0|1,1,1]=4 162 B5R0.1 CCSC(C)=O XJ1197 [0,0,1,0,0,0|1,1,1]=4 163 B5R0.1 CN(C)CCCl HL2802 [0,0,1,0,0,0|3,0,0]=4 164 B5R0.1 CN(C)CCN HL1382 [0,0,1,0,0,0|3,0,0]=4 165 B5R0.1 CN(C)CCO HL1383 [0,0,1,0,0,0|3,0,0]=4 166 B5R0.1 CN(C)CCS LT4952 [0,0,1,0,0,0|3,0,0]=4 167 B5R0.1 COCC(C)=O LT7464 [0,0,1,0,0,0|1,1,1]=4 168 B5R0.1 COCC(C)N XJ5266 [0,0,1,0,0,0|2,0,0]=3 169 B5R0.1 COC[C@H](C)N XJ6713 [0,0,1,0,0,0|2,0,0]=3 170 B5R0.1 C[C@@H](N)CC#N YH66415 [0,0,1,0,0,0|2,0,1]=4 171 B5R0.1 C[C@@H](N)CCO RT0497 [0,0,1,0,0,0|2,0,0]=3 172 B5R0.1 C[C@@H](O)CCO SY0267 [0,0,1,0,0,0|1,1,0]=3 173 B5R0.1 C[C@H](N)CC#N YH66374 [0,0,1,0,0,0|2,0,1]=4 174 B5R0.2 BrCCCCBr RT17667 [0,0,1,0,0,0|2,0,0]=3 175 B5R0.2 C#CCCCBr RT0013 [0,0,1,0,0,0|1,0,2]=4 176 B5R0.2 C#CCCCC LQ1326 [0,0,1,0,0,0|1,0,1]=3 177 B5R0.2 C#CCCCO XJ2908 [0,0,1,0,0,0|0,1,2]=4 178 B5R0.2 C#CCCCS RT16516 [0,0,1,0,0,0|0,0,2]=3 179 B5R0.2 C=CCCCBr XJ1587 [0,0,1,0,0,0|1,0,2]=4 180 B5R0.2 CCC#CCBr RT0546 [0,0,1,0,0,0|1,0,2]=4 181 B5R0.2 CCCCC#N LL0427 [0,0,1,0,0,0|1,0,1]=3 182 B5R0.2 CCCCCI HL0274 [0,0,1,0,0,0|1,0,0]=2 183 B5R0.2 CCCCNC LL0434 [0,0,1,0,0,0|2,0,0]=3 184 B5R0.2 CCCCSC HL0277 [0,0,1,0,0,0|2,0,0]=3 185 B5R0.2 CCCC[SnH]=O LQ5214 [0,0,1,0,0,0|1,1,0]=3 186 B5R0.2 CCCN=C=O LL0443 [0,0,1,0,0,0|1,1,1]=4 187 B5R0.2 CCCN=C=S HL0278 [0,0,1,0,0,0|1,0,2]=4 188 B5R0.2 CCCOC=O LL0440 [0,0,1,0,0,0|1,1,1]=4 189 B5R0.2 CCCOCCl JZ2364 [0,0,1,0,0,0|2,0,0]=3 190 B5R0.2 CCCSC#N LQ2617 [0,0,1,0,0,0|2,0,1]=4 191 B5R0.2 CCCSCC LT5403 [0,0,1,0,0,0|2,0,0]=3 192 B5R0.2 CCNCCO LL0439 [0,0,1,0,0,0|1,1,0]=3 193 B5R0.2 CCNNCC LQ3339 [0,0,1,0,0,0|3,0,0]=4 194 B5R0.2 CCOCCBr HL0120 [0,0,1,0,0,0|2,0,0]=3 195 B5R0.2 CCOCCCl HL0279 [0,0,1,0,0,0|2,0,0]=3 196 B5R0.2 CCOCCO LL0444 [0,0,1,0,0,0|1,1,0]=3 197 B5R0.2 CC\C=C\CC JZ3712 [0,0,1,0,0,0|1,0,2]=4 198 B5R0.2 CNCCNC LL0436 [0,0,1,0,0,0|3,0,0]=4 199 B5R0.2 CNCCOC LQ4938 [0,0,1,0,0,0|3,0,0]=4 200 B5R0.2 COCCC#N LL0433 [0,0,1,0,0,0|2,0,1]=4 201 B5R0.2 COCCC=O YH51649 [0,0,1,0,0,0|1,1,1]=4 202 B5R0.2 COCCCCl LQ4914 [0,0,1,0,0,0|2,0,0]=3 203 B5R0.2 COCCCN LT2986 [0,0,1,0,0,0|2,0,0]=3 204 B5R0.2 CSCCC=O LT3092 [0,0,1,0,0,0|1,1,1]=4 205 B5R0.2 CSCCCN XJ2622 [0,0,1,0,0,0|2,0,0]=3 206 B5R0.2 CSCCCO XJ0883 [0,0,1,0,0,0|1,1,0]=3 207 B5R0.2 C\C=C\CCC XJ2577 [0,0,1,0,0,0|1,0,2]=4 208 B5R0.2 ClCCCCI XJ3625 [0,0,1,0,0,0|2,0,0]=3 209 B5R0.2 ClCCOCCl HL0847 [0,0,1,0,0,0|3,0,0]=4 210 B5R0.2 ICCCCI HL0276 [0,0,1,0,0,0|2,0,0]=3 211 B5R0.2 N#CCCCBr XJ2830 [0,0,1,0,0,0|2,0,1]=4 212 B5R0.2 NCCCCCl JZ1120 [0,0,1,0,0,0|2,0,0]=3 213 B5R0.2 NCCCCN LL0428 [0,0,1,0,0,0|2,0,0]=3 214 B5R0.2 NCCCCO XJ3835 [0,0,1,0,0,0|1,1,0]=3 215 B5R0.2 NOCCCS RT0541 [0,0,1,0,0,0|2,0,0]=3 216 B5R0.2 OCCCCCl LQ1521 [0,0,1,0,0,0|1,1,0]=3 217 B5R0.2 OCCCCF RT1165 [0,0,1,0,0,0|1,1,0]=3 218 B5R0.2 OCCOCCl RT1169 [0,0,1,0,0,0|2,1,0]=4 219 B5R0.3 BrCC(Br)CBr LL0220 [0,0,1,0,0,0|3,0,0]=4 220 B5R0.3 C#CC(O)CC HL2704 [0,0,1,0,0,0|0,1,2]=4 221 B5R0.3 C=C(CC)CC XJ1324 [0,0,1,0,0,0|1,0,1]=3 222 B5R0.3 C=CC(C)CC XJ1323 [0,0,1,0,0,0|1,0,2]=4 223 B5R0.3 CC(CO)CO JZ1881 [0,0,1,0,0,0|3,0,0]=4 224 B5R0.3 CCC(=O)NC JZ4434 [0,0,1,0,0,0|1,1,1]=4 225 B5R0.3 CCC(Br)CC XJ1961 [0,0,1,0,0,0|1,0,0]=2 226 B5R0.3 CCC(C)C=O LL0224 [0,0,1,0,0,0|2,0,1]=4 227 B5R0.3 CCC(C)CBr LQ2987 [0,0,1,0,0,0|2,0,0]=3 228 B5R0.3 CCC(C)CBr LQ3410 [0,0,1,0,0,0|2,0,0]=3 229 B5R0.3 CCC(C)CC LL0223 [0,0,1,0,0,0|1,0,0]=2 230 B5R0.3 CCC(C)CCl LQ1182 [0,0,1,0,0,0|2,0,0]=3 231 B5R0.3 CCC(C)CO LL0587 [0,0,1,0,0,0|2,0,0]=3 232 B5R0.3 CCC(C)NC LQ3344 [0,0,1,0,0,0|2,0,0]=3 233 B5R0.3 CCC(Cl)CCl LQ1184 [0,0,1,0,0,0|2,0,0]=3 234 B5R0.3 CCC(N)CC LQ1186 [0,0,1,0,0,0|1,0,0]=2 235 B5R0.3 CCC(N)CO LL0227 [0,0,1,0,0,0|2,0,0]=3 236 B5R0.3 CCC(S)CS XJ4247 [0,0,1,0,0,0|1,0,0]=2 237 B5R0.3 CCN(C)CC LQ1190 [0,0,1,0,0,0|2,0,0]=3 238 B5R0.3 CCN(O)CC HL2577 [0,0,1,0,0,0|1,1,0]=3 239 B5R0.3 CC[C@@H](C)CO LQ1183 [0,0,1,0,0,0|2,0,0]=3 