0 B7R0.1 BrCCCCCCBr AMY11215 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C#CCCCCCC AMY25742 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.1 C=CCCCCC=C AMY22303 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 C=CCCCCC=O AMY2455 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.1 C=CCCCCCCl AM85971 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 C=CCCCCCO AMY7500 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 C=CCCCCNC AMY41147 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 CCCCCON=O AMY3989 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 CNCCCCNC AMY13612 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 ClCCCCCCCl AM84762 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 N#CCCCCCBr AMY18606 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.1 N#CCCSCCO AMY25176 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 NCCCCCCO AMY18359 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.1 NCCCCCCS AMY32225 [0,0,0,0,0,0|1,1,1]=3 14 B7R0.1 NCCCNCCBr AM20090252 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 OCCCCCCBr AMY2822 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.1 OCCCCCCCl AMY25606 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.1 OCCCNCCO AMY15136 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 OCCCOCCCl AM806608 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 BrCCCCCBr AMY11214 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 C=CCCCCBr AM84859 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.6 C=CCCCCO AM20100796 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.6 C=COCCCN AMY3063 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 CCCCCCC AMY22304 [1,0,0,0,0,0|0,0,1]=2 24 B6R0.6 CCCCCCN AMY21942 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.6 CCCCNCC AMY3985 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.6 CCCCON=O AMY4016 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.6 CCOCCC#N AMY40959 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CCOCCCN AMY21920 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.6 CCOCCCO AM20080058 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.6 CCOCOCC AMY25683 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 COCCCCBr AMY9376 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.6 COCCCCO AM20080057 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 C\C=C\CCCO AMY2616 [1,0,0,0,0,0|0,0,3]=4 34 B6R0.6 ClCCNCCCl AM20100797 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.6 ClCCOCCCl AMY9389 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 FCCCCCBr AM20100088 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.6 N#CCCCCCl AM20100537 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 NCCCCCN AM61576 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.6 NCCNCCCl AMY10888 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.6 NCCOCCN AMY7556 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.6 NCCOCCO AMY18064 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 O=CCCCC=O AMY3308 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.6 O=CCCCCCl AMY772 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.6 OCCCCCBr AM20090543 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.6 OCCOCCBr AMY4498 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 OCCOCCCl AMY9387 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.1 C=CCCC(=O)OCC AMY3888 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.1 CCCC[C@H](N)CCO AM20080107 [0,1,0,0,0,0|0,0,2]=3 49 B8R0.1 CCOC(=O)CNC=O AM20090452 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.4 BrCCCCCCCBr AMY11216 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.4 CCCCCCCCBr AMY9377 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.4 CCCCCCCCN AMY21876 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.4 CCCCNCCCC AM20100543 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.4 CCCCNCCCC AMY21922 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCCOCCCC AMY14888 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.4 CCCCOCCCC AMY30969 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.4 CCCCOCCCN AMY21912 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.4 CCNCCCNCC AM20070653 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.4 CC\C=C/CCOC=O AM806738 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.4 COCCNCCCO AMY15137 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.4 COCCNCCOC AMY734 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.4 NCCCCCCCO AMY18876 [0,1,0,0,0,0|0,0,2]=3 63 B8R0.4 NCCCCNCCO AMY30916 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.4 NCCCNCCCN AMY14287 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.4 OCCCCCCCBr AM20070667 [0,1,0,0,0,0|0,0,2]=3 66 B8R0.4 OCCCCCCCO AMY22642 [0,1,0,0,0,0|0,0,2]=3 67 B8R0.4 OCCCNCCCO AMY202100020 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.6 BrCCCC[C@H](Br)CBr AMY7668 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.6 C#C[C@@H](O)CCCCC AMY17779 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.6 C#C[C@@H](O)CCCCC AMY20014 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.6 CCCCC[C@@H](Br)CC AMY12158 [0,1,0,0,0,0|1,0,1]=3 72 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.7 C=CCCCCC(=O)O AMY7501 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.7 CC(=O)CCCCCBr AMY24068 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.7 CC(=O)OCCCC=O AM10056 [0,1,0,0,0,0|1,0,1]=3 76 B8R0.7 CC(C)CCCCCBr AM806997 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.7 CC(C)NCCCCO AMY10379 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.7 CCCCCCB(O)O AMY30011 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.7 CCCCCCC(=O)O AMY41347 [0,1,0,0,0,0|0,0,0]=1 80 B8R0.7 CCCCCC[C@H](C)N AMY21971 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.7 CN(C)CCCCCN AMY37685 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.7 N=C(N)NCCCCN AMY8986 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.7 NCCCCCC(=O)O AM82438 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.7 NCCCCCC(=O)O AMY977 [0,1,0,0,0,0|1,0,0]=2 85 B8R0.7 NCCOCCC(=O)O AMY4548 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.7 O=C(Cl)CCCCCBr AMY14557 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.7 O=C(O)CCCCCBr AM20100119 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.7 O=C(O)CCCCCO AM10824 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.7 O=C(O)CCOCCO AMY4563 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.7 O=CCCCCC(=O)O AM84276 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.7 [N-]=[N+]=NCCCC(=O)O AMY21579 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.2 BrCC1CCCCC1 AM83288 [0,0,0,1,0,0|1,0,1]=3 93 B8R1.2 BrCC1CCNCC1 AM101156 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.2 BrCC1CCNCC1 AM90776 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.2 BrCC1CCNCC1 AMY20339 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.2 BrCC1CCOCC1 AM20080196 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.2 BrC[C@H]1CCCCN1 AM100687 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.2 BrC[C@H]1CCCCN1 AM100794 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.2 BrC[C@H]1CCCNC1 AM90414 