0 B6R0.1 CCCC(=O)OC 20-0400 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 CCC[C@@H](O)CC 40-0600 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.1 C=C(C)OCC 08-3147 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 CCCB(O)O 08-422 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 CCCC(=O)O 10-0400 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 CNCC(=O)O 04-2418 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CNCC(=O)O BIO-957 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 NCCC(=O)O 025502 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 O=C(O)CCCl CS-222 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 CCCCCC 05-0600 [1,0,0,0,0,0|0,0,2]=3 10 B5R0.2 CCCCCF 26-1004 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.2 CCCCCO 40-0500 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.2 CCO\C=C/Br 08-929 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 FCCCCBr 09-3175 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 FCCCCF 27-110 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 NCCCCN BIO-341 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 NCCCCN BIO-688 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 CC[C@H](C)CO 025049S [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 CC[C@H](C)NN 08-9272 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.3 O=C[C@@H](O)CO BIO-609 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.3 O=C[C@@H](O)CO BIO-610 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.3 OC(CF)CF 26-701 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 O[C@@H](CF)CCl 26-408 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.2 CC(C)C[C@H](N)CO 024045 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.2 CC(C)C[C@H](N)CO 04-1926 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.3 CSCC[C@H](N)CO 022900 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.3 CSCC[C@H](N)CO 04-2082 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.5 CCC[C@H](N)C(=O)O 021880 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.5 CCC[C@H](N)C(N)=O 04-2207 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.5 CSC[C@H](N)C(=O)O 025849 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.5 N[C@@H](CCS)C(=O)O BIO-615 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.10 CC[C@@H](C)[C@@H](N)CO 04-1851 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.10 CC[C@H](O)[C@H](N)CO 56-1309 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.10 OC[C@H](O)[C@@H](S)CS MB1015 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.10 OC[C@H](O)[C@H](O)CO 024100 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.10 O[C@H](CS)[C@@H](O)CS BIO-171 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.12 COC(CCBr)OC 08-10545 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.1 FC[C@H]1CCCN1 08-5262 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.1 N#C[C@@H]1CCCN1 08-10629 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.1 NCC1CCCC1 08-3096 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.1 NC[C@H]1CCCO1 08-8019 [0,0,0,1,0,0|1,0,1]=3 43 B7R1.1 NNC1CCCC1 08-10323 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.1 OC[C@H]1CCCN1 04-1811 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.1 OC[C@H]1CCCN1 04-1812 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.1 OC[C@H]1CCCN1 24-1413 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.2 CN1CC[C@H](O)C1 024105 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.2 CN1CC[C@H](O)C1 025079 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.2 CN1CC[C@H](O)C1 08-5293 [0,0,0,1,0,0|1,0,2]=4 50 B7R1.2 NC1CCC(O)C1 08-6214 [0,0,0,1,0,0|1,0,2]=4 51 B7R1.3 FC1CCCCC1 26-889 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.3 F[C@H]1CCCNC1 08-7348 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.3 F[C@H]1CCCNC1 19-2157 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 F[C@H]1CCCNC1 