0 B7R0.1 BrCCCCCCBr AMY11215 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.1 C#CCCCCCC AMY25742 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCCCCCCl AM85971 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C=CCCCCCO AMY7500 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 C=CCCCCNC AMY41147 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 CCCCCON=O AMY3989 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 CNCCCCNC AMY13612 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.1 ClCCCCCCCl AM84762 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 N#CCCCCCBr AMY18606 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 N#CCCSCCO AMY25176 [0,0,0,0,0,0|1,1,1]=3 10 B7R0.1 NCCCCCCO AMY18359 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.1 NCCCCCCS AMY32225 [0,0,0,0,0,0|2,1,0]=3 12 B7R0.1 NCCCNCCBr AM20090252 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.1 NCCSSCCN AM20100373 [0,0,0,0,0,0|3,1,0]=4 14 B7R0.1 OCCCCCCBr AMY2822 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.1 OCCCCCCCl AMY25606 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.1 OCCCNCCO AMY15136 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.1 OCCCOCCCl AM806608 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 BrCCCCCBr AMY11214 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 C#CCOCCO AMY28705 [1,0,0,0,0,0|0,0,2]=3 20 B6R0.6 C=CCCCCBr AM84859 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.6 C=CCCCCO AM20100796 [1,0,0,0,0,0|0,0,2]=3 22 B6R0.6 C=COCCCN AMY3063 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.6 CCCCCCC AMY22304 [1,0,0,0,0,0|1,0,0]=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|1,0,0]=2 26 B6R0.6 CCCCON=O AMY4016 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.6 CCOCCC#N AMY40959 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.6 CCOCCCN AMY21920 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.6 CCOCCCO AM20080058 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.6 CCOCOCC AMY25683 [1,0,0,0,0,0|1,0,0]=2 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|1,0,0]=2 33 B6R0.6 C\C=C\CCCO AMY2616 [1,0,0,0,0,0|0,0,2]=3 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|2,0,0]=3 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 N#CCOCCCl AMY17914 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 NCCCCCN AM61576 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.6 NCCNCCCl AMY10888 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.6 NCCOCCN AMY7556 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.6 NCCOCCO AMY18064 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.6 O=CCCCCCl AMY772 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 OCCCCCBr AM20090543 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.6 OCCOCCBr AMY4498 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.6 OCCOCCCl AMY9387 [1,0,0,0,0,0|1,0,0]=2 47 B8R0.1 CCCC[C@H](N)CCO AM20080107 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.1 CCOC(=O)CCCO AMY4323 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.4 BrCCCCCCCBr AMY11216 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.4 CCCCCCCCBr AMY9377 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.4 CCCCCCCCN AMY21876 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.4 CCCCNCCCC AM20100543 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.4 CCCCNCCCC AMY21922 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.4 CCCCOCCCC AMY14888 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.4 CCCCOCCCC AMY30969 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.4 CCCCOCCCN AMY21912 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.4 CCNCCCNCC AM20070653 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.4 COCCNCCCO AMY15137 [0,1,0,0,0,0|2,0,0]=3 59 B8R0.4 COCCNCCOC AMY734 [0,1,0,0,0,0|2,0,0]=3 60 B8R0.4 NCCCCCCCO AMY18876 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.4 NCCCCNCCO AMY30916 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.4 NCCCNCCCN AMY14287 