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 BrC[C@H]1CCCNC1 AM94088 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.2 C#CC1CCCCC1 AMY1266 [0,0,0,1,0,0|1,0,1]=3 103 B8R1.2 C#CC1CCNCC1 AMY33844 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 C#CC1CCOCC1 AM20080147 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 C#C[C@H]1CCCNC1 AMY4285 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.2 CC=C1CCOCC1 AMY6099 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 CCC1CCNCC1 AM803694 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 CCN1CCCCC1 AMY23165 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.2 CC[C@@H]1COCCN1 AMY21373 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 CC[C@@H]1COCCN1 AMY21630 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.2 CC[C@H]1CNCCN1 AM81358 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,0,0,1,0,0|1,0,2]=4 114 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,0,0,1,0,0|1,0,2]=4 115 B8R1.2 CC[C@H]1COCCN1 AMY21416 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 CC[C@H]1COCCN1 AMY21733 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.2 CNC1CCCCC1 AM802809 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.2 CNC1CCNCC1 AM20100166 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.2 CNC1CCNCC1 AM98000 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.2 CNC1CCNCC1 AMY3391 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.2 CNC1CCOCC1 AM20090215 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.2 CN[C@H]1CCCNC1 AM100275 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.2 CN[C@H]1CCCNC1 AM10560 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.2 CN[C@H]1CCCNC1 AMY18447 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.2 COC1CCNCC1 AM20100080 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.2 COC1CCNCC1 AM9912 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.2 CO[C@H]1CCCNC1 AM101090 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.2 CO[C@H]1CCCNC1 AM101144 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.2 CO[C@H]1CCCNC1 AM101293 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.2 CO[C@H]1CCCNC1 AM10535 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.2 CSC1CCNCC1 AM20090171 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.2 ClCC1CCNCC1 AM100418 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.2 ClCC1CCNCC1 AM100986 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.2 ClC[C@H]1CCCCN1 AM100578 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.2 ClC[C@H]1CCCCN1 AM100956 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.2 ClC[C@H]1CCCNC1 AM100526 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.2 ClC[C@H]1CCCNC1 AM100760 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.2 ICC1CCNCC1 AM100873 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.2 ICC1CCNCC1 AM94101 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.2 ICC1CCOCC1 AM20070671 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.2 IC[C@H]1CCCCN1 AM94351 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.2 IC[C@H]1CCCNC1 AM91471 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.2 IC[C@H]1CCCNC1 AM94672 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.2 N#CC1CCCCC1 AM20070512 [0,0,0,1,0,0|1,0,1]=3 146 B8R1.2 N#CC1CCNCC1 AM81180 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.2 N#CC1CCNCC1 AMY4410 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.2 N#CC1CCOCC1 AM20100133 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.2 N#CC1CCSCC1 AMY10287 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.2 N#C[C@@H]1CCCNC1 AMY34413 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.2 N#C[C@H]1CCCNC1 AM804318 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.2 NCC1CCCCC1 AM803690 [0,0,0,1,0,0|1,0,1]=3 153 B8R1.2 NCC1CCNCC1 AMY3390 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.2 NCC1CCOCC1 AM20080212 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.2 NCC1CCOCC1 AM803826 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.2 NCC1CCSCC1 AMY35633 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.2 NC[C@H]1CCCCN1 AMY3381 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,0,0,1,0,0|1,0,2]=4 159 B8R1.2 NC[C@H]1CCCNC1 AMY11508 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.2 NNC1CCCCC1 AM803671 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.2 NNC1CCCCC1 AM9784 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.2 NNC1CCCCC1 AMY18126 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.2 NNC1CCNCC1 AM9811 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.2 NNC1CCOCC1 AM803017 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.2 NN[C@H]1CCCNC1 AM9839 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.2 NOC1CCCCC1 AMY27644 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,0,0,1,0,0|0,0,2]=3 170 B8R1.2 O=CC1=CCCOC1 AM803164 [0,0,0,1,0,0|1,0,2]=4 171 B8R1.2 O=CC1CCCCC1 AM83285 [0,0,0,1,0,0|0,0,0]=1 172 B8R1.2 O=CC1CCNCC1 AM100891 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.2 O=CC1CCNCC1 AM90778 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.2 O=CC1CCNCC1 AM98195 [0,0,0,1,0,0|1,0,0]=2 175 B8R1.2 O=CC1CCOCC1 AM1035 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.2 O=CN1CCCCC1 AMY3400 [0,0,0,1,0,0|1,0,0]=2 177 B8R1.2 O=CN1CCNCC1 AM81361 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.2 O=CN1CCOCC1 AMY23275 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,0,0,1,0,0|1,0,0]=2 180 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,0,0,1,0,0|1,0,0]=2 181 B8R1.2 O=C[C@@H]1CNCCN1 AM81379 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,0,0,1,0,0|1,0,0]=2 183 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,0,0,1,0,0|1,0,0]=2 184 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.2 OCC1CCCCC1 AM20070443 [0,0,0,1,0,0|0,0,2]=3 186 B8R1.2 OCC1CCNCC1 AM20100583 [0,0,0,1,0,0|1,0,2]=4 187 B8R1.2 OCC1CCOCC1 AM20080366 [0,0,0,1,0,0|1,0,2]=4 188 B8R1.2 OCC1CCSCC1 AMY3090 [0,0,0,1,0,0|1,0,2]=4 189 B8R1.2 OC[C@H]1CCC=CO1 AMY22788 [0,0,0,1,0,0|1,0,2]=4 190 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,0,0,1,0,0|1,0,2]=4 191 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,0,0,1,0,0|1,0,2]=4 192 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,0,0,1,0,0|1,0,2]=4 193 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,0,0,1,0,0|1,0,2]=4 194 B8R1.5 CC1=NCCCN1C AM20100127 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.5 CC1CCCCC1N AM804248 [0,0,0,1,0,0|1,0,1]=3 196 B8R1.5 CC1CCCNC1C AM81284 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.5 CC1CNCCC1O AM10443 [0,0,0,1,0,0|1,0,2]=4 198 B8R1.5 CC1CNCCC1O AM803717 [0,0,0,1,0,0|1,0,2]=4 199 B8R1.5 CC1COCCC1N AM91481 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.5 CC1COCCC1O AM101521 [0,0,0,1,0,0|1,0,2]=4 201 B8R1.5 CC1COCCC1S AM99651 [0,0,0,1,0,0|1,1,1]=4 202 B8R1.5 CN1CCNCC1=O AM20100457 [0,0,0,1,0,0|2,0,0]=3 203 B8R1.5 CN1CCNCC1=O AMY39473 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.5 C[C@@H]1CNCCN1C AMY32368 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.5 C[C@@H]1CNCCN1C AMY34366 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,0,0,1,0,0|0,0,0]=1 