240 B5R0.3 CC[C@@H](O)CO LQ5013 [0,0,1,0,0,0|1,1,0]=3 241 B5R0.3 CC[C@H](C)CBr LL0949 [0,0,1,0,0,0|2,0,0]=3 242 B5R0.3 CC[C@H](O)CO HL4502 [0,0,1,0,0,0|1,1,0]=3 243 B5R0.3 NC(CO)CO LL1303 [0,0,1,0,0,0|3,0,0]=4 244 B5R0.3 NCC(O)CN LQ1188 [0,0,1,0,0,0|2,1,0]=4 245 B5R0.3 NCC(O)CO JZ0486 [0,0,1,0,0,0|2,1,0]=4 246 B5R0.3 NC[C@H](O)CO YH09994 [0,0,1,0,0,0|2,1,0]=4 247 B5R0.3 NC[C@H](O)CO YH45696 [0,0,1,0,0,0|2,1,0]=4 248 B5R0.3 OC(CBr)CBr LL0228 [0,0,1,0,0,0|2,1,0]=4 249 B5R0.3 OC(CCl)CCl LL0229 [0,0,1,0,0,0|2,1,0]=4 250 B5R0.3 OCC(Br)CBr LL0222 [0,0,1,0,0,0|3,0,0]=4 251 B5R0.3 OCC(Br)CO RT0384 [0,0,1,0,0,0|3,0,0]=4 252 B5R0.3 OCC(Cl)CCl LQ1185 [0,0,1,0,0,0|3,0,0]=4 253 B5R0.3 OCC(Cl)CO RT1084 [0,0,1,0,0,0|3,0,0]=4 254 B5R0.3 OCC(O)CBr RT0218 [0,0,1,0,0,0|2,1,0]=4 255 B5R0.3 OCC(O)CCl LL0230 [0,0,1,0,0,0|2,1,0]=4 256 B5R0.3 OCC(O)CI RT1254 [0,0,1,0,0,0|2,1,0]=4 257 B5R0.3 OCC(O)CO LT6375 [0,0,1,0,0,0|2,1,0]=4 258 B5R0.3 OCC(O)CO RT14397 [0,0,1,0,0,0|2,1,0]=4 259 B5R0.3 OCC(O)CO XJ4849 [0,0,1,0,0,0|2,1,0]=4 260 B5R0.3 OCC(O)CS LL0232 [0,0,1,0,0,0|2,1,0]=4 261 B5R0.3 OC[C@H](O)CBr YH33404 [0,0,1,0,0,0|2,1,0]=4 262 B5R0.3 OC[C@H](O)CCl LT5275 [0,0,1,0,0,0|2,1,0]=4 263 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [0,0,1,0,0,0|2,1,0]=4 264 B7R2.13 C1NCC2CC12 YH16432 [0,0,0,1,0,0|2,0,0]=3 265 B7R2.13 C1NCC2CC12 YH51935 [0,0,0,1,0,0|2,0,0]=3 266 B7R2.13 C1OCC2OC12 LL0620 [0,0,0,1,0,0|1,1,0]=3 267 B5R1.2 BrC1CCC1 LT7156 [0,0,0,0,1,0|1,0,0]=2 268 B5R1.2 FC1CNC1 RT4119 [0,0,0,0,1,0|2,0,0]=3 269 B5R1.2 FC1CNC1 YH65878 [0,0,0,0,1,0|2,0,0]=3 270 B5R1.2 IC1COC1 YH65509 [0,0,0,0,1,0|2,0,0]=3 271 B5R1.2 NC1COC1 LQ4263 [0,0,0,0,1,0|2,0,0]=3 272 B5R1.2 NC1COC1 YH65543 [0,0,0,0,1,0|2,0,0]=3 273 B5R1.2 O=C1CCC1 LT7155 [0,0,0,0,1,0|0,1,1]=3 274 B5R1.2 O=C1CNC1 LQ4009 [0,0,0,0,1,0|1,1,1]=4 275 B5R1.2 O=C1COC1 LQ3137 [0,0,0,0,1,0|1,1,1]=4 276 B5R1.2 O=C1CSC1 YH65134 [0,0,0,0,1,0|1,1,1]=4 277 B5R1.2 OC1CCC1 JZ2141 [0,0,0,0,1,0|0,1,0]=2 278 B5R1.2 OC1CNC1 LQ5145 [0,0,0,0,1,0|1,1,0]=3 279 B5R1.2 OC1CNC1 LX2402 [0,0,0,0,1,0|1,1,0]=3 280 B5R1.2 OC1COC1 JZ3200 [0,0,0,0,1,0|1,1,0]=3 281 B7R1.3 BrC1CCOCC1 YH49891 [0,0,0,0,0,1|1,0,0]=2 282 B7R1.3 CC1=CCCCC1 HL0101 [0,0,0,0,0,1|1,0,1]=3 283 B7R1.3 CC1CCCCC1 LQ0421 [0,0,0,0,0,1|1,0,0]=2 284 B7R1.3 CC1CCCCN1 LQ0427 [0,0,0,0,0,1|1,0,0]=2 285 B7R1.3 CC1CCNCC1 HL0233 [0,0,0,0,0,1|1,0,0]=2 286 B7R1.3 CC1COCCN1 YH00913 [0,0,0,0,0,1|2,0,0]=3 287 B7R1.3 CN1CCNCC1 JZ0117 [0,0,0,0,0,1|2,0,0]=3 288 B7R1.3 CN1CCNCC1 RT14568 [0,0,0,0,0,1|2,0,0]=3 289 B7R1.3 CN1CCOCC1 LT7334 [0,0,0,0,0,1|2,0,0]=3 290 B7R1.3 C[C@@H]1CCCCN1 YH66554 [0,0,0,0,0,1|1,0,0]=2 291 B7R1.3 C[C@@H]1COCCN1 XJ6283 [0,0,0,0,0,1|2,0,0]=3 292 B7R1.3 C[C@@H]1COCCN1 YH65950 [0,0,0,0,0,1|2,0,0]=3 293 B7R1.3 C[C@H]1CCCCN1 JZ2253 [0,0,0,0,0,1|1,0,0]=2 294 B7R1.3 C[C@H]1CCCNC1 HL0232 [0,0,0,0,0,1|1,0,0]=2 295 B7R1.3 C[C@H]1CNCCN1 HL4115 [0,0,0,0,0,1|2,0,0]=3 296 B7R1.3 C[C@H]1CNCCN1 YH16978 [0,0,0,0,0,1|2,0,0]=3 297 B7R1.3 ClC1CCNCC1 XJ2904 [0,0,0,0,0,1|1,0,0]=2 298 B7R1.3 FC1CCNCC1 XJ5827 [0,0,0,0,0,1|1,0,0]=2 299 B7R1.3 IC1CCCCC1 HL0234 [0,0,0,0,0,1|1,0,0]=2 300 B7R1.3 N=C1CCCCN1 LT0382 [0,0,0,0,0,1|1,0,1]=3 301 B7R1.3 NC1=NCCCN1 RT4093 [0,0,0,0,0,1|2,0,1]=4 302 B7R1.3 NC1=NCCCN1 YH00406 [0,0,0,0,0,1|2,0,1]=4 303 B7R1.3 NC1CCCCC1 JZ0026 [0,0,0,0,0,1|1,0,0]=2 304 B7R1.3 NC1CCCCC1 LT4681 [0,0,0,0,0,1|1,0,0]=2 305 B7R1.3 NC1CCCCC1 RT1317 [0,0,0,0,0,1|1,0,0]=2 306 B7R1.3 NC1CCCNC1 YH06108 [0,0,0,0,0,1|1,0,0]=2 307 B7R1.3 NC1CCCNC1 YH33541 [0,0,0,0,0,1|1,0,0]=2 308 B7R1.3 NC1CCNCC1 LQ3556 [0,0,0,0,0,1|1,0,0]=2 309 B7R1.3 NC1CCNCC1 LQ4843 [0,0,0,0,0,1|1,0,0]=2 310 B7R1.3 NC1CCOCC1 LT5833 [0,0,0,0,0,1|1,0,0]=2 311 B7R1.3 NC1CCOCC1 YH54791 [0,0,0,0,0,1|1,0,0]=2 312 B7R1.3 NN1CCCCC1 RT4329 [0,0,0,0,0,1|2,0,0]=3 313 B7R1.3 NN1CCCCC1 XJ2051 [0,0,0,0,0,1|2,0,0]=3 314 B7R1.3 N[C@@H]1CCCNC1 YH55144 [0,0,0,0,0,1|1,0,0]=2 