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.4 OCCCCCCCBr AM20070667 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.4 OCCCCCCCO AMY22642 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.4 OCCCNCCCO AMY202100020 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.6 BrCCCC[C@H](Br)CBr AMY7668 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.6 C#C[C@@H](O)CCCCC AMY17779 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.6 C#C[C@@H](O)CCCCC AMY20014 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.6 CCCCC[C@@H](Br)CC AMY12158 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.6 CCCCNC(=O)CCl AM20100314 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.7 CC(=O)CCCCCBr AMY24068 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.7 CC(C)CCCCCBr AM806997 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.7 CC(C)NCCCCO AMY10379 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.7 CCCCCCB(O)O AMY30011 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.7 CCCCCCC(=O)O AMY41347 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.7 CCCCCC[C@H](C)N AMY21971 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.7 CN(C)CCCCCN AMY37685 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.7 NCCCCCC(=O)O AM82438 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.7 NCCCCCC(=O)O AMY977 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.7 NCCOCCC(=O)O AMY4548 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.7 O=C(O)CCCCCBr AM20100119 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.7 O=C(O)CCCCCO AM10824 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.7 O=C(O)CCOCCO AMY4563 [0,1,0,0,0,0|1,0,1]=3 85 B8R1.2 BrCC1CCCCC1 AM83288 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.2 BrCC1CCNCC1 AM101156 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.2 BrCC1CCNCC1 AM90776 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.2 BrCC1CCNCC1 AMY20339 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.2 BrCC1CCOCC1 AM20080196 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.2 BrC[C@H]1CCCCN1 AM100687 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.2 BrC[C@H]1CCCCN1 AM100794 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.2 BrC[C@H]1CCCNC1 AM90414 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.2 BrC[C@H]1CCCNC1 AM94088 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.2 BrC[C@H]1CNCCN1 AM81377 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.2 C#CC1CCCCC1 AMY1266 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.2 CCC1CCNCC1 AM803694 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.2 CCN1CCCCC1 AMY23165 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,0,0,1,0,0|1,0,0]=2 100 B8R1.2 CC[C@@H]1COCCN1 AMY21373 [0,0,0,1,0,0|1,0,0]=2 101 B8R1.2 CC[C@@H]1COCCN1 AMY21630 [0,0,0,1,0,0|1,0,0]=2 102 B8R1.2 CC[C@H]1CNCCN1 AM81358 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,0,0,1,0,0|1,0,0]=2 105 B8R1.2 CC[C@H]1COCCN1 AMY21416 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.2 CC[C@H]1COCCN1 AMY21733 [0,0,0,1,0,0|1,0,0]=2 107 B8R1.2 CNC1CCCCC1 AM802809 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.2 CN[C@H]1CCCNC1 AM100275 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.2 CN[C@H]1CCCNC1 AM10560 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.2 CN[C@H]1CCCNC1 AMY18447 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.2 CO[C@H]1CCCNC1 AM101090 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.2 CO[C@H]1CCCNC1 AM101144 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.2 CO[C@H]1CCCNC1 AM101293 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.2 CO[C@H]1CCCNC1 AM10535 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.2 ClCC1CCNCC1 AM100418 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.2 ClCC1CCNCC1 AM100986 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.2 ClCC1OCCCO1 AM81012 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.2 ClC[C@@H]1CNCCO1 AM807060 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.2 