208 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,0,0,1,0,0|1,0,0]=2 209 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.5 C[C@H]1CNCCN1C AMY34386 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.5 C[C@H]1CNCCN1C AMY39146 [0,0,0,1,0,0|3,0,0]=4 212 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,0,0,1,0,0|1,0,0]=2 213 B8R1.5 NC1CCCCC1F AM806373 [0,0,0,1,0,0|2,0,1]=4 214 B8R1.5 NC1CCCCC1N AM20070551 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.5 NC1CCCCC1O AMY1039 [0,0,0,1,0,0|1,0,2]=4 216 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [0,0,0,1,0,0|1,0,2]=4 217 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [0,0,0,1,0,0|1,0,2]=4 218 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,0,0,1,0,0|1,0,0]=2 220 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070468 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070469 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [0,0,0,1,0,0|1,0,2]=4 223 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [0,0,0,1,0,0|1,0,2]=4 224 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [0,0,0,1,0,0|1,0,2]=4 225 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.5 N[C@H]1CCCC[C@H]1N AMY19985 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [0,0,0,1,0,0|1,0,2]=4 228 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.5 O=C1CCCCC1=O AM20070526 [0,0,0,1,0,0|1,0,1]=3 231 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,0,0,1,0,0|1,0,0]=2 232 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,0,0,1,0,0|1,0,0]=2 233 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,0,0,1,0,0|2,0,0]=3 234 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,0,0,1,0,0|2,0,0]=3 238 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [0,0,0,1,0,0|1,0,2]=4 239 B8R1.8 BrCC[C@H]1CCNC1 AM100071 [0,0,0,1,0,0|2,0,1]=4 240 B8R1.8 BrCC[C@H]1CCNC1 AM100210 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.8 BrCC[C@H]1CCNC1 AM99268 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.8 C#CCN1CCCC1 AMY20751 [0,0,0,1,0,0|2,0,1]=4 243 B8R1.8 CCN[C@H]1CCNC1 AM100745 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.8 CCN[C@H]1CCNC1 AM100746 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.8 CCN[C@H]1CCNC1 AM90658 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.8 CCN[C@H]1CCOC1 AM91681 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.8 CCN[C@H]1CCOC1 AMY35389 [0,0,0,1,0,0|3,0,0]=4 248 B8R1.8 CCO[C@@H]1CCNC1 AMY21337 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.8 CCO[C@H]1CCNC1 AMY21339 [0,0,0,1,0,0|3,0,0]=4 250 B8R1.8 CNC[C@H]1CCCN1 AM91671 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.8 CNC[C@H]1CCNC1 AM101567 [0,0,0,1,0,0|3,0,0]=4 252 B8R1.8 CNC[C@H]1CCOC1 AM20100680 [0,0,0,1,0,0|3,0,0]=4 253 B8R1.8 COC[C@@H]1CCNC1 AMY34408 [0,0,0,1,0,0|3,0,0]=4 254 B8R1.8 COC[C@H]1CCCN1 AM101258 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.8 COC[C@H]1CCCN1 AM20100559 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.8 COC[C@H]1CCCN1 AM81456 [0,0,0,1,0,0|2,0,1]=4 257 B8R1.8 COC[C@H]1CCCN1 AM91166 [0,0,0,1,0,0|2,0,1]=4 258 B8R1.8 COC[C@H]1CCNC1 AM100231 [0,0,0,1,0,0|3,0,0]=4 259 B8R1.8 COC[C@H]1CCNC1 AM101657 [0,0,0,1,0,0|3,0,0]=4 260 B8R1.8 ClCCN1CCCC1 AMY4094 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.8 ClCC[C@H]1CCNC1 AM100163 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.8 ClCC[C@H]1CCNC1 AM100184 [0,0,0,1,0,0|2,0,1]=4 263 B8R1.8 ClCC[C@H]1CCNC1 AM101210 [0,0,0,1,0,0|2,0,1]=4 264 B8R1.8 ICC[C@H]1CCNC1 AM100081 [0,0,0,1,0,0|2,0,1]=4 265 B8R1.8 ICC[C@H]1CCNC1 AM100238 [0,0,0,1,0,0|2,0,1]=4 266 B8R1.8 ICC[C@H]1CCNC1 AM98308 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.8 N#CCC1CCCC1 AMY2023 [0,0,0,1,0,0|1,0,1]=3 268 B8R1.8 N#CCN1CCCC1 AM806630 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.8 N#CCN1CCCC1 AMY16274 [0,0,0,1,0,0|2,0,1]=4 270 B8R1.8 NCCC1CCCC1 AM20100413 [0,0,0,1,0,0|1,0,1]=3 271 B8R1.8 NCCC1CCCC1 AMY16086 [0,0,0,1,0,0|1,0,1]=3 272 B8R1.8 NCCN1CCCC1 AMY9353 [0,0,0,1,0,0|2,0,1]=4 273 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,0,0,1,0,0|1,0,2]=4 274 B8R1.8 NCC[C@H]1CCNC1 AM100091 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.8 NCC[C@H]1CCNC1 AM100125 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.8 NCC[C@H]1CCNC1 AM100664 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.8 NCC[C@H]1CCNC1 AM10830 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.8 O=CCC1CCCC1 AMY18693 [0,0,0,1,0,0|0,0,0]=1 279 B8R1.8 OCCC1CCCC1 AMY18681 [0,0,0,1,0,0|0,0,2]=3 280 B8R1.8 OCCN1CCCC1 AM20090391 [0,0,0,1,0,0|1,0,2]=4 281 B8R1.8 OCC[C@H]1CCCN1 AMY23861 [0,0,0,1,0,0|1,0,2]=4 282 B8R1.8 OCC[C@H]1CCNC1 AM100067 [0,0,0,1,0,0|1,0,2]=4 283 B8R1.8 OCC[C@H]1CCNC1 AM100173 [0,0,0,1,0,0|1,0,2]=4 284 B8R1.8 OCC[C@H]1CCNC1 AM20120341 [0,0,0,1,0,0|1,0,2]=4 285 B8R1.8 SCCN1CCCC1 AM20100120 [0,0,0,1,0,0|1,1,1]=4 286 B8R1.8 SCC[C@H]1CCNC1 AM100134 [0,0,0,1,0,0|1,1,1]=4 287 B8R1.8 SCC[C@H]1CCNC1 AM100237 [0,0,0,1,0,0|1,1,1]=4 288 B8R1.8 SCC[C@H]1CCNC1 AM99159 [0,0,0,1,0,0|1,1,1]=4 289 B8R1.10 OCCCC1COC1 AMY19719 [0,0,0,1,0,0|1,0,2]=4 290 B8R1.10 OCCCN1CCC1 AMY37454 [0,0,0,1,0,0|1,0,2]=4 291 B8R1.11 C#CC1CCCC1O AMY20186 [0,0,0,1,0,0|2,0,1]=4 292 B8R1.11 CN1CCC[C@@H]1CBr AM101006 [0,0,0,1,0,0|2,0,1]=4 293 B8R1.11 CN1CCC[C@@H]1CBr AM101207 [0,0,0,1,0,0|2,0,1]=4 294 B8R1.11 CN1CCC[C@@H]1CCl AM100987 [0,0,0,1,0,0|2,0,1]=4 295 B8R1.11 CN1CCC[C@@H]1CCl AM97531 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.11 CN1CCC[C@@H]1CI AM100992 [0,0,0,1,0,0|2,0,1]=4 297 B8R1.11 CN1CCC[C@@H]1CI AM96163 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.11 CN1CCC[C@@H]1CN AM100590 [0,0,0,1,0,0|2,0,1]=4 299 B8R1.11 CN1CCC[C@@H]1CN AM101111 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,0,0,1,0,0|1,0,2]=4 301 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,0,0,1,0,0|1,0,2]=4 302 B8R1.11 CN1CCC[C@H]1C=O AM101350 [0,0,0,1,0,0|1,0,0]=2 303 B8R1.11 CN1CCC[C@H]1C=O AM92013 [0,0,0,1,0,0|1,0,0]=2 304 B8R1.11 N#C[C@H]1CCCC1=O AMY4320 [0,0,0,1,0,0|1,0,1]=3 305 B8R1.11 N#C[C@H]1CNCC1=O AM101437 [0,0,0,1,0,0|2,0,1]=4 306 B8R1.11 N#C[C@H]1COCC1=O AMY23756 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.11 N#C[C@H]1CSCC1=O AMY10953 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.11 O=C1CCC=C1CO AMY2077 [0,0,0,1,0,0|1,0,2]=4 309 B8R1.11 O=C1NCC[C@@H]1CO AMY34785 [0,0,0,1,0,0|2,0,0]=3 310 B8R1.22 CN1CCCNCC1 AMY31990 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.22 C[C@H]1CCCNCC1 AM803851 [0,0,0,1,0,0|2,0,1]=4 312 B8R1.22 C[C@H]1CCNCCN1 AMY38552 [0,0,0,1,0,0|2,0,1]=4 313 B8R1.22 C[C@H]1CNCCCN1 AMY15712 [0,0,0,1,0,0|2,0,1]=4 314 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,0,0,1,0,0|1,0,2]=4 315 B8R1.22 F[C@H]1CCCCNC1 AM806514 [0,0,0,1,0,0|2,0,1]=4 316 B8R1.22 F[C@H]1CCCNCC1 AM806515 [0,0,0,1,0,0|2,0,1]=4 317 B8R1.22 F[C@H]1CCCNCC1 AMY34974 [0,0,0,1,0,0|2,0,1]=4 318 B8R1.22 N[C@@H]1CCCCNC1 AMY3810 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.22 N[C@H]1CCCCNC1 AM20100642 [0,0,0,1,0,0|2,0,1]=4 320 B8R1.22 N[C@H]1CCCCNC1 AM9633 [0,0,0,1,0,0|2,0,1]=4 321 B8R1.22 O=C1CCCCCC1 AMY3995 [0,0,0,1,0,0|0,0,0]=1 322 B8R1.22 O=C1CCCCCN1 AM802872 [0,0,0,1,0,0|1,0,0]=2 323 B8R1.22 O=C1CCCNCC1 AM20100232 [0,0,0,1,0,0|1,0,0]=2 