315 B7R1.3 N[C@H]1CCCNC1 HL4050 [0,0,0,0,0,1|1,0,0]=2 316 B7R1.3 N[C@H]1CCCNC1 LT0322 [0,0,0,0,0,1|1,0,0]=2 317 B7R1.3 O=C1CCCCC1 LQ0425 [0,0,0,0,0,1|0,1,1]=3 318 B7R1.3 O=C1CCCNC1 YH04125 [0,0,0,0,0,1|0,1,1]=3 319 B7R1.3 O=C1CCCNC1 YH10216 [0,0,0,0,0,1|0,1,1]=3 320 B7R1.3 O=C1CCNCC1 YH00798 [0,0,0,0,0,1|0,1,1]=3 321 B7R1.3 O=C1CCOCC1 XJ5024 [0,0,0,0,0,1|0,1,1]=3 322 B7R1.3 O=C1CNCCN1 XJ2918 [0,0,0,0,0,1|1,1,1]=4 323 B7R1.3 O=C1COCCN1 LQ0428 [0,0,0,0,0,1|1,1,1]=4 324 B7R1.3 O=C1COCCO1 HL2425 [0,0,0,0,0,1|1,1,1]=4 325 B7R1.3 O=C1NCCCO1 YH05298 [0,0,0,0,0,1|1,1,1]=4 326 B7R1.3 O=C1OCCCO1 XJ2200 [0,0,0,0,0,1|1,1,1]=4 327 B7R1.3 OC1C=CCCC1 YH66647 [0,0,0,0,0,1|0,1,1]=3 328 B7R1.3 OC1CCCCN1 LQ5146 [0,0,0,0,0,1|0,1,0]=2 329 B7R1.3 OC1CCCNC1 HL4242 [0,0,0,0,0,1|0,1,0]=2 330 B7R1.3 OC1CCCNC1 LT6809 [0,0,0,0,0,1|0,1,0]=2 331 B7R1.3 OC1CCCOC1 RT0503 [0,0,0,0,0,1|0,1,0]=2 332 B7R1.3 OC1CCCSC1 RT19790 [0,0,0,0,0,1|0,1,0]=2 333 B7R1.3 OC1CCNCC1 RT17686 [0,0,0,0,0,1|0,1,0]=2 334 B7R1.3 OC1CCOCC1 HL2134 [0,0,0,0,0,1|0,1,0]=2 335 B7R1.3 OC1CCOCC1 YH45458 [0,0,0,0,0,1|0,1,0]=2 336 B7R1.3 OC1COCOC1 LL1585 [0,0,0,0,0,1|1,1,0]=3 337 B7R1.3 ON1CCCCC1 LT0352 [0,0,0,0,0,1|1,1,0]=3 338 B7R1.3 O[C@@H]1CCCNC1 LT0319 [0,0,0,0,0,1|0,1,0]=2 339 B7R1.3 O[C@H]1CCCNC1 HL4109 [0,0,0,0,0,1|0,1,0]=2 340 B7R1.3 [C@@H]1(C)CNCCN1 LT6105 [0,0,0,0,0,1|2,0,0]=3 341 B4R0.1 C=C(C)CC LQ1059 [1,0,1,0,0,0|1,0,1]=4 342 B4R0.1 CC(Br)CBr LL0123 [1,0,1,0,0,0|2,0,0]=4 343 B4R0.1 CC(Br)CCl XJ2375 [1,0,1,0,0,0|2,0,0]=4 344 B4R0.1 CC(C)CI HL1913 [1,0,1,0,0,0|2,0,0]=4 345 B4R0.1 CC(C)CS HL1915 [1,0,1,0,0,0|2,0,0]=4 346 B4R0.1 CC(N)CN YH43801 [1,0,1,0,0,0|2,0,0]=4 347 B4R0.1 CC(N)CO JZ1400 [1,0,1,0,0,0|2,0,0]=4 348 B4R0.1 CC(O)CF YH01374 [1,0,1,0,0,0|1,1,0]=4 349 B4R0.1 CCC(C)I LT2185 [1,0,1,0,0,0|1,0,0]=3 350 B4R0.1 CC[C@@H](C)N JZ3698 [1,0,1,0,0,0|1,0,0]=3 351 B4R0.1 COC(C)C RT17590 [1,0,1,0,0,0|2,0,0]=4 352 B4R0.1 CSC(C)C LT4098 [1,0,1,0,0,0|2,0,0]=4 353 B4R0.1 C[C@@H](N)CN YH65431 [1,0,1,0,0,0|2,0,0]=4 354 B4R0.1 C[C@@H](O)CN LT7643 [1,0,1,0,0,0|1,1,0]=4 355 B4R0.1 C[C@H](Cl)CO JZ5320 [1,0,1,0,0,0|2,0,0]=4 356 B4R0.1 C[C@H](Cl)CO XJ5311 [1,0,1,0,0,0|2,0,0]=4 357 B4R0.1 C[C@H](N)CO HL2372 [1,0,1,0,0,0|2,0,0]=4 358 B4R0.1 C[C@H](N)CO LT7580 [1,0,1,0,0,0|2,0,0]=4 359 B4R0.1 C[C@H](O)CCl JZ5302 [1,0,1,0,0,0|1,1,0]=4 360 B4R0.1 [C@@H](C)(O)CO LQ2624 [1,0,1,0,0,0|1,1,0]=4 361 B4R0.2 C#CCCC HL0250 [1,0,1,0,0,0|0,0,2]=4 362 B4R0.2 CCCCN LQ2553 [1,0,1,0,0,0|1,0,0]=3 363 B4R0.2 CCCCS LL0387 [1,0,1,0,0,0|0,0,0]=2 364 B4R0.2 CCCC[O-] HL2476 [1,0,1,0,0,0|0,1,0]=3 365 B4R0.2 CCCC[O-] LQ4485 [1,0,1,0,0,0|0,1,0]=3 366 B4R0.2 CCC[Mg]Br LQ1517 [1,0,1,0,0,0|2,0,0]=4 367 B4R0.2 CCC[Mg]Cl XJ2093 [1,0,1,0,0,0|2,0,0]=4 368 B4R0.2 CCC[Zn-]Br HL3580 [1,0,1,0,0,0|2,0,0]=4 369 B4R0.2 CCOCC LL1197 [1,0,1,0,0,0|1,0,0]=3 370 B4R0.2 CCOCC XJ5008 [1,0,1,0,0,0|1,0,0]=3 371 B4R0.2 CCSSC LQ4240 [1,0,1,0,0,0|2,0,0]=4 372 B4R0.2 CC[AlH3+]CC LL0219 [1,0,1,0,0,0|1,0,0]=3 373 B4R0.2 CC[N-]CC RT4825 [1,0,1,0,0,0|1,0,0]=3 374 B4R0.2 CC[NH2+]CC XJ6105 [1,0,1,0,0,0|1,0,0]=3 375 B4R0.2 CC[Se]CC RT0534 [1,0,1,0,0,0|1,0,0]=3 376 B4R0.2 CNCCCl RT4724 [1,0,1,0,0,0|2,0,0]=4 377 B4R0.2 CNCCCl YH54353 [1,0,1,0,0,0|2,0,0]=4 378 B4R0.2 CNCCN LL0389 [1,0,1,0,0,0|2,0,0]=4 379 B4R0.2 COCCN LL0392 [1,0,1,0,0,0|2,0,0]=4 380 B4R0.2 COCCO XJ3502 [1,0,1,0,0,0|1,1,0]=4 381 B4R0.2 CSCCO JZ2661 [1,0,1,0,0,0|1,1,0]=4 382 B4R0.2 C\C=C\CC XJ1213 [1,0,1,0,0,0|0,0,2]=4 383 B4R0.2 ClCCCI JZ3062 [1,0,1,0,0,0|2,0,0]=4 384 B4R0.2 FCCCBr SY0223 [1,0,1,0,0,0|2,0,0]=4 385 B4R0.2 NCCCBr HL2839 [1,0,1,0,0,0|2,0,0]=4 386 B4R0.2 NCCCCl LT6768 [1,0,1,0,0,0|2,0,0]=4 387 B4R0.2 OCCCBr HL0249 [1,0,1,0,0,0|1,1,0]=4 388 B4R0.2 OCCCI HL0254 [1,0,1,0,0,0|1,1,0]=4 389 B4R0.2 OCCCO XJ0879 [1,0,1,0,0,0|1,1,0]=4 390 B4R0.2 SCCCS LL0388 [1,0,1,0,0,0|1,0,0]=3 391 B6R0.1 BrCCC(Br)CBr LQ4943 [0,1,1,0,0,0|2,0,0]=4 