ClC[C@H]1CCCCN1 AM100578 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.2 ClC[C@H]1CCCCN1 AM100956 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.2 ClC[C@H]1CCCNC1 AM100526 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.2 ClC[C@H]1CCCNC1 AM100760 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.2 ClC[C@H]1CNCCO1 AM807061 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.2 ICC1CCNCC1 AM100873 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.2 ICC1CCNCC1 AM94101 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.2 ICC1CCOCC1 AM20070671 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.2 IC[C@H]1CCCCN1 AM94351 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.2 IC[C@H]1CCCNC1 AM91471 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.2 IC[C@H]1CCCNC1 AM94672 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.2 N#CC1CCCCC1 AM20070512 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.2 NCC1CCCCC1 AM803690 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.2 NCC1CCNCC1 AMY3390 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.2 NCC1CCOCC1 AM20080212 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.2 NCC1CCOCC1 AM803826 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.2 NCC1CCSCC1 AMY35633 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.2 NC[C@H]1CCCCN1 AMY3381 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,0,0,1,0,0|1,0,0]=2 139 B8R1.2 NC[C@H]1CCCNC1 AMY11508 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.2 NC[C@H]1CNCCO1 AM20080111 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.2 NC[C@H]1COCCO1 AM20120267 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.2 NNC1CCCCC1 AM803671 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.2 NNC1CCCCC1 AM9784 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.2 NNC1CCCCC1 AMY18126 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.2 NOC1CCCCC1 AMY27644 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.2 O=CC1CCCCC1 AM83285 [0,0,0,1,0,0|1,0,2]=4 149 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,0,0,1,0,0|1,0,2]=4 150 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.2 OCC1CCCCC1 AM20070443 [0,0,0,1,0,0|1,0,0]=2 153 B8R1.2 OCC1CCNCC1 AM20100583 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.2 OCC1CCOCC1 AM20080366 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.2 OCC1CCSCC1 AMY3090 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [0,0,0,1,0,0|1,0,0]=2 158 B8R1.2 OC[C@@H]1COCCN1 AMY1881 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.2 OC[C@@H]1COCCN1 AMY2068 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.2 OC[C@H]1CCC=CO1 AMY22788 [0,0,0,1,0,0|0,0,2]=3 161 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,0,0,1,0,0|1,0,0]=2 162 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,0,0,1,0,0|0,0,0]=1 163 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.2 OC[C@H]1CNCCN1 AM81378 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.2 OC[C@H]1CNCCN1 AMY14670 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [0,0,0,1,0,0|1,0,0]=2 168 B8R1.2 OC[C@H]1CNCCO1 AM802856 [0,0,0,1,0,0|1,0,0]=2 169 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [0,0,0,1,0,0|1,0,0]=2 170 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.2 OC[C@H]1COCCN1 AM20080017 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.2 OC[C@H]1COCCN1 AMY1905 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.2 OC[C@H]1COCCN1 AMY22661 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.2 OC[C@H]1COCCN1 AMY25047 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.2 OC[C@H]1COCCO1 AMY6751 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.5 CC1CCCCC1N AM804248 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.5 CC1CCCNC1C AM81284 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.5 CC1CNCCC1O AM10443 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.5 CC1CNCCC1O AM803717 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.5 CC1COCCC1N AM91481 