24-1864 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.3 NC1CCCCC1 BIO-325 [0,0,0,1,0,0|1,0,2]=4 56 B7R1.3 NC1CCCCC1 BIO-931 [0,0,0,1,0,0|1,0,2]=4 57 B7R1.3 N[C@H]1CCCOC1 08-5691 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.3 OC1CCOCC1 08-5300 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.3 O[C@H]1CCCNC1 08-5291 [0,0,0,1,0,0|1,0,1]=3 60 B7R1.4 N[C@H]1CCSC1=O BIO-831 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.4 O=C1NCC[C@@H]1Br 08-10050 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.4 O=C1NCC[C@H]1O 08-10451 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [0,0,0,1,0,0|1,0,1]=3 64 B7R1.4 O[C@H]1COC[C@H]1O 024464 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.25 C#CC1(O)COC1 08-7273 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.25 CC1(CN)CCC1 08-5468 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.25 NCC1(O)COC1 08-7424 [0,0,0,1,0,0|2,0,1]=4 68 B4R0.1 CC(C)C=O CS-446 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 CCB(O)O 08-278 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.1 CCC(=O)O 10-0300 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.2 C=CCNN 08-9875 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.2 CCCCO 40-0400 [2,0,0,0,0,0|0,0,0]=2 73 B4R0.2 CCCNN 08-9468 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.2 ClCCCI 08-5068 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.2 FCCCF 26-3361 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.2 NCCCCl 19-913 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.2 OCCCF 26-3886 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.2 CC(C)CB(O)O 08-353 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.2 CC(C)CC(=O)O 022864S [1,1,0,0,0,0|1,0,1]=4 80 B6R0.2 C[C@H](O)CC(=O)O 021350 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.3 CC[C@H](N)C(=O)O 04-246 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.3 CC[C@H](N)C(=O)O 04-247 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.3 C[C@H](O)[C@@H](N)CO 04-2510 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.4 CCCCC(=O)O 025124 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.4 CCCCC(=O)O 71-0509 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.4 NCCCC(=O)O 020706 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.4 NCCCC(=O)O 06-1637 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.6 CCCCCC=O 023326S [1,1,0,0,0,0|0,0,1]=3 89 B6R0.6 CCCCCCC 05-0700 [1,1,0,0,0,0|0,0,2]=4 90 B6R0.6 CCCCCCF 26-926 [1,1,0,0,0,0|0,0,2]=4 91 B6R0.6 N#CCCCCN 08-6256 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 04-1840 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 04-1841 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O 04-1839 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O BIO-227 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O 04-1842 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.5 CCC[C@H](O)CC(=O)O 14-0603 [0,2,0,0,0,0|0,0,1]=3 98 B8R0.23 CC(C)C[C@H](N)C(=O)O 04-1892 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.23 CC(C)C[C@H](N)C(=O)O BIO-234 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.23 CC(C)C[C@H](N)C(N)=O 04-1898 [0,2,0,0,0,0|2,0,0]=4 101 B8R0.23 CC(C)C[C@H](N)C(N)=O 20-3200 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.23 CC(C)C[C@H](N)C(N)=O 22-401 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.3 CCC[C@H](N)C(=O)OC 04-2209 [0,2,0,0,0,0|1,0,1]=4 104 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO BIO-777 [0,2,0,0,0,0|1,0,1]=4 105 B8R0.6 CCCCC[C@@H](O)CC 023170S [0,2,0,0,0,0|0,0,2]=4 106 B8R0.8 CCCC[C@H](N)C(=O)O 025863 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.8 CCCC[C@H](N)C(=O)O 24-1855 [0,2,0,0,0,0|2,0,0]=4 108 B8R0.8 CCCC[C@H](N)C(=O)O 25-080 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.8 CCCC[C@H](N)C(N)=O 04-2195 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.8 CSCC[C@H](N)C(=O)O 025848 