392 B6R0.1 C#CC(C)CCC LQ5005 [0,1,1,0,0,0|1,0,0]=3 393 B6R0.1 C#CC(O)CCC XJ0311 [0,1,1,0,0,0|0,1,1]=4 394 B6R0.1 CCC(C)CCO HL0061 [0,1,1,0,0,0|2,0,0]=4 395 B6R0.1 CCC(C)CCO LL2797 [0,1,1,0,0,0|2,0,0]=4 396 B6R0.1 CCC(C)CCO LQ4221 [0,1,1,0,0,0|2,0,0]=4 397 B6R0.1 CCCC(=O)CC HL0062 [0,1,1,0,0,0|0,1,1]=4 398 B6R0.1 CCCC(=O)OC XJ1144 [0,1,1,0,0,0|0,1,1]=4 399 B6R0.1 CCCC(=O)SC XJ2150 [0,1,1,0,0,0|0,1,1]=4 400 B6R0.1 CCCC(Br)CBr JZ2283 [0,1,1,0,0,0|1,0,0]=3 401 B6R0.1 CCCC(C)C#N YH11272 [0,1,1,0,0,0|1,0,0]=3 402 B6R0.1 CCCC(C)CC HL0060 [0,1,1,0,0,0|1,0,0]=3 403 B6R0.1 CNCC(O)CO LT2424 [0,1,1,0,0,0|1,1,0]=4 404 B6R0.1 COCC(O)CCl HL2667 [0,1,1,0,0,0|1,1,0]=4 405 B6R0.1 COCC(O)CO LT2370 [0,1,1,0,0,0|1,1,0]=4 406 B6R0.1 COC[C@@H](N)CO LX2569 [0,1,1,0,0,0|2,0,0]=4 407 B6R0.1 CSC(C)CC=O LT2625 [0,1,1,0,0,0|1,0,1]=4 408 B6R0.1 N[C@H](CS)CCS RT1463 [0,1,1,0,0,0|2,0,0]=4 409 B6R0.1 OCC[C@@H](O)CO YH14636 [0,1,1,0,0,0|1,1,0]=4 410 B6R0.1 OCC[C@H](O)CO LQ5089 [0,1,1,0,0,0|1,1,0]=4 411 B6R0.2 CC(=O)CC(C)C LQ0378 [0,1,1,0,0,0|0,1,1]=4 412 B6R0.2 CC(C)CC(C)C LQ0376 [0,1,1,0,0,0|1,0,0]=3 413 B6R0.2 CC(C)CC(C)N XJ6268 [0,1,1,0,0,0|1,0,0]=3 414 B6R0.2 CC(C)C[C@H](C)O JZ4964 [0,1,1,0,0,0|0,1,0]=3 415 B6R0.2 CC(C)NC(C)C YH12518 [0,1,1,0,0,0|2,0,0]=4 416 B6R0.2 CC(Cl)CN(C)C HL0587 [0,1,1,0,0,0|2,0,0]=4 417 B6R0.2 CC(Cl)CN(C)C HL2803 [0,1,1,0,0,0|2,0,0]=4 418 B6R0.2 CC(O)CC(C)O XJ1198 [0,1,1,0,0,0|0,1,0]=3 419 B6R0.2 C[C@H](O)CN(C)C YH05901 [0,1,1,0,0,0|1,1,0]=4 420 B6R0.3 CC(C)[C@@H](C)CO RT0504 [0,1,1,0,0,0|2,0,0]=4 421 B6R0.3 CC(C)[C@H](C)CBr RT1116 [0,1,1,0,0,0|2,0,0]=4 422 B6R0.3 CC(C)[C@H](C)CO RT1115 [0,1,1,0,0,0|2,0,0]=4 423 B6R0.3 CC(C)[C@H](N)CO LT7570 [0,1,1,0,0,0|2,0,0]=4 424 B6R0.3 CCC(C)C(C)C LL0990 [0,1,1,0,0,0|1,0,0]=3 425 B6R0.3 CCC(O)C(C)C LL0993 [0,1,1,0,0,0|1,0,0]=3 426 B6R0.3 CCC(S)C(C)=O LL1144 [0,1,1,0,0,0|0,1,1]=4 427 B6R0.3 COC(=O)C(C)S RT19716 [0,1,1,0,0,0|1,0,1]=4 428 B6R0.3 C[C@@H](O)[C@H](N)CO JZ2276 [0,1,1,0,0,0|1,1,0]=4 429 B6R0.4 C#CCCC(C)C JZ1939 [0,1,1,0,0,0|1,0,1]=4 430 B6R0.4 C=CCCC(C)C JZ2300 [0,1,1,0,0,0|1,0,1]=4 431 B6R0.4 CC(Br)CCCBr HL0239 [0,1,1,0,0,0|1,0,0]=3 432 B6R0.4 CC(C)CCC=O RT0502 [0,1,1,0,0,0|1,0,1]=4 433 B6R0.4 CC(C)CCCBr HL0240 [0,1,1,0,0,0|1,0,0]=3 434 B6R0.4 CC(C)OCCO LQ0441 [0,1,1,0,0,0|2,0,0]=4 435 B6R0.4 CC(N)CCCO RT0123 [0,1,1,0,0,0|1,0,0]=3 436 B6R0.4 CCC#CC(C)O LT2389 [0,1,1,0,0,0|0,1,1]=4 437 B6R0.4 CCCCC(C)Br HL2516 [0,1,1,0,0,0|1,0,0]=3 438 B6R0.4 CCCC[Sn](=O)S LQ4511 [0,1,1,0,0,0|2,0,0]=4 439 B6R0.4 CCCNC(C)=O JZ2722 [0,1,1,0,0,0|0,1,1]=4 440 B6R0.4 CCCSC(C)C HL2844 [0,1,1,0,0,0|1,0,0]=3 441 B6R0.4 CN(C)CCCBr LQ5309 [0,1,1,0,0,0|2,0,0]=4 442 B6R0.4 CN(C)CCCBr YH08472 [0,1,1,0,0,0|2,0,0]=4 443 B6R0.4 CN(C)CCCCl HL0729 [0,1,1,0,0,0|2,0,0]=4 444 B6R0.4 CN(C)CCCCl HL2943 [0,1,1,0,0,0|2,0,0]=4 445 B6R0.4 CN(C)CCCCl LQ0440 [0,1,1,0,0,0|2,0,0]=4 446 B6R0.4 CN(C)CCCN RT1449 [0,1,1,0,0,0|2,0,0]=4 447 B6R0.4 CN(C)CCCO LT2968 [0,1,1,0,0,0|2,0,0]=4 448 B6R0.4 CNCCN(C)C XJ0598 [0,1,1,0,0,0|2,0,0]=4 449 B6R0.4 COCCC(C)O LT2442 [0,1,1,0,0,0|0,1,0]=3 450 B6R0.4 CSCCC(C)=O LT2666 [0,1,1,0,0,0|0,1,1]=4 451 B6R0.5 CC(C)(C)CCBr HL0956 [0,1,1,0,0,0|2,0,0]=4 452 B6R0.5 CC(C)(C)CCO XJ1179 [0,1,1,0,0,0|2,0,0]=4 453 B6R0.5 CC(C)(N)CCO YH01120 [0,1,1,0,0,0|2,0,0]=4 454 B6R0.5 CC(C)(O)CCBr RT0161 [0,1,1,0,0,0|1,1,0]=4 455 B6R0.5 CC(C)(O)CCCl RT0158 [0,1,1,0,0,0|1,1,0]=4 456 B6R0.5 CCCC(C)(C)Cl LQ2678 [0,1,1,0,0,0|1,0,0]=3 457 B6R0.5 CCCC(C)(C)O HL0081 [0,1,1,0,0,0|0,1,0]=3 458 B6R0.5 CCC[N+](C)(C)C RT0535 [0,1,1,0,0,0|2,0,0]=4 459 B6R0.5 CCOC(C)(C)C JZ4054 [0,1,1,0,0,0|2,0,0]=4 460 B6R0.5 COCC(C)(C)O JZ2366 [0,1,1,0,0,0|1,1,0]=4 461 B6R0.6 BrCCNCCBr RT17682 [0,1,1,0,0,0|2,0,0]=4 462 B6R0.6 BrCCOCCBr HL2958 [0,1,1,0,0,0|2,0,0]=4 463 B6R0.6 C#CCCCCC HL0285 [0,1,1,0,0,0|1,0,0]=3 464 B6R0.6 C#CCCCCO LQ1526 [0,1,1,0,0,0|0,1,1]=4 465 B6R0.6 C=CCCCCCl