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.5 CC1COCCC1O AM101521 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.5 CC1COCCC1S AM99651 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.5 C[C@@H]1CNCCN1C AMY32368 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.5 C[C@@H]1CNCCN1C AMY34366 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,0,0,1,0,0|1,0,2]=4 186 B8R1.5 C[C@H]1CNCCN1C AMY34386 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.5 C[C@H]1CNCCN1C AMY39146 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.5 NC1CCCCC1F AM806373 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.5 NC1CCCCC1N AM20070551 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.5 NC1CCCCC1O AMY1039 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.5 N[C@@H]1CCOC[C@@H]1F AMY35194 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.5 N[C@@H]1CCOC[C@@H]1O AMY35197 [0,0,0,1,0,0|1,0,0]=2 196 B8R1.5 N[C@@H]1CCOC[C@H]1F AMY34428 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16937 [0,0,0,1,0,0|1,0,0]=2 198 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16938 [0,0,0,1,0,0|1,0,0]=2 199 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16933 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16934 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070468 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070469 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.5 N[C@H]1CCCC[C@H]1N AMY19985 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16939 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16940 [0,0,0,1,0,0|1,0,0]=2 211 B8R1.5 N[C@H]1CCOC[C@H]1O AMY35749 [0,0,0,1,0,0|1,0,0]=2 212 B8R1.5 N[C@H]1COCC[C@@H]1O AMY16887 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.5 N[C@H]1COCC[C@H]1O AMY35193 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.5 OC1CCNCC1O AMY19280 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.5 OC1CCOCC1F AMY34852 [0,0,0,1,0,0|2,0,0]=3 218 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.5 O[C@H]1CCNC[C@H]1F AMY14765 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.5 O[C@H]1CCOC[C@@H]1F AMY35862 [0,0,0,1,0,0|2,0,0]=3 221 B8R1.5 O[C@H]1CNCC[C@H]1O AMY34059 [0,0,0,1,0,0|2,0,0]=3 222 B8R1.8 BrCCC1OCCO1 AM20090095 [0,0,0,1,0,0|1,0,0]=2 223 B8R1.8 BrCC[C@H]1CCNC1 AM100071 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.8 BrCC[C@H]1CCNC1 AM100210 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.8 BrCC[C@H]1CCNC1 AM99268 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.8 C#CCN1CCCC1 AMY20751 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.8 CNC[C@H]1CCCN1 AM91671 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.8 COC[C@H]1CCCN1 AM101258 [0,0,0,1,0,0|3,0,0]=4 229 B8R1.8 COC[C@H]1CCCN1 AM20100559 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.8 COC[C@H]1CCCN1 AM81456 [0,0,0,1,0,0|3,0,0]=4 231 B8R1.8 COC[C@H]1CCCN1 AM91166 [0,0,0,1,0,0|3,0,0]=4 232 B8R1.8 ClCCN1CCCC1 AMY4094 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.8 ClCC[C@H]1CCNC1 AM100163 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.8 ClCC[C@H]1CCNC1 AM100184 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.8 ClCC[C@H]1CCNC1 AM101210 [0,0,0,1,0,0|3,0,0]=4 236 B8R1.8 ICC[C@H]1CCNC1 AM100081 [0,0,0,1,0,0|3,0,0]=4 237 B8R1.8 ICC[C@H]1CCNC1 AM100238 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.8 ICC[C@H]1CCNC1 AM98308 [0,0,0,1,0,0|3,0,0]=4 239 B8R1.8 N#CCC1CCCC1 AMY2023 [0,0,0,1,0,0|2,0,1]=4 240 B8R1.8 N#CCN1CCCC1 AM806630 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.8 N#CCN1CCCC1 AMY16274 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.8 NCCC1CCCC1 AM20100413 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.8 NCCC1CCCC1 AMY16086 [0,0,0,1,0,0|2,0,0]=3 244 B8R1.8 NCCN1CCCC1 AMY9353 [0,0,0,1,0,0|2,0,0]=3 245 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.8 NCC[C@H]1CCNC1 AM100091 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.8 NCC[C@H]1CCNC1 AM100125 [0,0,0,1,0,0|3,0,0]=4 248 B8R1.8 NCC[C@H]1CCNC1 AM100664 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.8 