324 B8R1.22 O=C1CCNCCN1 AM20090172 [0,0,0,1,0,0|2,0,0]=3 325 B8R1.22 O=C1CCNCCN1 AM85736 [0,0,0,1,0,0|2,0,0]=3 326 B8R1.22 O=C1CNCCCN1 AM804637 [0,0,0,1,0,0|2,0,0]=3 327 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,0,0,1,0,0|1,0,2]=4 328 B8R1.36 CCCNCC1CC1 AMY2642 [0,0,0,1,0,0|2,0,1]=4 329 B8R1.49 C1=CCCC=CCC1 AMY11686 [0,0,0,1,0,0|1,0,2]=4 330 B8R1.49 C1=CCCC=CCC1 AMY11690 [0,0,0,1,0,0|1,0,2]=4 331 B8R1.49 C1=CCCC=CCC1 AMY11752 [0,0,0,1,0,0|1,0,2]=4 332 B8R1.49 C1=CCCC=CCC1 AMY19657 [0,0,0,1,0,0|1,0,2]=4 333 B8R1.49 C1=CCCC=CCC1 AMY19664 [0,0,0,1,0,0|1,0,2]=4 334 B8R1.49 C1=CCCC=CCC1 AMY19798 [0,0,0,1,0,0|1,0,2]=4 335 B8R1.49 C1=CCCC=CCC1 AMY22290 [0,0,0,1,0,0|1,0,2]=4 336 B8R1.49 C1=CCCCCC=C1 AMY19658 [0,0,0,1,0,0|1,0,2]=4 337 B8R1.49 C1=CCCCCCC1 AMY11766 [0,0,0,1,0,0|1,0,0]=2 338 B8R1.49 C1=CCCCCCC1 AMY19666 [0,0,0,1,0,0|1,0,0]=2 339 B8R1.49 C1CNCCCNC1 AMY15750 [0,0,0,1,0,0|2,0,1]=4 340 B5R0.2 BrCCCCBr AM20080049 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.2 C#CCCCC AMY1242 [2,0,0,0,0,0|0,0,2]=4 342 B5R0.2 C=CCCCBr AM20080066 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.2 C=CCCCO AMY41353 [2,0,0,0,0,0|1,0,1]=4 344 B5R0.2 CCCCCBr AMY9378 [2,0,0,0,0,0|1,0,0]=3 345 B5R0.2 CCCCCC AMY22305 [2,0,0,0,0,0|0,0,0]=2 346 B5R0.2 CCCCCN AMY21878 [2,0,0,0,0,0|1,0,0]=3 347 B5R0.2 CCCCCS AMY19243 [2,0,0,0,0,0|0,1,0]=3 348 B5R0.2 CCCCNN AMY202003284 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.2 CCCNCC AMY13343 [2,0,0,0,0,0|1,0,0]=3 350 B5R0.2 CNCCCN AM20100546 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.2 CNCCNC AM86300 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.2 COCCCBr AM20090592 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.2 COCCCCl AMY25654 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.2 COCCCN AMY21871 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.2 COCCCN AMY38449 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.2 COCCCO AM20080231 [2,0,0,0,0,0|1,0,1]=4 357 B5R0.2 COCCOC AMY25530 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.2 CSCCCCl AMY744 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.2 ClCCCCI AMY2538 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.2 N#CCCC=O AMY9205 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.2 NCCCCCl AMY15236 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.2 NCCCCN AM20090504 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.2 NCCCCO AMY17788 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.2 O=CCCC=O AMY18777 [2,0,0,0,0,0|1,0,1]=4 365 B7R0.3 CCCC[C@H](N)CO AMY7200 [1,1,0,0,0,0|0,0,1]=3 366 B7R0.3 CCCC[C@H](O)CO AMY11157 [1,1,0,0,0,0|0,0,1]=3 367 B7R0.3 CCOC[C@@H](O)CO AMY318 [1,1,0,0,0,0|1,0,1]=4 368 B7R0.3 COC(=O)CCC=O AM20080287 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.3 C[C@H](CN)CCCN AMY37195 [1,1,0,0,0,0|2,0,0]=4 370 B7R0.3 OCCC[C@H](O)CO AMY202100026 [1,1,0,0,0,0|1,0,1]=4 371 B7R0.4 C#CCCCC(=O)O AM81010 [1,1,0,0,0,0|0,0,2]=4 372 B7R0.4 C=CCCCC(=O)O AMY759 [1,1,0,0,0,0|0,0,2]=4 373 B7R0.4 CC(=O)CCCCCl AM90172 [1,1,0,0,0,0|1,0,0]=3 374 B7R0.4 CC(=O)NCCCN AMY36360 [1,1,0,0,0,0|2,0,0]=4 375 B7R0.4 CC(C)CCON=O AMY3781 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.4 CC(C)NCCCO AMY41464 [1,1,0,0,0,0|1,0,1]=4 377 B7R0.4 CCCCC[C@@H](C)O AMY25723 [1,1,0,0,0,0|0,0,1]=3 378 B7R0.4 CCCCC[C@H](C)N AMY3809 [1,1,0,0,0,0|0,0,1]=3 379 B7R0.4 CCCCOC(C)=O AMY11075 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.4 CCCOCC(=O)O AMY4018 [1,1,0,0,0,0|1,0,0]=3 381 B7R0.4 CN(C)CCCCN AMY31964 [1,1,0,0,0,0|2,0,0]=4 382 B7R0.4 CN(C)CCCCO AMY9644 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.4 CNCCCC(=O)O AMY5046 [1,1,0,0,0,0|1,0,0]=3 384 B7R0.4 CNCCOC(C)=O AMY15057 [1,1,0,0,0,0|2,0,0]=4 385 B7R0.4 C[C@H](O)CNCCO AM807035 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.4 N#CCCCC(=O)O AMY16028 [1,1,0,0,0,0|1,0,1]=4 387 B7R0.4 NC(=O)COCCCl AMY17904 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.4 NCCCCC(=O)O AM82459 [1,1,0,0,0,0|1,0,0]=3 389 B7R0.4 NCCCCC(=O)O AMY39227 [1,1,0,0,0,0|1,0,0]=3 390 B7R0.4 O=C(Cl)CCCCBr AM85775 [1,1,0,0,0,0|1,0,0]=3 391 B7R0.4 O=C(Cl)CCCCCl AMY12305 [1,1,0,0,0,0|1,0,0]=3 392 B7R0.4 O=C(O)CCCCBr AM85660 [1,1,0,0,0,0|1,0,0]=3 393 B7R0.4 O=C(O)CCCCCl AMY40897 [1,1,0,0,0,0|1,0,0]=3 394 B7R0.4 O=C(O)COCCCl AMY28725 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.7 CCCC(=O)CCC AMY3807 [1,1,0,0,0,0|0,0,2]=4 396 B7R0.7 CCCC(N)CCC AMY3864 [1,1,0,0,0,0|0,0,1]=3 397 B7R0.7 CCCC(O)CCC AMY23531 [1,1,0,0,0,0|0,0,1]=3 398 B7R0.7 CCC[C@H](N)CCO AM20100578 [1,1,0,0,0,0|0,0,1]=3 399 B7R0.7 CCOC(=O)CC=O AMY18659 [1,1,0,0,0,0|1,0,1]=4 400 B9R0.4 CCCC[C@H](O)CC(C)C AMY19262 [0,2,0,0,0,0|1,0,1]=4 401 B9R0.5 CCOC(=O)CCCC=O AM85359 [0,2,0,0,0,0|0,0,1]=3 402 B9R0.18 CCCCC(O)CCCC AMY19319 [0,2,0,0,0,0|1,0,1]=4 403 B9R0.2 CC(=O)OCCOCCO AMY28818 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.2 CC(C)CCCCCC=O AM20120578 [0,2,0,0,0,0|0,0,0]=2 405 B9R0.2 CCCCCCCC(=O)[O-] AMY19799 [0,2,0,0,0,0|0,0,0]=2 406 B9R0.2 CCCCCCOC(=O)Cl AMY4168 [0,2,0,0,0,0|0,0,0]=2 407 B9R0.2 CCCNCCCN(C)C AMY41317 [0,2,0,0,0,0|2,0,0]=4 408 B9R0.2 CC\C=C\CCOC(C)=O AM806731 [0,2,0,0,0,0|0,0,2]=4 409 B9R0.2 NCCCCCCC(=O)O AM20120334 [0,2,0,0,0,0|0,0,0]=2 410 B9R0.2 O=C(O)CCCCCCBr AMY10966 [0,2,0,0,0,0|0,0,0]=2 411 B9R0.2 O=C(O)CCCCCCO AM20090595 [0,2,0,0,0,0|0,0,0]=2 412 B9R0.2 O=C(O)CNCCCCO AM806410 [0,2,0,0,0,0|1,0,0]=3 413 B9R0.2 [N-]=[N+]=NCCCCC(=O)O AMY21580 [0,2,0,0,0,0|2,0,0]=4 414 B9R0.45 BrCCCCCCCCBr AMY11217 [0,2,0,0,0,0|1,0,1]=4 415 B9R0.45 C=CCCCCCCC=C AM84562 [0,2,0,0,0,0|1,0,0]=3 416 B9R0.45 CCCCCCCCC=O AMY15728 [0,2,0,0,0,0|0,0,0]=2 417 B9R0.45 NCCCOCCCCO AMY21928 [0,2,0,0,0,0|0,0,2]=4 418 B9R0.45 OCCCCCCCCCl AM62618 [0,2,0,0,0,0|0,0,2]=4 419 B9R0.46 CCCCCCC(=O)NO AM806754 [0,2,0,0,0,0|0,0,0]=2 420 B9R0.46 CCCCCNC(=N)NN AMY32003 [0,2,0,0,0,0|2,0,0]=4 421 B9R0.46 CCCCC\N=C(/N)NN AMY32002 [0,2,0,0,0,0|2,0,0]=4 422 B9R0.46 COC(=O)CCCCC=O AM85868 [0,2,0,0,0,0|0,0,1]=3 423 B9R0.46 COC(=O)CCCCCBr AMY17985 [0,2,0,0,0,0|1,0,0]=3 424 B9R0.46 COC(=O)CCCCCN AM20090125 [0,2,0,0,0,0|1,0,0]=3 425 B9R0.1 CC(C)=CCC[C@H](C)C=O AMY25518 [0,2,0,0,0,0|0,0,2]=4 426 B9R0.1 COC(=O)CCCC(=O)O AM84460 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.47 CCCCC[C@H](C)C(=O)O AMY25539 [0,2,0,0,0,0|0,0,0]=2 428 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100333 [0,2,0,0,0,0|1,0,0]=3 429 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100376 [0,2,0,0,0,0|1,0,0]=3 430 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100661 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100662 [0,2,0,0,0,0|1,0,0]=3 432 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100696 [0,2,0,0,0,0|1,0,0]=3 433 B9R0.47 NCCCC[C@H](N)C(=O)O AM81900 [0,2,0,0,0,0|1,0,0]=3 434 B9R0.47 NCCCC[C@H](N)C(=O)O AM81901 [0,2,0,0,0,0|1,0,0]=3 435 B9R0.47 NCCCC[C@H](N)C(=O)O AM81902 [0,2,0,0,0,0|1,0,0]=3 436 B9R0.47 NCCCC[C@H](N)C(=O)O AMY25343 [0,2,0,0,0,0|1,0,0]=3 437 B9R0.38 CCCCCCS(=O)(=O)[O-] AMY39388 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.55 CC(C)CCOCC(=O)O AMY15507 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.55 CN(C)CCCCC(=O)O AMY20362 [0,2,0,0,0,0|1,0,0]=3 440 B9R0.55 CN(C)CCCCC(=O)O AMY20363 [0,2,0,0,0,0|1,0,0]=3 