LQ1525 [0,1,1,0,0,0|1,0,1]=4 466 B6R0.6 CCCC#CCO XJ1342 [0,1,1,0,0,0|0,1,1]=4 467 B6R0.6 CCCCCC#N HL0286 [0,1,1,0,0,0|1,0,0]=3 468 B6R0.6 CCCCCCCl HL1956 [0,1,1,0,0,0|1,0,0]=3 469 B6R0.6 CCCCCCI JZ4066 [0,1,1,0,0,0|1,0,0]=3 470 B6R0.6 CCCCCCO XJ0385 [0,1,1,0,0,0|0,1,0]=3 471 B6R0.6 CCCCCCS XJ0387 [0,1,1,0,0,0|0,0,0]=2 472 B6R0.6 CCCCCNC LT5645 [0,1,1,0,0,0|1,0,0]=3 473 B6R0.6 CCCCC[Mg]Cl JZ2964 [0,1,1,0,0,0|1,0,0]=3 474 B6R0.6 CCCCN=C=S HL0124 [0,1,1,0,0,0|0,0,2]=4 475 B6R0.6 CCCCOCC HL0289 [0,1,1,0,0,0|1,0,0]=3 476 B6R0.6 CCCCOCCl LT4489 [0,1,1,0,0,0|1,0,0]=3 477 B6R0.6 CCCCSC#N HL0290 [0,1,1,0,0,0|1,0,1]=4 478 B6R0.6 CCCCSCC JZ4067 [0,1,1,0,0,0|1,0,0]=3 479 B6R0.6 CCCNCCC RT1163 [0,1,1,0,0,0|1,0,0]=3 480 B6R0.6 CCCSSCC LT5405 [0,1,1,0,0,0|2,0,0]=4 481 B6R0.6 CCCSSSC JZ1910 [0,1,1,0,0,0|2,0,0]=4 482 B6R0.6 CCC\C=C/CO LQ1528 [0,1,1,0,0,0|0,1,1]=4 483 B6R0.6 CCNCCC#N RT4893 [0,1,1,0,0,0|1,0,1]=4 484 B6R0.6 CCNCCCN HL4191 [0,1,1,0,0,0|1,0,0]=3 485 B6R0.6 CCOCCC#N LQ3792 [0,1,1,0,0,0|1,0,1]=4 486 B6R0.6 CCOCCC#N LT2930 [0,1,1,0,0,0|1,0,1]=4 487 B6R0.6 CCOCCCCl XJ5236 [0,1,1,0,0,0|1,0,0]=3 488 B6R0.6 CCOCCOC LQ2802 [0,1,1,0,0,0|1,1,0]=4 489 B6R0.6 CCSCSCC RT19812 [0,1,1,0,0,0|2,0,0]=4 490 B6R0.6 CC\C=C/CCO LT4581 [0,1,1,0,0,0|0,1,1]=4 491 B6R0.6 CC\C=C\CCC HL0123 [0,1,1,0,0,0|1,0,1]=4 492 B6R0.6 CNCCCNC XJ0389 [0,1,1,0,0,0|2,0,0]=4 493 B6R0.6 CSCCCSC LQ4459 [0,1,1,0,0,0|1,0,0]=3 494 B6R0.6 C\C=C\CCCO XJ3000 [0,1,1,0,0,0|0,1,1]=4 495 B6R0.6 ClCCCCCI XJ5888 [0,1,1,0,0,0|1,0,0]=3 496 B6R0.6 ClCCNCCCl LQ1470 [0,1,1,0,0,0|2,0,0]=4 497 B6R0.6 ClCCOCCI YH66175 [0,1,1,0,0,0|2,0,0]=4 498 B6R0.6 ICCCCCI HL0288 [0,1,1,0,0,0|1,0,0]=3 499 B6R0.6 N#CCCCCBr HL2959 [0,1,1,0,0,0|1,0,1]=4 500 B6R0.6 NCCCCCBr RT0436 [0,1,1,0,0,0|1,0,0]=3 501 B6R0.6 NCCCCCN LQ0829 [0,1,1,0,0,0|1,0,0]=3 502 B6R0.6 NCCCCCO HL2296 [0,1,1,0,0,0|0,1,0]=3 503 B6R0.6 NCCNCCN XJ0391 [0,1,1,0,0,0|2,0,0]=4 504 B6R0.6 NCCNCCO JZ0125 [0,1,1,0,0,0|1,1,0]=4 505 B6R0.6 NCCOCCO LQ1534 [0,1,1,0,0,0|1,1,0]=4 506 B6R0.6 O=CCCCCO YH66094 [0,1,1,0,0,0|0,1,1]=4 507 B6R0.6 OCCCCCCl JZ2653 [0,1,1,0,0,0|0,1,0]=3 508 B6R0.6 OCCNCCO LT7673 [0,1,1,0,0,0|1,1,0]=4 509 B6R0.6 OCCOCCCl JZ0962 [0,1,1,0,0,0|1,1,0]=4 510 B6R0.6 OCCSCCO XJ0395 [0,1,1,0,0,0|1,1,0]=4 511 B6R0.6 SCCSCCS JZ2349 [0,1,1,0,0,0|1,0,0]=3 512 B6R0.8 CCC(C)(C)CC LQ1054 [0,1,1,0,0,0|1,0,0]=3 513 B6R0.8 CCP(=O)(Cl)CC XJ1551 [0,1,1,0,0,0|1,1,0]=4 514 B6R0.8 CCS(=O)(=O)CC LQ1119 [0,1,1,0,0,0|1,1,0]=4 515 B6R0.8 CC[Sn](Cl)(Cl)CC XJ1383 [0,1,1,0,0,0|2,0,0]=4 516 B6R0.9 CCC(CC)CN LQ1208 [0,1,1,0,0,0|1,0,0]=3 517 B6R0.9 CCN(C=O)CC LQ1209 [0,1,1,0,0,0|1,1,0]=4 518 B6R0.9 CCN(CC)CC JZ4026 [0,1,1,0,0,0|2,0,0]=4 519 B6R0.9 CCN(CC)CC XJ1326 [0,1,1,0,0,0|2,0,0]=4 520 B6R0.9 CCN(CC)CC YH28671 [0,1,1,0,0,0|2,0,0]=4 521 B6R0.9 CC[SiH](CC)CC LT6209 [0,1,1,0,0,0|1,1,0]=4 522 B6R0.9 [BH-](CC)(CC)CC YH47632 [0,1,1,0,0,0|2,0,0]=4 523 B6R1.4 O=C1CCC1Cl RT13553 [0,1,0,0,1,0|0,1,1]=4 524 B6R1.5 CN1CC(N)C1 YH98280 [0,1,0,0,1,0|2,0,0]=4 525 B6R1.5 NC1CC(F)C1 RT0521 [0,1,0,0,1,0|1,0,0]=3 526 B6R1.5 NC1CC(N)C1 LX3212 [0,1,0,0,1,0|1,0,0]=3 527 B6R1.5 N[C@H]1C[C@@H](O)C1 YH65443 [0,1,0,0,1,0|0,1,0]=3 528 B6R1.6 BrCC1CCC1 YH39750 [0,1,0,0,1,0|1,0,0]=3 529 B6R1.6 CNC1CNC1 YH49217 [0,1,0,0,1,0|2,0,0]=4 530 B6R1.6 N#CC1CCC1 XJ2664 [0,1,0,0,1,0|1,0,0]=3 531 B6R1.6 NCC1CCC1 JZ2551 [0,1,0,0,1,0|1,0,0]=3 532 B6R1.6 OCC1CCC1 LT4668 [0,1,0,0,1,0|0,1,0]=3 533 B6R1.10 CC1(C)CNC1 YH93840 [0,1,0,0,1,0|2,0,0]=4 534 B6R1.10 CC1(N)COC1 YH91545 [0,1,0,0,1,0|2,0,0]=4 535 B6R1.10 FC1(F)CNC1 CJ2497 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.2 BrCC1COCCO1 RT8614 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.2 C=CC1CC=CCC1 HL1264 [0,1,0,0,0,1|1,0,1]=4 538 B8R1.2 CCC1CCCCC1 LQ1884 [0,1,0,0,0,1|1,0,0]=3 539 B8R1.2 CCC1CCCCN1 HL0893 [0,1,0,0,0,1|1,0,0]=3 540 B8R1.2 CCN1CCCCC1 JZ0120 [0,1,0,0,0,1|2,0,0]=4 