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.8 CSCC[C@H](N)C(=O)O 25-041 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.8 CSCC[C@H](N)C(=O)O BIO-438 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.8 CSCC[C@H](N)C(N)=O 04-2070 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.8 C[Se]CC[C@H](N)C(=O)O 06-1368 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.8 NCCC[C@H](N)C(=O)O 04-2220 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.8 NCCC[C@H](N)C(=O)O 22-402 [0,2,0,0,0,0|2,0,0]=4 117 B6R1.2 C[C@H]1CCCN1 04-2368 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.2 O[C@H]1CCNC1 021873 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.2 O[C@H]1CCNC1 025212S [1,0,0,1,0,0|1,0,1]=4 120 B6R1.2 O[C@H]1CCNC1 025430 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.2 O[C@H]1CCNC1 08-5290 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.2 O[C@H]1CCOC1 025772 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.2 O[C@H]1CCOC1 08-5304 [1,0,0,1,0,0|1,0,1]=4 124 B6R1.5 CN1CC(O)C1 08-5286 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.5 NC1CC(O)C1 08-4590 [1,0,0,1,0,0|1,0,1]=4 126 B6R1.5 N[C@H]1C[C@@H](O)C1 08-4629 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.10 CC1(O)CNC1 08-5297 [1,0,0,1,0,0|1,0,1]=4 128 B6R1.10 CC1(O)COC1 08-7571 [1,0,0,1,0,0|1,0,1]=4 129 B6R1.11 OB(O)C1CC1 08-1049 [1,0,0,1,0,0|2,0,0]=4 130 B6R1.1 C1=CCNCC1 08-5660 [1,0,0,1,0,0|1,0,0]=3 131 B6R1.4 C[C@H]1COC1=O 08-7564 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.6 NCC1CCC1 08-5019 [1,0,0,1,0,0|1,0,1]=4 133 B6R1.6 NCC1CCC1 08-5062 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.6 NNC1CCC1 08-9700 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.1 C=C[C@@H]1CNC(=S)O1 06-545 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.4 CN1CCC[C@H](O)C1 020119S [0,1,0,1,0,0|0,0,2]=4 137 B8R1.4 CN1CCC[C@H](O)C1 020973S [0,1,0,1,0,0|0,0,2]=4 138 B8R1.4 CN1CCC[C@H](O)C1 08-5296 [0,1,0,1,0,0|0,0,2]=4 139 B8R1.4 C[C@H]1C[C@@H](O)CCN1 08-7714 [0,1,0,1,0,0|0,0,2]=4 140 B8R1.4 C[C@H]1C[C@@H](O)CCN1 26-1164 [0,1,0,1,0,0|0,0,2]=4 141 B8R1.4 NC1=CC(=O)CCC1 08-9979 [0,1,0,1,0,0|0,0,2]=4 142 B8R1.53 CC1(C)C[C@H](CBr)O1 08-6848 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.53 CC1(C)C[C@H](CN)O1 08-7229 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.53 CC1(C)C[C@H](CO)O1 08-5156 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.2 BrC[C@H]1CCCOC1 08-6793 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.2 CO[C@H]1CCCNC1 08-5475 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.2 O=CC1CCOCC1 08-1315 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.2 OC[C@H]1CCCCN1 021315 [0,1,0,1,0,0|1,0,1]=4 149 B8R1.2 OC[C@H]1CCCNC1 08-5593 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.5 NC1COCCC1O 08-6364 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.5 N[C@@H]1CCOC[C@@H]1O 20-2215 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.5 O=C1CCCC=C1Br 08-1639 [0,1,0,1,0,0|0,0,2]=4 153 B8R1.5 O=C1CCOC[C@@H]1Br 08-6716 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.5 O=C1CCOC[C@@H]1F 08-3979 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.52 NCC1(O)CCCC1 08-4643 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.7 NC(=O)[C@@H]1CCCN1 04-2362 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.7 NC(=O)[C@@H]1CCCN1 24-1863 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.7 O=C(O)[C@@H]1CCCN1 020707 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.7 O=C(O)[C@@H]1CCCN1 025642 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.7 O=C(O)[C@@H]1CCCN1 BIO-410 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.8 NCC[C@H]1CCCO1 08-5690 [0,1,0,1,0,0|0,0,2]=4 162 B8R1.72 C[C@]1(O)CCCNC1 08-5466 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.60 NCC1(CO)CCC1 08-4652 [0,1,0,1,0,0|1,0,1]=4 164 B8R1.60 OCC1(CO)CCC1 08-5078 [0,1,0,1,0,0|1,0,1]=4 165 B8R2.34 C1O[C@@H]2CN[C@H]1C2 08-3289 [0,0,0,2,0,0|1,0,1]=4