441 B9R0.55 O=C([O-])CCCCC(=O)[O-] AMY38501 [0,2,0,0,0,0|1,0,1]=4 442 B7R1.1 BrCC1CCCC1 AMY6992 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.1 BrC[C@H]1CCCN1 AM100802 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.1 BrC[C@H]1CCCN1 AM102098 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.1 BrC[C@H]1CCCN1 AM93871 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [1,0,0,1,0,0|1,0,1]=4 447 B7R1.1 BrC[C@H]1CCNC1 AM91583 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.1 BrC[C@H]1CCNC1 AM94346 [1,0,0,1,0,0|2,0,0]=4 449 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.1 C=CN1CCCC1 AM85776 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [1,0,0,1,0,0|1,0,1]=4 453 B7R1.1 CC[C@H]1CCCN1 AMY37675 [1,0,0,1,0,0|1,0,0]=3 454 B7R1.1 CC[C@H]1CCNC1 AMY34423 [1,0,0,1,0,0|1,0,1]=4 455 B7R1.1 CNC1CCCC1 AMY10584 [1,0,0,1,0,0|1,0,1]=4 456 B7R1.1 ClC[C@H]1CCCN1 AM100703 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.1 ClC[C@H]1CCCN1 AM100886 [1,0,0,1,0,0|2,0,0]=4 458 B7R1.1 ClC[C@H]1CCCN1 AM100930 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.1 ClC[C@H]1CCNC1 AM101443 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.1 ClC[C@H]1CCNC1 AM91070 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.1 FC[C@H]1CCCN1 AM20110257 [1,0,0,1,0,0|2,0,0]=4 462 B7R1.1 IC[C@H]1CCCN1 AM100991 [1,0,0,1,0,0|2,0,0]=4 463 B7R1.1 IC[C@H]1CCCN1 AM92918 [1,0,0,1,0,0|2,0,0]=4 464 B7R1.1 IC[C@H]1CCCN1 AM96723 [1,0,0,1,0,0|2,0,0]=4 465 B7R1.1 IC[C@H]1CCNC1 AM91584 [1,0,0,1,0,0|2,0,0]=4 466 B7R1.1 IC[C@H]1CCNC1 AM94098 [1,0,0,1,0,0|2,0,0]=4 467 B7R1.1 IC[C@H]1CCOC1 AMY33647 [1,0,0,1,0,0|2,0,0]=4 468 B7R1.1 NCC1CCCC1 AM20100430 [1,0,0,1,0,0|1,0,0]=3 469 B7R1.1 NCC1CCCC1 AM804123 [1,0,0,1,0,0|1,0,0]=3 470 B7R1.1 NC[C@H]1CCCN1 AM20100417 [1,0,0,1,0,0|2,0,0]=4 471 B7R1.1 NC[C@H]1CCCN1 AMY5139 [1,0,0,1,0,0|2,0,0]=4 472 B7R1.1 NC[C@H]1CCCO1 AM81808 [1,0,0,1,0,0|1,0,1]=4 473 B7R1.1 NC[C@H]1CCCO1 AM81809 [1,0,0,1,0,0|1,0,1]=4 474 B7R1.1 NC[C@H]1CCOC1 AM20070698 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.1 NC[C@H]1CCOC1 AM20070699 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.1 NC[C@H]1CCOC1 AM20080467 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.1 NC[C@H]1CCOC1 AM20090079 [1,0,0,1,0,0|2,0,0]=4 478 B7R1.1 NNC1CCCC1 AM803574 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.1 NOC1CCCC1 AMY27645 [1,0,0,1,0,0|2,0,0]=4 480 B7R1.1 O=CC1=CCCC1 AMY30885 [1,0,0,1,0,0|0,0,2]=4 481 B7R1.1 O=CC1CCCC1 AM83284 [1,0,0,1,0,0|0,0,0]=2 482 B7R1.1 O=CN1CCCC1 AMY24174 [1,0,0,1,0,0|1,0,0]=3 483 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [1,0,0,1,0,0|1,0,0]=3 484 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [1,0,0,1,0,0|1,0,0]=3 485 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [1,0,0,1,0,0|1,0,0]=3 486 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [1,0,0,1,0,0|1,0,0]=3 487 B7R1.1 O=C[C@H]1CCNC1 AM101346 [1,0,0,1,0,0|1,0,0]=3 488 B7R1.1 O=C[C@H]1CCNC1 AM94342 [1,0,0,1,0,0|1,0,0]=3 489 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [1,0,0,1,0,0|1,0,0]=3 490 B7R1.1 OCC1CCCC1 AM20090579 [1,0,0,1,0,0|0,0,1]=3 491 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [1,0,0,1,0,0|1,0,1]=4 492 B7R1.1 OC[C@H]1CCCN1 AM20100639 [1,0,0,1,0,0|1,0,1]=4 493 B7R1.1 OC[C@H]1CCCN1 AM803960 [1,0,0,1,0,0|1,0,1]=4 494 B7R1.1 OC[C@H]1CCCN1 AM82208 [1,0,0,1,0,0|1,0,1]=4 495 B7R1.1 OC[C@H]1CCCO1 AM81815 [1,0,0,1,0,0|1,0,1]=4 496 B7R1.1 OC[C@H]1CCCO1 AMY19266 [1,0,0,1,0,0|1,0,1]=4 497 B7R1.1 OC[C@H]1CCNC1 AM20080050 [1,0,0,1,0,0|1,0,1]=4 498 B7R1.1 OC[C@H]1CCNC1 AM20100247 [1,0,0,1,0,0|1,0,1]=4 499 B7R1.1 OC[C@H]1CCNC1 AMY20013 [1,0,0,1,0,0|1,0,1]=4 500 B7R1.1 OC[C@H]1CCOC1 AM20080182 [1,0,0,1,0,0|1,0,1]=4 501 B7R1.1 OC[C@H]1CCOC1 AM20080421 [1,0,0,1,0,0|1,0,1]=4 502 B7R1.1 OC[C@H]1CCOC1 AMY23730 [1,0,0,1,0,0|1,0,1]=4 503 B7R1.1 SC[C@H]1CCNC1 AM98788 [1,0,0,1,0,0|1,1,0]=4 504 B7R1.3 BrC1=CCCCC1 AMY38285 [1,0,0,1,0,0|1,0,1]=4 505 B7R1.3 BrC1CCNCC1 AM101554 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.3 BrC1CCNCC1 AM20100339 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.3 BrC1CCNCC1 AM90402 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.3 BrC1CCOCC1 AM90079 [1,0,0,1,0,0|2,0,0]=4 509 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [1,0,0,1,0,0|1,0,1]=4 510 B7R1.3 Br[C@H]1CCCNC1 AM100929 [1,0,0,1,0,0|2,0,0]=4 511 B7R1.3 Br[C@H]1CCCNC1 AM90468 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.3 C=C1CCCCC1 AMY736 [1,0,0,1,0,0|0,0,1]=3 514 B7R1.3 C=C1CCCOC1 AMY6008 [1,0,0,1,0,0|1,0,1]=4 515 B7R1.3 C=C1CCNCC1 AMY5962 [1,0,0,1,0,0|1,0,1]=4 516 B7R1.3 C=C1CCNCC1 AMY6101 [1,0,0,1,0,0|1,0,1]=4 517 B7R1.3 C=C1CCNCC1 AMY6167 [1,0,0,1,0,0|1,0,1]=4 518 B7R1.3 C=C1CCOCC1 AMY34984 [1,0,0,1,0,0|1,0,1]=4 519 B7R1.3 CC1=CCNCC1 AMY33784 [1,0,0,1,0,0|1,0,1]=4 520 B7R1.3 CC1=CCOCC1 AMY5953 [1,0,0,1,0,0|1,0,1]=4 521 B7R1.3 CC1=COCCC1 AMY6007 [1,0,0,1,0,0|1,0,1]=4 522 B7R1.3 CC1CCNCC1 AMY23280 [1,0,0,1,0,0|1,0,1]=4 523 B7R1.3 CC1CCOCC1 AMY6168 [1,0,0,1,0,0|1,0,1]=4 524 B7R1.3 CC1SCCCS1 AMY24701 [1,0,0,1,0,0|1,1,0]=4 525 B7R1.3 CN1CCCCC1 AM20100531 [1,0,0,1,0,0|1,0,1]=4 526 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [1,0,0,1,0,0|1,0,1]=4 527 B7R1.3 C[C@@H]1COCCN1 AMY21764 [1,0,0,1,0,0|2,0,0]=4 528 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [1,0,0,1,0,0|1,0,1]=4 529 B7R1.3 C[C@H]1CCCCN1 AM20080042 [1,0,0,1,0,0|1,0,0]=3 530 B7R1.3 C[C@H]1CCCCN1 AM81342 [1,0,0,1,0,0|1,0,0]=3 531 B7R1.3 C[C@H]1CCCNC1 AM86032 [1,0,0,1,0,0|1,0,1]=4 532 B7R1.3 C[C@H]1CCCNC1 AM86033 [1,0,0,1,0,0|1,0,1]=4 533 B7R1.3 C[C@H]1CCCNC1 AMY5569 [1,0,0,1,0,0|1,0,1]=4 534 B7R1.3 C[C@H]1CNCCN1 AM20080043 [1,0,0,1,0,0|2,0,0]=4 535 B7R1.3 C[C@H]1CNCCN1 AM81347 [1,0,0,1,0,0|2,0,0]=4 536 B7R1.3 C[C@H]1CNCCN1 AM81348 [1,0,0,1,0,0|2,0,0]=4 537 B7R1.3 C[C@H]1CNCCO1 AM20090347 [1,0,0,1,0,0|1,0,1]=4 538 B7R1.3 C[C@H]1CNCCO1 AM85055 [1,0,0,1,0,0|1,0,1]=4 539 B7R1.3 C[C@H]1CNCCO1 AMY21629 [1,0,0,1,0,0|1,0,1]=4 540 B7R1.3 C[C@H]1CNCCO1 AMY9349 [1,0,0,1,0,0|1,0,1]=4 541 B7R1.3 C[C@H]1COCCN1 AM20100118 [1,0,0,1,0,0|2,0,0]=4 542 B7R1.3 C[C@H]1COCCN1 AM803755 [1,0,0,1,0,0|2,0,0]=4 543 B7R1.3 C[C@H]1COCCN1 AM804311 [1,0,0,1,0,0|2,0,0]=4 544 B7R1.3 C[C@H]1COCCN1 AM806455 [1,0,0,1,0,0|2,0,0]=4 545 B7R1.3 C[C@H]1COCCN1 AMY22799 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.3 ClC1=CCCCC1 AM85974 [1,0,0,1,0,0|1,0,1]=4 547 B7R1.3 ClC1CCCCC1 AM90219 [1,0,0,1,0,0|1,0,0]=3 548 B7R1.3 ClC1CCNCC1 AM100920 [1,0,0,1,0,0|2,0,0]=4 549 B7R1.3 ClC1CCNCC1 AM20100323 [1,0,0,1,0,0|2,0,0]=4 550 B7R1.3 ClC1CCOCC1 AM794 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [1,0,0,1,0,0|2,0,0]=4 553 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.3 FC1CCNCC1 AM20100405 [1,0,0,1,0,0|2,0,0]=4 556 B7R1.3 FC1CCOCC1 AM100580 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.3 F[C@H]1CCCNC1 AM20080116 [1,0,0,1,0,0|2,0,0]=4 558 B7R1.3 IC1CCNCC1 AM101380 [1,0,0,1,0,0|2,0,0]=4 559 B7R1.3 IC1CCNCC1 AM94352 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.3 IC1CCOCC1 AM20090312 [1,0,0,1,0,0|2,0,0]=4 561 B7R1.3 NC1CCCCC1 AM802905 [1,0,0,1,0,0|1,0,0]=3 562 B7R1.3 NC1CCNCC1 AM85323 [1,0,0,1,0,0|2,0,0]=4 563 B7R1.3 NC1CCNCC1 AM85335 [1,0,0,1,0,0|2,0,0]=4 564 B7R1.3 NC1CCOCC1 AM20090495 [1,0,0,1,0,0|2,0,0]=4 565 B7R1.3 NC1CCOCC1 AM20100013 [1,0,0,1,0,0|2,0,0]=4 566 B7R1.3 NC1CCOCC1 AM669 [1,0,0,1,0,0|2,0,0]=4 567 B7R1.3 NC1CCSCC1 AMY32230 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.3 NC1CCSCC1 AMY3238 [1,0,0,1,0,0|2,0,0]=4 569 B7R1.3 NN1CCCCC1 AM85332 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.3 NN1CCCCC1 AM85348 [1,0,0,1,0,0|2,0,0]=4 571 B7R1.3 N[C@@H]1CCCNC1 AMY258 [1,0,0,1,0,0|2,0,0]=4 572 B7R1.3 N[C@H]1CCCNC1 AM20090507 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.3 N[C@H]1CCCNC1 AM20090508 [1,0,0,1,0,0|2,0,0]=4 574 B7R1.3 N[C@H]1CCCNC1 AM81346 [1,0,0,1,0,0|2,0,0]=4 575 B7R1.3 N[C@H]1CCCNC1 AMY19293 [1,0,0,1,0,0|2,0,0]=4 576 B7R1.3 N[C@H]1CCCOC1 AM20080156 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.3 N[C@H]1CCCOC1 AM20120527 [1,0,0,1,0,0|2,0,0]=4 578 B7R1.3 N[C@H]1CCCOC1 AMY34426 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.3 N[C@H]1CCCOC1 AMY41756 [1,0,0,1,0,0|2,0,0]=4 580 B7R1.3 N[C@H]1CCCOC1 AMY5963 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.3 O=C1CCCCN1 AM20100626 [1,0,0,1,0,0|1,0,0]=3 582 B7R1.3 O=C1CCCNC1 AM20100504 [1,0,0,1,0,0|1,0,0]=3 583 B7R1.3 O=C1CCCNC1 AM81341 [1,0,0,1,0,0|1,0,0]=3 584 B7R1.3 O=C1CCCOC1 AM20090251 [1,0,0,1,0,0|1,0,0]=3 585 B7R1.3 O=C1CCCSC1 AM20090115 [1,0,0,1,0,0|1,0,0]=3 586 B7R1.3 O=C1CCNCC1 AM100807 [1,0,0,1,0,0|1,0,0]=3 587 B7R1.3 O=C1CCNCC1 AM20100060 [1,0,0,1,0,0|1,0,0]=3 588 B7R1.3 O=C1CCNCC1 AM803879 [1,0,0,1,0,0|1,0,0]=3 589 B7R1.3 O=C1CCOCC1 AM20090400 [1,0,0,1,0,0|1,0,0]=3 590 B7R1.3 O=C1CCSCC1 AM20080026 [1,0,0,1,0,0|1,0,0]=3 591 B7R1.3 O=C1CNCCN1 AM20100386 [1,0,0,1,0,0|2,0,0]=4 592 B7R1.3 O=C1CNCCO1 AM62713 [1,0,0,1,0,0|2,0,0]=4 593 B7R1.3 O=C1COCCN1 AM20080044 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.3 O=C1CSCCN1 AMY10805 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.3 O=C1NCCCN1 AM90187 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.3 O=C1NCCCO1 AMY19041 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.3 O=S1CCOCC1 AMY42358 [1,0,0,1,0,0|2,0,0]=4 598 B7R1.3 OC1CCNCC1 AM20100322 [1,0,0,1,0,0|1,0,1]=4 599 B7R1.3 OC1CCNCC1 AMY24233 [1,0,0,1,0,0|1,0,1]=4 600 B7R1.3 OC1CCOCC1 AM20090170 [1,0,0,1,0,0|1,0,1]=4 601 B7R1.3 OC1CCSCC1 AMY37357 [1,0,0,1,0,0|1,0,1]=4 602 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [1,0,0,1,0,0|1,0,1]=4 603 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [1,0,0,1,0,0|1,0,1]=4 604 B7R1.3 O[C@H]1CCCNC1 AM101043 [1,0,0,1,0,0|1,0,1]=4 605 B7R1.3 O[C@H]1CCCNC1 AM20090141 [1,0,0,1,0,0|1,0,1]=4 606 B7R1.3 O[C@H]1CCCNC1 AM20100189 [1,0,0,1,0,0|1,0,1]=4 607 B7R1.3 O[C@H]1CCCNC1 AM20100577 [1,0,0,1,0,0|1,0,1]=4 608 B7R1.3 O[C@H]1CCCNC1 AM20100636 [1,0,0,1,0,0|1,0,1]=4 609 B7R1.3 O[C@H]1CCCOC1 AM20090136 [1,0,0,1,0,0|1,0,1]=4 610 B7R1.3 SC1CCCCC1 AMY11243 [1,0,0,1,0,0|0,1,0]=3 611 B7R1.3 SC1CCOCC1 AM100476 [1,0,0,1,0,0|1,1,0]=4 612 B7R1.3 S[C@H]1CCCNC1 AMY35402 [1,0,0,1,0,0|1,1,0]=4 613 B7R1.4 CC1CNCC1O AM806548 [1,0,0,1,0,0|1,0,1]=4 614 B7R1.4 CN1CCCC1=O AM20110252 [1,0,0,1,0,0|1,0,0]=3 615 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [1,0,0,1,0,0|1,0,0]=3 616 B7R1.4 C[C@H]1CCCC1=O AM84338 [1,0,0,1,0,0|0,0,0]=2 617 B7R1.4 C[C@H]1CCOC1=O AM20090007 [1,0,0,1,0,0|1,0,0]=3 618 B7R1.4 NC1CCCC1N AMY40491 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.4 NC1CCCC1O AMY1026 [1,0,0,1,0,0|1,0,1]=4 620 B7R1.4 NN1CCCC1=O AM84704 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [1,0,0,1,0,0|1,0,1]=4 622 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [1,0,0,1,0,0|1,0,1]=4 623 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [1,0,0,1,0,0|1,0,1]=4 625 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [1,0,0,1,0,0|1,0,1]=4 627 B7R1.4 N[C@H]1CCNC1=O AM20130022 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.4 N[C@H]1CCNC1=O AMY15667 [1,0,0,1,0,0|2,0,0]=4 629 B7R1.4 N[C@H]1CCOC1=O AM20090203 [1,0,0,1,0,0|2,0,0]=4 630 B7R1.4 N[C@H]1CCOC1=O AMY21622 [1,0,0,1,0,0|2,0,0]=4 631 B7R1.4 N[C@H]1CCSC1=O AMY25724 [1,0,0,1,0,0|2,0,0]=4 632 B7R1.4 O=C1CCCC1=O AMY23435 [1,0,0,1,0,0|1,0,1]=4 633 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [1,0,0,1,0,0|1,0,0]=3 634 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [1,0,0,1,0,0|2,0,0]=4 635 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [1,0,0,1,0,0|2,0,0]=4 636 B7R1.4 O=C1NCC[C@H]1O AMY14450 [1,0,0,1,0,0|2,0,0]=4 637 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [1,0,0,1,0,0|2,0,0]=4 638 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [1,0,0,1,0,0|1,0,1]=4 639 B7R1.6 NCCC1CCC1 AMY34747 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.6 NCCC1COC1 AMY19670 [1,0,0,1,0,0|2,0,0]=4 641 B7R1.6 NCCN1CCC1 AMY34670 [1,0,0,1,0,0|2,0,0]=4 642 B7R1.6 OCCC1CCC1 AM807009 [1,0,0,1,0,0|0,0,1]=3 643 B7R1.6 OCCC1COC1 AMY19718 [1,0,0,1,0,0|1,0,1]=4 644 B7R1.6 OCCN1CCC1 AM806453 [1,0,0,1,0,0|1,0,1]=4 645 B7R1.6 OCCN1CCC1 AMY37413 [1,0,0,1,0,0|1,0,1]=4 646 B7R1.7 CCOC[C@H]1CO1 AM20100065 [1,0,0,1,0,0|1,0,1]=4 647 B7R1.8 NCC1CCC1F AMY35801 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [1,0,0,1,0,0|1,0,1]=4 649 B7R1.24 C1CNCCNC1 AM100887 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.24 C1CNCCOC1 AM20090058 [1,0,0,1,0,0|1,0,1]=4 651 B9R1.2 CC1CCCC(CN)C1 AM806484 [0,1,0,1,0,0|1,0,1]=4 652 B9R1.2 CN1CCC[C@H](C=O)C1 AM101782 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.2 COC1CCCC(O)C1 AMY34868 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.2 NCC1CCCC(O)C1 AM20070448 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.2 NC[C@H]1CCNC(=O)C1 AM803060 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.2 O=C1CCC[C@@H](CO)N1 AMY16344 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16343 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16345 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.2 O=C1COC[C@H](CO)N1 AMY21702 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.7 CCC[C@H]1COC(=O)C1 AMY16477 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.8 BrCCC1CCNCC1 AM90686 [0,1,0,1,0,0|1,0,1]=4 663 B9R1.8 BrCCC1CCOCC1 AM100848 [0,1,0,1,0,0|1,0,1]=4 664 B9R1.8 BrCC[C@H]1CCCNC1 AM100581 [0,1,0,1,0,0|1,0,1]=4 665 B9R1.8 C#CCN1CCCCC1 AMY23781 [0,1,0,1,0,0|1,0,1]=4 666 B9R1.8 CCNC1CCCCC1 AM20070548 [0,1,0,1,0,0|1,0,1]=4 667 B9R1.8 CCN[C@H]1CCCNC1 AM91373 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.8 CNCC1CCCCC1 AM803595 [0,1,0,1,0,0|1,0,1]=4 669 B9R1.8 CNCC1CCNCC1 AM91484 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.8 CNCC1CCOCC1 AM20100143 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.8 CNCC1CCOCC1 AM806274 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.8 CNC[C@H]1CCCCN1 AM100614 [0,1,0,1,0,0|1,0,1]=4 673 B9R1.8 CNC[C@H]1CCCNC1 AM90573 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.8 COCC1CCNCC1 AM100768 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.8 COCC1CCNCC1 AM20120325 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.8 COC[C@@H]1CCCCN1 AM807049 [0,1,0,1,0,0|1,0,1]=4 677 B9R1.8 COC[C@H]1CCCCN1 AM806273 [0,1,0,1,0,0|1,0,1]=4 678 B9R1.8 COC[C@H]1CCCCN1 AM90528 [0,1,0,1,0,0|1,0,1]=4 679 B9R1.8 COC[C@H]1CCCNC1 AM101145 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.8 COC[C@H]1CCCNC1 AM90790 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.8 