541 B8R1.2 CCN1CCNCC1 JZ0119 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.2 CC[C@H]1CNCCN1 YH45335 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.2 CNC1CCCNC1 LT0416 [0,1,0,0,0,1|1,0,0]=3 544 B8R1.2 CNC1CCNCC1 YH02204 [0,1,0,0,0,1|1,0,0]=3 545 B8R1.2 CNC1CCOCC1 YH47081 [0,1,0,0,0,1|1,0,0]=3 546 B8R1.2 Cl[Mg]C1CCCCC1 LQ1557 [0,1,0,0,0,1|1,0,0]=3 547 B8R1.2 N#CC1=CCCCC1 HL2032 [0,1,0,0,0,1|1,0,1]=4 548 B8R1.2 N#CC1CCCCC1 XJ1358 [0,1,0,0,0,1|1,0,0]=3 549 B8R1.2 N#CC1CCCCN1 LT6523 [0,1,0,0,0,1|1,0,0]=3 550 B8R1.2 N#CC1CCCNC1 YH17001 [0,1,0,0,0,1|1,0,0]=3 551 B8R1.2 N#CC1CCNCC1 YH48709 [0,1,0,0,0,1|1,0,0]=3 552 B8R1.2 N#CC1CNCCN1 HL3766 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.2 NCC1CCCCO1 YH12666 [0,1,0,0,0,1|1,0,0]=3 554 B8R1.2 NCC1CCCNC1 LQ4363 [0,1,0,0,0,1|1,0,0]=3 555 B8R1.2 NCC1CCNCC1 LT0451 [0,1,0,0,0,1|1,0,0]=3 556 B8R1.2 NCC1CCOCC1 HL3392 [0,1,0,0,0,1|1,0,0]=3 557 B8R1.2 NNC1CCCCC1 LX2848 [0,1,0,0,0,1|1,0,0]=3 558 B8R1.2 NNC1CCCCC1 YH12039 [0,1,0,0,0,1|1,0,0]=3 559 B8R1.2 O=CC1=CCCCC1 JZ4462 [0,1,0,0,0,1|0,1,1]=4 560 B8R1.2 O=CC1CCCCC1 JZ0373 [0,1,0,0,0,1|0,1,0]=3 561 B8R1.2 O=CC1CCCCC1 LT7159 [0,1,0,0,0,1|0,1,0]=3 562 B8R1.2 O=CC1CCNCC1 YH04107 [0,1,0,0,0,1|0,1,0]=3 563 B8R1.2 O=CN1CCCCC1 JZ2045 [0,1,0,0,0,1|1,1,0]=4 564 B8R1.2 O=CN1CCNCC1 JZ3205 [0,1,0,0,0,1|1,1,0]=4 565 B8R1.2 O=CN1CCOCC1 JZ2522 [0,1,0,0,0,1|1,1,0]=4 566 B8R1.2 O=NN1CCNCC1 RT15111 [0,1,0,0,0,1|1,1,0]=4 567 B8R1.2 O=NN1CCOCC1 RT17897 [0,1,0,0,0,1|1,1,0]=4 568 B8R1.2 OCC1CCCCC1 HL1270 [0,1,0,0,0,1|0,1,0]=3 569 B8R1.2 OCC1CCCCN1 LT1609 [0,1,0,0,0,1|0,1,0]=3 570 B8R1.2 OCC1CCCNC1 LT0402 [0,1,0,0,0,1|0,1,0]=3 571 B8R1.2 OCC1CCNCC1 LT0484 [0,1,0,0,0,1|0,1,0]=3 572 B8R1.2 OCC1CCOCC1 JZ4923 [0,1,0,0,0,1|0,1,0]=3 573 B8R1.2 OCC1CNCCN1 YH52067 [0,1,0,0,0,1|1,1,0]=4 574 B8R1.2 OCC1CNCCO1 HL3143 [0,1,0,0,0,1|1,1,0]=4 575 B8R1.2 OCC1COCCN1 YH23562 [0,1,0,0,0,1|1,1,0]=4 576 B8R1.2 OCC1COCCO1 RT8627 [0,1,0,0,0,1|1,1,0]=4 577 B8R1.2 OC[C@@H]1CNCCN1 YH35885 [0,1,0,0,0,1|1,1,0]=4 578 B8R1.2 OC[C@@H]1CNCCO1 YH31815 [0,1,0,0,0,1|1,1,0]=4 579 B8R1.2 OC[C@H]1COCCN1 YH45867 [0,1,0,0,0,1|1,1,0]=4 580 B8R1.2 ONC1CCCCC1 JZ5616 [0,1,0,0,0,1|0,1,0]=3 581 B8R1.3 CC1CCC(=O)CC1 HL0070 [0,1,0,0,0,1|1,0,0]=3 582 B8R1.3 CC1CCC(N)CC1 LQ3073 [0,1,0,0,0,1|1,0,0]=3 583 B8R1.3 CC1CCC(N)CC1 YH66269 [0,1,0,0,0,1|1,0,0]=3 584 B8R1.3 CN1CCC(=O)CC1 RT15013 [0,1,0,0,0,1|0,1,1]=4 585 B8R1.3 CN1CCC(Cl)CC1 LT0472 [0,1,0,0,0,1|1,0,0]=3 586 B8R1.3 CN1CCC(O)CC1 HL1315 [0,1,0,0,0,1|0,1,0]=3 587 B8R1.3 CN1CCC(O)CC1 XJ5174 [0,1,0,0,0,1|0,1,0]=3 588 B8R1.3 CN1CCN(N)CC1 LT2849 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.3 C[C@@H]1CN[C@H](C)CN1 YH10909 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.3 C[C@H]1CC[C@@H](N)CC1 RT3963 [0,1,0,0,0,1|1,0,0]=3 591 B8R1.3 C[C@H]1CC[C@@H](O)CC1 JZ3188 [0,1,0,0,0,1|0,1,0]=3 592 B8R1.3 C[C@H]1CC[C@H](O)CC1 JZ3189 [0,1,0,0,0,1|0,1,0]=3 593 B8R1.3 C[C@H]1CN[C@H](C)CN1 YH51692 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.3 NC1CCC(N)CC1 YH53689 [0,1,0,0,0,1|1,0,0]=3 595 B8R1.3 N[C@H]1CC[C@@H](O)CC1 YH00053 [0,1,0,0,0,1|0,1,0]=3 596 B8R1.3 N[C@H]1CC[C@H](N)CC1 YH50326 [0,1,0,0,0,1|1,0,0]=3 597 B8R1.3 N[C@H]1CC[C@H](O)CC1 LT5722 [0,1,0,0,0,1|0,1,0]=3 598 B8R1.3 N[C@H]1CC[C@H](O)CC1 YH04278 [0,1,0,0,0,1|0,1,0]=3 599 B8R1.3 O=C1CCC(=O)CC1 JZ4052 [0,1,0,0,0,1|0,1,1]=4 600 B8R1.3 O=C1CCC(O)CC1 LQ3627 [0,1,0,0,0,1|0,1,0]=3 601 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [0,1,0,0,0,1|0,1,1]=4 602 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [0,1,0,0,0,1|0,1,1]=4 603 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [0,1,0,0,0,1|0,1,1]=4 604 B8R1.3 OC1COC(O)CO1 YH48124 [0,1,0,0,0,1|1,1,0]=4 605 B8R1.4 CC1CCCC(=O)O1 LQ1481 [0,1,0,0,0,1|0,1,1]=4 606 B8R1.4 CC1CCCC(C)C1 HL0097 [0,1,0,0,0,1|1,0,0]=3 607 B8R1.4 CC1CCCC(O)C1 HL0098 [0,1,0,0,0,1|0,1,0]=3 608 B8R1.4 CC1CCNC(=N)C1 LT0381 [0,1,0,0,0,1|1,0,1]=4 609 B8R1.4 CC1CNCC(C)C1 LQ4869 [0,1,0,0,0,1|1,0,0]=3 610 B8R1.4 CC1CNCC(C)O1 XJ0589 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.4 CN1CCCC(N)C1 LT0403 [0,1,0,0,0,1|1,0,0]=3 612 B8R1.4 CN1CCCC(O)C1 JZ2330 [0,1,0,0,0,1|0,1,0]=3 613 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [0,1,0,0,0,1|0,1,1]=4 614 B8R1.4 C[C@H]1CCC[C@@H](O)C1 LQ4462 [0,1,0,0,0,1|0,1,0]=3 615 B8R1.4 C[C@H]1CCC[C@H](C)N1 XJ1360 [0,1,0,0,0,1|1,0,0]=3 616 B8R1.4 C[C@H]1CNC[C@@H](C)N1 LT0198 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.4 C[C@H]1CNC[C@@H](C)O1 RT15039 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.4 C[C@H]1COC[C@@H](C)N1 YH97076 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.4 C[C@H]1COC[C@H](C)N1 YH36836 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.4 NC1CCCC(=O)C1 YH35862 [0,1,0,0,0,1|1,0,0]=3 621 B8R1.4 NC1CCCC(O)C1 JZ2994 [0,1,0,0,0,1|0,1,0]=3 622 B8R1.4 NC1CCNC(=O)C1 JZ2737 [0,1,0,0,0,1|0,1,1]=4 623 B8R1.4 O=C1CC(O)CCN1 HL4116 [0,1,0,0,0,1|0,1,1]=4 624 B8R1.4 OC1CCCC(O)C1 XJ0873 [0,1,0,0,0,1|0,1,0]=3 625 B8R1.5 C=C1CCCCC1Cl RT11015 [0,1,0,0,0,1|1,0,0]=3 626 B8R1.5 CC1CCCCC1=O XJ1009 [0,1,0,0,0,1|1,0,0]=3 627 B8R1.5 CC1CCCCC1C XJ1006 [0,1,0,0,0,1|1,0,0]=3 628 B8R1.5 CC1CCCCC1O XJ1008 [0,1,0,0,0,1|0,1,0]=3 629 B8R1.5 CC1CNCCC1=O YH08115 [0,1,0,0,0,1|0,1,1]=4 630 B8R1.5 C[C@@H]1CCCC[C@H]1N YH96335 [0,1,0,0,0,1|1,0,0]=3 631 B8R1.5 NC1CCCCC1N LQ1351 [0,1,0,0,0,1|1,0,0]=3 632 B8R1.5 NC1CCCCC1O JZ2993 [0,1,0,0,0,1|0,1,0]=3 633 B8R1.5 NC1CCCC[C@H]1N RT4156 [0,1,0,0,0,1|1,0,0]=3 634 B8R1.5 NC1CCCNC1=O YH33632 [0,1,0,0,0,1|0,1,1]=4 635 B8R1.5 NC1COCCC1O YH55045 [0,1,0,0,0,1|0,1,0]=3 636 B8R1.5 NN1CCCCC1=O YH54161 [0,1,0,0,0,1|0,1,1]=4 637 B8R1.5 N[C@@H]1CCCC[C@H]1N HL4195 [0,1,0,0,0,1|1,0,0]=3 638 B8R1.5 N[C@@H]1CCCC[C@H]1N RT4814 [0,1,0,0,0,1|1,0,0]=3 639 B8R1.5 N[C@@H]1CCCC[C@H]1N XJ1617 [0,1,0,0,0,1|1,0,0]=3 640 B8R1.5 N[C@@H]1CCCC[C@H]1O LQ2896 [0,1,0,0,0,1|0,1,0]=3 641 B8R1.5 N[C@@H]1COCC[C@H]1O RT15009 [0,1,0,0,0,1|0,1,0]=3 642 B8R1.5 N[C@H]1CCCC[C@@H]1N YH46273 [0,1,0,0,0,1|1,0,0]=3 643 B8R1.5 N[C@H]1CCCC[C@H]1N XJ1753 [0,1,0,0,0,1|1,0,0]=3 644 B8R1.5 N[C@H]1COCC[C@@H]1O RT15007 [0,1,0,0,0,1|0,1,0]=3 645 B8R1.5 O=C1CCCCC1=O XJ1356 [0,1,0,0,0,1|0,1,1]=4 646 B8R1.5 O=C1CCCCC1Br LX2735 [0,1,0,0,0,1|1,0,0]=3 647 B8R1.5 O=C1CCCCC1Cl LQ1480 [0,1,0,0,0,1|1,0,0]=3 648 B8R1.5 O=C1CCCCC1F LQ1350 [0,1,0,0,0,1|1,0,0]=3 649 B8R1.5 O=C1CCNCC1F YH23614 [0,1,0,0,0,1|0,1,1]=4 650 B8R1.5 O=C1CCOCC1O CJ3043 [0,1,0,0,0,1|0,1,1]=4 651 B8R1.5 OC1CCCCC1O LQ1555 [0,1,0,0,0,1|0,1,0]=3 652 B8R1.5 O[C@@H]1CCCC[C@@H]1Cl LT2047 [0,1,0,0,0,1|0,1,0]=3 653 B8R1.5 O[C@@H]1CCCC[C@H]1F XJ1265 [0,1,0,0,0,1|0,1,0]=3 654 B8R1.5 O[C@H]1CCCC[C@H]1O XJ1939 [0,1,0,0,0,1|0,1,0]=3 655 B8R1.5 [NH-][C@@H]1CCCC[C@H]1[NH-] RT4589 [0,1,0,0,0,1|1,0,0]=3 656 B8R1.72 CC1(C)CNCCN1 YH65105 [0,1,0,0,0,1|2,0,0]=4 657 B8R1.72 CC1(O)CCCCC1 HL0085 [0,1,0,0,0,1|0,1,0]=3 658 B8R1.72 CC1(O)CCCCC1 XJ4851 [0,1,0,0,0,1|0,1,0]=3 659 B8R1.72 FC1(F)CCNCC1 LT0419 [0,1,0,0,0,1|1,0,0]=3 660 B8R1.72 FC1(F)CCNCC1 YH46901 [0,1,0,0,0,1|1,0,0]=3 661 B8R1.72 O=S1(=O)CCCCO1 HL0926 [0,1,0,0,0,1|1,1,0]=4 662 B8R1.72 O=S1(=O)CCNCC1 XJ5849 [0,1,0,0,0,1|1,1,0]=4 663 B8R1.72 O=S1(=O)CCNCC1 YH58761 [0,1,0,0,0,1|1,1,0]=4 664 B8R1.72 O=S1(=O)CCOCC1 HL1362 [0,1,0,0,0,1|1,1,0]=4 665 B8R1.72 OC1(O)CCNCC1 RT17541 [0,1,0,0,0,1|0,1,0]=3 666 B8R1.1 CC1CCC(CO)O1 RT14154 [0,2,0,0,0,0|1,1,0]=4 667 B8R1.7 CC(=O)C1CCCC1 RT17591 [0,2,0,0,0,0|0,1,0]=3 668 B8R1.7 CN(C)[C@@H]1CCNC1 LL2116 [0,2,0,0,0,0|2,0,0]=4 669 B8R1.7 CN(C)[C@H]1CCNC1 LL2110 [0,2,0,0,0,0|2,0,0]=4 670 B8R1.7 C[C@H](N)C1CCCC1 RT17675 [0,2,0,0,0,0|1,0,0]=3 671 B8R1.7 NC(=O)C1CCCN1 RT6733 [0,2,0,0,0,0|1,1,0]=4 672 B8R1.7 NC(=O)[C@@H]1CCCN1 LT6095 [0,2,0,0,0,0|1,1,0]=4 673 B8R1.7 O=C(O)C1CCCO1 LT5095 [0,2,0,0,0,0|1,1,0]=4 674 