ClCCC1CCNCC1 AM90696 [0,1,0,1,0,0|1,0,1]=4 682 B9R1.8 ClCCC1CCOCC1 AM100847 [0,1,0,1,0,0|1,0,1]=4 683 B9R1.8 ClCCN1CCCCC1 AM20090146 [0,1,0,1,0,0|1,0,1]=4 684 B9R1.8 ClCC[C@H]1CCCNC1 AM99496 [0,1,0,1,0,0|1,0,1]=4 685 B9R1.8 ICCC1CCNCC1 AM100793 [0,1,0,1,0,0|1,0,1]=4 686 B9R1.8 ICCC1CCOCC1 AM100845 [0,1,0,1,0,0|1,0,1]=4 687 B9R1.8 ICC[C@H]1CCCNC1 AM97540 [0,1,0,1,0,0|1,0,1]=4 688 B9R1.8 N#CCC1CCNCC1 AMY5584 [0,1,0,1,0,0|1,0,1]=4 689 B9R1.8 N#CCC1CCOCC1 AMY11537 [0,1,0,1,0,0|1,0,1]=4 690 B9R1.8 NCCC1CCCCC1 AMY38665 [0,1,0,1,0,0|1,0,1]=4 691 B9R1.8 NCCC1CCNCC1 AM101244 [0,1,0,1,0,0|1,0,1]=4 692 B9R1.8 NCCC1CCNCC1 AMY15188 [0,1,0,1,0,0|1,0,1]=4 693 B9R1.8 NCCC1CCOCC1 AM20100593 [0,1,0,1,0,0|1,0,1]=4 694 B9R1.8 NCCC1CCOCC1 AM803825 [0,1,0,1,0,0|1,0,1]=4 695 B9R1.8 NCCN1CCCCC1 AMY5277 [0,1,0,1,0,0|1,0,1]=4 696 B9R1.8 NCC[C@H]1CCCCN1 AMY21355 [0,1,0,1,0,0|1,0,1]=4 697 B9R1.8 NCC[C@H]1CCCNC1 AM101532 [0,1,0,1,0,0|1,0,1]=4 698 B9R1.8 NNCC1CCCCC1 AMY202003293 [0,1,0,1,0,0|1,0,1]=4 699 B9R1.8 NNCC1CCOCC1 AMY22714 [0,1,0,1,0,0|2,0,0]=4 700 B9R1.8 O=C=NC1CCCCC1 AMY37189 [0,1,0,1,0,0|0,0,1]=3 701 B9R1.8 O=CCC1CCCCC1 AMY24044 [0,1,0,1,0,0|0,0,0]=2 702 B9R1.8 O=CCC1CCOCC1 AM101094 [0,1,0,1,0,0|0,0,0]=2 703 B9R1.8 O=CCN1CCOCC1 AMY38330 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.8 OCCC1CCOCC1 AM100846 [0,1,0,1,0,0|0,0,2]=4 705 B9R1.8 OCCN1CCCCC1 AMY9422 [0,1,0,1,0,0|0,0,2]=4 706 B9R1.8 OCC[C@@H]1C=CCCC1 AM86042 [0,1,0,1,0,0|1,0,0]=3 707 B9R1.8 OCC[C@@H]1CCCCN1 AMY21751 [0,1,0,1,0,0|0,0,2]=4 708 B9R1.8 OCC[C@H]1CCCCN1 AM20080368 [0,1,0,1,0,0|0,0,2]=4 709 B9R1.8 OCC[C@H]1CCCCN1 AM20100783 [0,1,0,1,0,0|0,0,2]=4 710 B9R1.8 OCC[C@H]1CCCCN1 AMY21750 [0,1,0,1,0,0|0,0,2]=4 711 B9R1.8 OCC[C@H]1CCCNC1 AM101208 [0,1,0,1,0,0|0,0,2]=4 712 B9R1.8 OCC[C@H]1CCCNC1 AM81154 [0,1,0,1,0,0|0,0,2]=4 713 B9R1.8 OCC[C@H]1CCCOC1 AMY38303 [0,1,0,1,0,0|0,0,2]=4 714 B9R1.8 SCCC1CCNCC1 AM101536 [0,1,0,1,0,0|0,1,1]=4 715 B9R1.8 SCCC1CCOCC1 AM98456 [0,1,0,1,0,0|0,1,1]=4 716 B9R1.8 SCC[C@H]1CCCNC1 AM98083 [0,1,0,1,0,0|0,1,1]=4 717 B9R1.12 CCCCC1=CCC=C1 AMY2875 [0,1,0,1,0,0|1,0,1]=4 718 B9R1.12 CCNC[C@H]1CCCN1 AM91659 [0,1,0,1,0,0|1,0,1]=4 719 B9R1.12 CCNC[C@H]1CCNC1 AM101568 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.12 CNCC[C@H]1CCNC1 AM100185 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.12 CNCC[C@H]1CCNC1 AM100204 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.12 CNCC[C@H]1CCNC1 AM99270 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.12 ClCCCN1CCCC1 AM804073 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.12 N#C\C=C\C1CCCC1 AMY1240 [0,1,0,1,0,0|1,0,1]=4 725 B9R1.12 NCCCN1CCCC1 AM20090247 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.12 NCCOC1CCCC1 AMY20123 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.12 NCCOC1CCCC1 AMY20124 [0,1,0,1,0,0|1,0,1]=4 728 B9R1.12 NOCCN1CCCC1 AMY27641 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.12 OCCCN1CCCC1 AMY38662 [0,1,0,1,0,0|0,0,2]=4 730 B9R1.15 CCC1CCCCC1O AM20070485 [0,1,0,1,0,0|0,0,2]=4 731 B9R1.15 CN1CCCC[C@@H]1CN AMY21400 [0,1,0,1,0,0|1,0,1]=4 732 B9R1.15 CN1CCCC[C@@H]1CO AM20090174 [0,1,0,1,0,0|0,0,2]=4 733 B9R1.15 CN1CCCC[C@H]1C=O AM100803 [0,1,0,1,0,0|0,0,0]=2 734 B9R1.15 CNC1CCOCC1C AM99294 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY928 [0,1,0,1,0,0|0,0,2]=4 736 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY929 [0,1,0,1,0,0|0,0,2]=4 737 B9R1.15 CO[C@H]1CCCNC1=O AM20090301 [0,1,0,1,0,0|1,0,0]=3 738 B9R1.15 CO[C@H]1COCCC1=O AMY33743 [0,1,0,1,0,0|1,0,0]=3 739 B9R1.15 N#C[C@H]1CNCCC1=O AMY33722 [0,1,0,1,0,0|1,0,1]=4 740 B9R1.15 O=CC1=C(Cl)CCCC1 AM807088 [0,1,0,1,0,0|0,0,2]=4 741 B9R1.15 O=C[C@@H]1CCCCC1=O AM9963 [0,1,0,1,0,0|0,0,1]=3 742 B9R1.22 CCN1C[C@@H](N)CC1=O AMY19565 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.33 CN1CCC[C@@H]1CCN AMY822 [0,1,0,1,0,0|1,0,1]=4 744 B9R1.33 CN1CCC[C@H]1CCN AMY19244 [0,1,0,1,0,0|1,0,1]=4 745 B9R1.33 CNC[C@H]1CCCN1C AM100383 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.33 CNC[C@H]1CCCN1C AM100550 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.33 COC[C@H]1CCCN1N AM101197 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.33 COC[C@H]1CCCN1N AM9645 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.33 NCCN1CCCC1=O AMY19233 [0,1,0,1,0,0|1,0,0]=3 750 B9R1.33 NCCN1CCNC1=O AMY26981 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.33 O=C1CCCN1CCBr AM20210013 [0,1,0,1,0,0|1,0,0]=3 752 B9R1.33 O=C1NCCN1CCBr AM806082 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.33 O=C1NCCN1CCCl AMY784 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.33 O=C1NCCN1CCO AMY802 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.33 O=C1OCCN1CCBr AM85060 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.48 O=C1CCCCC(=O)C1 AM85496 [0,1,0,1,0,0|0,0,1]=3 757 B9R1.48 O=C1CCCCC(=O)O1 AMY41401 [0,1,0,1,0,0|1,0,1]=4 758 B9R1.49 CN1CCCC(=O)CC1 AM20090140 [0,1,0,1,0,0|1,0,0]=3 759 B9R1.49 CN1CCC[C@H](N)CC1 AM20120348 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.49 CN1CCNC(=O)CC1 AM20120571 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.50 NC1CCCCCCC1 AMY14314 [0,1,0,1,0,0|1,0,1]=4 762 B9R1.50 O=C1CCCCCCC1 AMY3996 [0,1,0,1,0,0|0,0,0]=2 763 B9R1.50 O=C1CCCCCCN1 AM20100621 [0,1,0,1,0,0|0,0,0]=2 764 B9R1.50 OC1CCCCCCC1 AMY39481 [0,1,0,1,0,0|0,0,2]=4 765 B9R1.69 CN1CCC(=O)CC1=O AMY20080 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.69 C[C@H]1CN(C)CCC1=O AM20120623 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.134 COCC1(N)CCCC1 AMY38197 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.5 CN1CCCNCC1=O AM20100475 [0,1,0,1,0,0|1,0,0]=3 769 B9R1.5 CN1CCCNCC1=O AMY15722 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.5 N[C@@H]1CCCCNC1=O AMY3925 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.5 N[C@H]1CCCCNC1=O AM20090060 [0,1,0,1,0,0|1,0,0]=3 772 B9R1.5 N[C@H]1CCCCNC1=O AM803517 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.17 OCCCCC1COC1 AMY32111 [0,1,0,1,0,0|0,0,2]=4 774 B9R1.89 N#C[C@H]1CCCNCC1 AMY35147 [0,1,0,1,0,0|1,0,1]=4 775 B9R1.89 NNC1CCCCCC1 AM9802 [0,1,0,1,0,0|1,0,1]=4 776 B9R1.89 O=CC1CCCCCC1 AMY21681 [0,1,0,1,0,0|0,0,0]=2 777 B9R1.89 OC[C@H]1CCCCNC1 AMY11832 [0,1,0,1,0,0|0,0,2]=4 778 B9R1.1 CC1CCC(CBr)CC1 AM806102 [0,1,0,1,0,0|1,0,1]=4 779 B9R1.1 CC1CCC(CN)CC1 AM803728 [0,1,0,1,0,0|1,0,1]=4 780 B9R1.1 CC1CCC(CO)CC1 AM9715 [0,1,0,1,0,0|0,0,2]=4 781 B9R1.1 CN1CCC(C=O)CC1 AM20100244 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.1 CN1CCN(C=O)CC1 AM87173 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.1 CNC1CCC(O)CC1 AMY18670 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 AMY34073 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.1 CN[C@H]1CC[C@H](O)CC1 AMY34313 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.1 COC1CCC(N)CC1 AMY32258 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.1 COC1CCC(N)CC1 AMY32279 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.1 CO[C@H]1CC[C@H](N)CC1 AMY21463 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.1 CO[C@H]1CC[C@H](N)CC1 AMY3261 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.1 N#CC1CCC(O)CC1 AM20070474 [0,1,0,1,0,0|1,0,1]=4 791 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 AMY35195 [0,1,0,1,0,0|1,0,1]=4 792 B9R1.1 NC[C@H]1CC[C@H](O)CC1 AMY34305 [0,1,0,1,0,0|1,0,1]=4 793 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AM84270 [0,1,0,1,0,0|0,0,2]=4 794 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AMY34311 [0,1,0,1,0,0|0,0,2]=4 795 B9R1.1 O=CC1CCC(=O)CC1 AMY10974 [0,1,0,1,0,0|0,0,1]=3 796 B9R1.1 OCC1CCC(O)CC1 AMY36580 [0,1,0,1,0,0|0,0,2]=4 797 B9R1.1 OC[C@H]1CC[C@H](O)CC1 AM9734 [0,1,0,1,0,0|0,0,2]=4 798 B9R1.3 CC1C(=O)CCCC1=O AMY18839 [0,1,0,1,0,0|0,0,1]=3 799 B9R1.3 CC1COCC(C)C1=O AM101044 [0,1,0,1,0,0|1,0,0]=3 800 B9R1.3 CC1OCCC(=O)C1C AMY6076 [0,1,0,1,0,0|1,0,0]=3 801 B9R1.3 CN1C(=O)CCCC1=O AMY15075 [0,1,0,1,0,0|1,0,1]=4 802 B9R1.3 CN1CCCN(C)C1=O AMY12538 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.3 O=C1CCCC(=O)C1Br AM804114 [0,1,0,1,0,0|1,0,1]=4 804 B9R1.118 C#CC1(O)CCCCC1 AMY37050 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.118 CC1(C=O)CCCCC1 AM20070501 [0,1,0,1,0,0|0,0,0]=2 806 B9R1.118 CC1(CN)CCCCC1 AM803830 [0,1,0,1,0,0|1,0,1]=4 807 B9R1.118 NCC1(F)CCCCC1 AM806258 [0,1,0,1,0,0|1,0,1]=4 808 B9R1.6 CC(=O)C1CCCCC1 AM20070516 [0,1,0,1,0,0|0,0,0]=2 809 B9R1.6 CC(=O)C1CCNCC1 AM20090433 [0,1,0,1,0,0|1,0,0]=3 810 B9R1.6 CC(=O)C1CCNCC1 AMY40616 [0,1,0,1,0,0|1,0,0]=3 811 B9R1.6 CC(=O)C1CCOCC1 AM803183 [0,1,0,1,0,0|1,0,0]=3 812 B9R1.6 CC(=O)N1CCNCC1 AM20080291 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.6 CC(=O)N1CCOCC1 AMY10034 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.6 CC(=O)[C@@H]1CCCCN1 AM20120390 [0,1,0,1,0,0|1,0,0]=3 815 B9R1.6 CC(=O)[C@H]1CCCNC1 AM20100792 [0,1,0,1,0,0|1,0,0]=3 816 B9R1.6 C[C@H](N)C1CCCCC1 AM804025 [0,1,0,1,0,0|1,0,1]=4 817 B9R1.6 C[C@H](N)C1CCCCC1 AM81440 [0,1,0,1,0,0|1,0,1]=4 818 B9R1.6 C[C@H](N)C1CCCCC1 AM81441 [0,1,0,1,0,0|1,0,1]=4 819 B9R1.6 NC(=O)C1CCNCC1 AM20100043 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.6 NC(=O)C1CCOCC1 AM20090538 [0,1,0,1,0,0|1,0,0]=3 821 B9R1.6 NC(=O)[C@@H]1CCCCN1 AMY5796 [0,1,0,1,0,0|1,0,0]=3 822 B9R1.6 NC(=O)[C@@H]1CNCCN1 AM81380 [0,1,0,1,0,0|2,0,0]=4 823 B9R1.6 NC(=O)[C@H]1CCCNC1 AM20100097 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.6 O=C(Cl)C1CCOCC1 AM20100067 [0,1,0,1,0,0|1,0,0]=3 825 B9R1.6 O=C(Cl)N1CCOCC1 AMY9689 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.6 O=C(O)C1=CCCCC1 AMY12562 [0,1,0,1,0,0|0,0,2]=4 827 B9R1.6 O=C(O)C1CCCCC1 AM20070525 [0,1,0,1,0,0|0,0,0]=2 828 B9R1.6 O=C(O)C1CCNCC1 AM20100215 [0,1,0,1,0,0|1,0,0]=3 829 B9R1.6 O=C(O)C1CCOCC1 AM1056 [0,1,0,1,0,0|1,0,0]=3 830 B9R1.6 O=C(O)C1CCSCC1 AM804512 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.6 O=C(O)[C@@H]1CC=CCC1 AM10071 [0,1,0,1,0,0|0,0,2]=4 832 B9R1.6 O=C(O)[C@@H]1CC=CCC1 AMY3991 [0,1,0,1,0,0|0,0,2]=4 833 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20090026 [0,1,0,1,0,0|1,0,0]=3 834 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20100254 [0,1,0,1,0,0|1,0,0]=3 835 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM803674 [0,1,0,1,0,0|1,0,0]=3 836 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM90343 [0,1,0,1,0,0|1,0,0]=3 837 B9R1.6 O=C(O)[C@@H]1CCCCO1 AM20100266 [0,1,0,1,0,0|1,0,0]=3 838 B9R1.6 O=C(O)[C@@H]1CCCCO1 AMY34469 [0,1,0,1,0,0|1,0,0]=3 839 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20080202 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20080424 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20090413 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM81366 [0,1,0,1,0,0|2,0,0]=4 843 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM81427 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.6 O=C(O)[C@@H]1CNCCO1 AM20090406 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.6 O=C(O)[C@@H]1COCCN1 AM20100777 [0,1,0,1,0,0|2,0,0]=4 846 B9R1.6 O=C(O)[C@@H]1COCCN1 AMY4263 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.6 O=C(O)[C@@H]1CSCCN1 AMY17808 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.6 O=C(O)[C@H]1CC=CCC1 AMY4035 [0,1,0,1,0,0|0,0,2]=4 849 B9R1.6 O=C(O)[C@H]1CCCCO1 AMY34375 [0,1,0,1,0,0|1,0,0]=3 850 B9R1.6 O=C(O)[C@H]1CCCNC1 AM20090295 [0,1,0,1,0,0|1,0,0]=3 851 B9R1.6 O=C(O)[C@H]1CCCNC1 AM20100216 [0,1,0,1,0,0|1,0,0]=3 852 B9R1.6 O=C(O)[C@H]1CCCNC1 AM83087 [0,1,0,1,0,0|1,0,0]=3 853 B9R1.6 O=C(O)[C@H]1CCCNC1 AMY4228 [0,1,0,1,0,0|1,0,0]=3 854 B9R1.6 O=C(O)[C@H]1CCCOC1 AM20110254 [0,1,0,1,0,0|1,0,0]=3 855 B9R1.6 O=C(O)[C@H]1CCCSC1 AMY34285 [0,1,0,1,0,0|1,0,0]=3 856 B9R1.6 O=C(O)[C@H]1CNCCO1 AMY21768 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.6 O=C(O)[C@H]1COCCN1 AMY20002 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.6 O=C(O)[C@H]1COCCN1 AMY21784 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.6 OB(O)C1CCCCC1 AM20070527 [0,1,0,1,0,0|1,0,1]=4 860 B9R1.13 C[C@H](N)CC1CCCC1 AM10862 [0,1,0,1,0,0|1,0,1]=4 861 B9R1.13 O=C(O)CC1CCCC1 AMY18728 [0,1,0,1,0,0|0,0,0]=2 862 B9R1.13 O=C(O)CN1CCCC1 AM803802 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.13 O=C(O)C[C@@H]1CCCN1 AMY28614 [0,1,0,1,0,0|1,0,0]=3 864 B9R1.13 O=C(O)C[C@@H]1CCNC1 AMY25039 [0,1,0,1,0,0|1,0,0]=3 865 B9R1.13 O=C(O)C[C@H]1CCCO1 AMY37705 [0,1,0,1,0,0|1,0,0]=3 866 B9R1.13 O=C(O)C[C@H]1CCNC1 AM20120287 [0,1,0,1,0,0|1,0,0]=3 867 B9R1.13 O=C(O)C[C@H]1CCOC1 AM20080284 [0,1,0,1,0,0|1,0,0]=3 868 B9R1.40 CC1(C)CNCCC1=O AMY37722 [0,1,0,1,0,0|1,0,0]=3 869 B9R1.40 CC1(C)COCCC1=O AMY6085 [0,1,0,1,0,0|1,0,0]=3 870 B9R1.40 CC1(C)NCCNC1=O AM20090220 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.40 O=C1CCNCC1(F)F AMY14717 [0,1,0,1,0,0|2,0,0]=4 872 B9R1.41 CN1CCC[C@H]1C(=O)O AM100855 [0,1,0,1,0,0|1,0,0]=3 873 B9R1.41 CN1CCC[C@H]1C(=O)O AM101133 [0,1,0,1,0,0|1,0,0]=3 874 B9R1.41 CN1CCC[C@H]1C(=O)O AM20090144 [0,1,0,1,0,0|1,0,0]=3 875 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AMY21145 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O AMY34381 [0,1,0,1,0,0|2,0,0]=4 877 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O AMY35737 [0,1,0,1,0,0|2,0,0]=4 878 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O AMY15345 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.148 FC1(F)CCCCCC1 AMY5922 [0,1,0,1,0,0|1,0,1]=4 880 B9R2.49 C1CC2CCC1CN2 AMY5586 [0,0,0,2,0,0|1,0,1]=4 881 B9R2.65 O=C[C@@H]1[C@H]2COC[C@H]21 AMY35684 [0,0,0,2,0,0|1,0,0]=3 882 B9R2.68 C1CC2CCC(C1)N2 AMY35137 [0,0,0,2,0,0|1,0,1]=4 883 B9R2.68 C1CC2CNCC1C2 AMY42503 [0,0,0,2,0,0|2,0,0]=4 884 B9R2.19 O=C1NCC2CC1N2 AM806533 [0,0,0,2,0,0|2,0,0]=4 885 B9R2.39 BrC1CC2CCC1C2 AMY19483 [0,0,0,2,0,0|1,0,1]=4 886 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AMY28609 [0,0,0,2,0,0|1,0,1]=4 887 B9R2.39 O=C1CC2CCC1C2 AMY10402 [0,0,0,2,0,0|0,0,0]=2 888 B9R2.39 O=C1CN2CCC1C2 AM20080170 [0,0,0,2,0,0|1,0,0]=3 889 B9R2.39 O=C1CN2CCC1C2 AM20090192 [0,0,0,2,0,0|1,0,0]=3 890 B9R2.3 C1CC2CNCC2C1 AM804052 [0,0,0,2,0,0|1,0,1]=4 891 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 AMY21341 [0,0,0,2,0,0|1,0,1]=4 892 B9R2.7 O=C1CC2CC=CC12 AMY16601 [0,0,0,2,0,0|0,0,2]=4 893 B9R2.7 O=C1C[C@H]2C=CC[C@@H]12 AMY16788 [0,0,0,2,0,0|0,0,2]=4 894 B9R2.173 C1CC2(C1)CCNC2 AMY35068 [0,0,0,2,0,0|2,0,0]=4 895 B9R2.173 C1CCC2(C1)CCN2 AM806540 [0,0,0,2,0,0|1,0,1]=4 896 B9R2.173 C1CCC2(C1)CNC2 AM20100611 [0,0,0,2,0,0|2,0,0]=4 897 B9R2.173 C1CCC2(C1)CNC2 AMY33560 [0,0,0,2,0,0|2,0,0]=4 898 B9R2.173 C1CNC2(C1)CCC2 AMY33886 [0,0,0,2,0,0|1,0,1]=4