B8R1.7 O=C(O)C1CCNC1 YH08955 [0,2,0,0,0,0|1,1,0]=4 675 B8R1.7 O=C(O)[C@@H]1CCCN1 JZ0527 [0,2,0,0,0,0|1,1,0]=4 676 B8R1.7 O=C(O)[C@@H]1CCCO1 XJ6513 [0,2,0,0,0,0|1,1,0]=4 677 B8R1.7 O=C(O)[C@@H]1CCNC1 YH13838 [0,2,0,0,0,0|1,1,0]=4 678 B8R1.7 O=C(O)[C@@H]1CCOC1 YH12920 [0,2,0,0,0,0|1,1,0]=4 679 B8R1.7 O=C(O)[C@H]1CCCO1 XJ6512 [0,2,0,0,0,0|1,1,0]=4 680 B8R1.7 O=C(O)[C@H]1CCNC1 JZ0220 [0,2,0,0,0,0|1,1,0]=4 681 B8R1.7 O=C(O)[C@H]1CCNC1 LT4960 [0,2,0,0,0,0|1,1,0]=4 682 B8R1.7 O=C(O)[C@H]1CCOC1 YH39058 [0,2,0,0,0,0|1,1,0]=4 683 B8R1.7 O=[N+]([O-])C1CCCC1 LQ2246 [0,2,0,0,0,0|0,1,0]=3 684 B8R1.8 BrCCN1CCCC1 LX2478 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.8 BrCCN1CCCC1 YH06128 [0,2,0,0,0,0|2,0,0]=4 686 B8R1.8 C#CCC1CCCC1 HL3291 [0,2,0,0,0,0|1,0,0]=3 687 B8R1.8 CCOC1CCCO1 XJ3908 [0,2,0,0,0,0|1,1,0]=4 688 B8R1.8 ClCCN1CCCC1 HL2871 [0,2,0,0,0,0|2,0,0]=4 689 B8R1.8 ClCCN1CCCC1 LQ3213 [0,2,0,0,0,0|2,0,0]=4 690 B8R1.8 N#CCC1CCCC1 LQ1738 [0,2,0,0,0,0|1,0,0]=3 691 B8R1.8 O=CCC1CCCC1 RT17688 [0,2,0,0,0,0|0,1,0]=3 692 B8R1.8 O=CCC1CCCO1 RT17487 [0,2,0,0,0,0|1,1,0]=4 693 B8R1.8 O=CCC1CCOC1 RT15000 [0,2,0,0,0,0|1,1,0]=4 694 B8R1.8 OCCC1CCNC1 YH96359 [0,2,0,0,0,0|1,1,0]=4 695 B8R1.8 OCCN1CCCC1 JZ2200 [0,2,0,0,0,0|1,1,0]=4 696 B8R1.11 CCC1CCCC1=O XJ2821 [0,2,0,0,0,0|0,1,1]=4 697 B8R1.11 C[C@H]1CNC[C@@H]1CO YH97380 [0,2,0,0,0,0|1,1,0]=4 698 B8R1.11 N#CC1CCCC1=O JZ2170 [0,2,0,0,0,0|0,1,1]=4 699 B8R1.52 N#CC1(N)CCCC1 RT4882 [0,2,0,0,0,0|1,0,0]=3 700 B8R1.50 CC1CCC(C)C1N RT4729 [0,2,0,0,0,0|1,0,0]=3 701 B8R1.50 CC1CCC(O)C1O XJ4948 [0,2,0,0,0,0|0,1,0]=3 702 B8R1.51 NC1CCC(F)(F)C1 CJ2131 [0,2,0,0,0,0|1,0,0]=3 703 B8R1.19 CC1(C)CCCC1N RT4727 [0,2,0,0,0,0|1,0,0]=3 704 B6R1.3 ICCC1CC1 YH66394 [0,0,1,1,0,0|2,0,0]=4 705 B6R1.3 [C@@H]1(COC)CO1 LL1074 [0,0,1,1,0,0|1,1,0]=4 706 B6R1.8 CC1CC1CO JZ2852 [0,0,1,1,0,0|2,0,0]=4 707 B6R1.11 CC(=O)C1CC1 LT4698 [0,0,1,1,0,0|0,1,1]=4 708 B6R1.11 C[C@H](N)C1CC1 LL2540 [0,0,1,1,0,0|1,0,0]=3 709 B6R1.1 C1=CCCCC1 LL0447 [0,0,1,1,0,0|1,0,1]=4 710 B6R1.1 C1CC[NH2+]CC1 HL2776 [0,0,1,1,0,0|1,0,0]=3 711 B6R1.1 C1CNCCN1 JZ0122 [0,0,1,1,0,0|2,0,0]=4 712 B6R1.1 C1CNCCN1 JZ2867 [0,0,1,1,0,0|2,0,0]=4 713 B6R1.1 C1CNCCN1 LQ3756 [0,0,1,1,0,0|2,0,0]=4 714 B6R1.1 C1COCCN1 YH20292 [0,0,1,1,0,0|1,1,0]=4 715 B6R1.1 C1COCCO1 XJ5344 [0,0,1,1,0,0|1,1,0]=4 716 B6R1.1 C1COCCO1 XJ5710 [0,0,1,1,0,0|1,1,0]=4 717 B6R1.1 C1CSCCS1 XJ0886 [0,0,1,1,0,0|1,0,0]=3 718 B6R1.1 C1CSCSC1 XJ0885 [0,0,1,1,0,0|1,0,0]=3 719 B6R1.1 N1CCNCC1 HL1555 [0,0,1,1,0,0|2,0,0]=4 720 B6R1.7 NC1(CO)CC1 LX2522 [0,0,1,1,0,0|2,0,0]=4 721 B6R1.7 NC1(CO)CC1 YH26091 [0,0,1,1,0,0|2,0,0]=4 722 B6R1.7 NCC1(O)CC1 YH16826 [0,0,1,1,0,0|1,1,0]=4 723 B8R2.25 C1CCC2OC2C1 LL0621 [0,0,0,1,0,1|0,1,0]=3 724 B8R2.25 C1CCC2SC2C1 YH66062 [0,0,0,1,0,1|0,0,0]=2 725 B8R2.34 C1CC2CCC1C2 LL0614 [0,0,0,1,0,1|1,0,0]=3 726 B8R2.34 C1CC2CCC1O2 LL0615 [0,0,0,1,0,1|0,1,0]=3 727 B8R2.34 C1O[C@@H]2CN[C@H]1C2 YH53958 [0,0,0,1,0,1|2,0,0]=4 728 B8R2.55 C1CC2(CC2)CN1 RT15053 [0,1,0,1,0,0|2,0,0]=4 729 B4R1.1 C1CNC1 LX2166 [1,0,0,0,1,0|1,0,0]=3 730 B4R1.1 C1CNC1 XJ0867 [1,0,0,0,1,0|1,0,0]=3 731 B4R1.2 BrC1CC1 JZ2471 [0,0,0,0,2,0|1,0,0]=3 732 B4R1.2 CC1CN1 RT4107 [0,0,0,0,2,0|2,0,0]=4 733 B4R1.2 C[C@H]1CO1 XJ4234 [0,0,0,0,2,0|2,0,0]=4 734 B4R1.2 ClC1CC1 XJ1608 [0,0,0,0,2,0|1,0,0]=3 735 B4R1.2 [C@@H]1(C)CO1 YH36802 [0,0,0,0,2,0|2,0,0]=4 736 B8R1.22 CC1CCCCCN1 RT15388 [0,0,0,0,0,2|1,0,0]=3 737 B8R1.22 CC1CCCNCC1 RT15402 [0,0,0,0,0,2|1,0,0]=3 738 B8R1.22 CN1CCCNCC1 LQ2672 [0,0,0,0,0,2|2,0,0]=4 739 B8R1.22 NC1CCCCCC1 LQ2890 [0,0,0,0,0,2|1,0,0]=3 740 B8R1.22 NC1CCCCNC1 YH66537 [0,0,0,0,0,2|1,0,0]=3 741 B8R1.22 NN1CCCCCC1 LT0330 [0,0,0,0,0,2|2,0,0]=4 742 B8R1.22 O=C1CCCCCC1 LT4672 [0,0,0,0,0,2|0,1,1]=4 743 B8R1.22 O=C1CCCNCC1 XJ5502 [0,0,0,0,0,2|0,1,1]=4 744 B8R1.22 O=C1COCCOC1 YH51929 [0,0,0,0,0,2|0,1,1]=4 745 B8R1.22 OC1CCCCCC1 XJ0857 [0,0,0,0,0,2|0,1,0]=3