NCC[C@H]1CCNC1 AM10830 [0,0,0,1,0,0|3,0,0]=4 250 B8R1.8 O=CCC1CCCC1 AMY18693 [0,0,0,1,0,0|1,0,2]=4 251 B8R1.8 OCCC1CCCC1 AMY18681 [0,0,0,1,0,0|1,0,0]=2 252 B8R1.8 OCCN1CCCC1 AM20090391 [0,0,0,1,0,0|1,0,0]=2 253 B8R1.8 OCC[C@H]1CCCN1 AMY23861 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.8 OCC[C@H]1CCNC1 AM100067 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.8 OCC[C@H]1CCNC1 AM100173 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.8 OCC[C@H]1CCNC1 AM20120341 [0,0,0,1,0,0|2,0,0]=3 257 B8R1.8 SCCN1CCCC1 AM20100120 [0,0,0,1,0,0|1,1,0]=3 258 B8R1.8 SCC[C@H]1CCNC1 AM100134 [0,0,0,1,0,0|2,1,0]=4 259 B8R1.8 SCC[C@H]1CCNC1 AM100237 [0,0,0,1,0,0|2,1,0]=4 260 B8R1.8 SCC[C@H]1CCNC1 AM99159 [0,0,0,1,0,0|2,1,0]=4 261 B8R1.10 OCCCC1COC1 AMY19719 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.10 OCCCN1CCC1 AMY37454 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.11 C#CC1CCCC1O AMY20186 [0,0,0,1,0,0|1,0,2]=4 264 B8R1.11 CN1CCC[C@@H]1CBr AM101006 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.11 CN1CCC[C@@H]1CBr AM101207 [0,0,0,1,0,0|3,0,0]=4 266 B8R1.11 CN1CCC[C@@H]1CCl AM100987 [0,0,0,1,0,0|3,0,0]=4 267 B8R1.11 CN1CCC[C@@H]1CCl AM97531 [0,0,0,1,0,0|3,0,0]=4 268 B8R1.11 CN1CCC[C@@H]1CI AM100992 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.11 CN1CCC[C@@H]1CI AM96163 [0,0,0,1,0,0|3,0,0]=4 270 B8R1.11 CN1CCC[C@@H]1CN AM100590 [0,0,0,1,0,0|3,0,0]=4 271 B8R1.11 CN1CCC[C@@H]1CN AM101111 [0,0,0,1,0,0|3,0,0]=4 272 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,0,0,1,0,0|2,0,0]=3 273 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.11 CO[C@H]1CNC[C@@H]1O AMY35656 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.11 NC[C@H]1COC[C@@H]1O AMY35772 [0,0,0,1,0,0|1,0,0]=2 276 B8R1.22 CN1CCCNCC1 AMY31990 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.22 C[C@H]1CCCNCC1 AM803851 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.22 C[C@H]1CCNCCN1 AMY38552 [0,0,0,1,0,0|2,0,0]=3 279 B8R1.22 C[C@H]1CNCCCN1 AMY15712 [0,0,0,1,0,0|3,0,0]=4 280 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,0,0,1,0,0|2,0,0]=3 281 B8R1.22 FC1CNCCNC1 AM90251 [0,0,0,1,0,0|3,0,0]=4 282 B8R1.22 F[C@H]1CCCCNC1 AM806514 [0,0,0,1,0,0|2,0,0]=3 283 B8R1.22 F[C@H]1CCCNCC1 AM806515 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.22 F[C@H]1CCCNCC1 AMY34974 [0,0,0,1,0,0|3,0,0]=4 285 B8R1.22 N[C@@H]1CCCCNC1 AMY3810 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.22 N[C@H]1CCCCNC1 AM20100642 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.22 N[C@H]1CCCCNC1 AM9633 [0,0,0,1,0,0|2,0,0]=3 288 B8R1.22 O=C1CCCCCC1 AMY3995 [0,0,0,1,0,0|1,0,2]=4 289 B8R1.22 OC1CNCCNC1 AM90255 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.36 CCCNCC1CC1 AMY2642 [0,0,0,1,0,0|2,0,0]=3 292 B8R1.49 C1=CCCCCCC1 AMY11766 [0,0,0,1,0,0|2,0,1]=4 293 B8R1.49 C1=CCCCCCC1 AMY19666 [0,0,0,1,0,0|2,0,1]=4 294 B8R1.49 C1CNCCCNC1 AMY15750 [0,0,0,1,0,0|3,0,0]=4 295 B5R0.2 BrCCCCBr AM20080049 [2,0,0,0,0,0|2,0,0]=4 296 B5R0.2 C#CCCCC AMY1242 [2,0,0,0,0,0|0,0,2]=4 297 B5R0.2 C=CCCCO AMY41353 [2,0,0,0,0,0|0,0,2]=4 298 B5R0.2 CCC#CCO AMY1239 [2,0,0,0,0,0|0,0,2]=4 299 B5R0.2 CCCCCBr AMY9378 [2,0,0,0,0,0|1,0,0]=3 300 B5R0.2 CCCCCC AMY22305 [2,0,0,0,0,0|0,0,0]=2 301 B5R0.2 CCCCCN AMY21878 [2,0,0,0,0,0|1,0,0]=3 302 B5R0.2 CCCCCS AMY19243 [2,0,0,0,0,0|0,1,0]=3 303 B5R0.2 CCCCNN AMY202003284 [2,0,0,0,0,0|2,0,0]=4 304 B5R0.2 CCCNCC AMY13343 [2,0,0,0,0,0|1,0,0]=3 305 B5R0.2 CNCCCN AM20100546 [2,0,0,0,0,0|2,0,0]=4 306 B5R0.2 CNCCNC AM86300 [2,0,0,0,0,0|2,0,0]=4 307 B5R0.2 COCCC#N AMY40960 [2,0,0,0,0,0|1,0,1]=4 308 B5R0.2 COCCCBr AM20090592 [2,0,0,0,0,0|1,0,0]=3 309 B5R0.2 COCCCCl AMY25654 [2,0,0,0,0,0|1,0,0]=3 310 B5R0.2 COCCCN AMY21871 [2,0,0,0,0,0|1,0,0]=3 311 B5R0.2 COCCCN AMY38449 [2,0,0,0,0,0|1,0,0]=3 312 B5R0.2 COCCCO AM20080231 [2,0,0,0,0,0|1,0,0]=3 313 B5R0.2 COCCNN AM803665 [2,0,0,0,0,0|2,0,0]=4 314 B5R0.2 COCCNN AMY202003278 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.2 COCCOC AMY25530 [2,0,0,0,0,0|1,0,0]=3 316 B5R0.2 COCCON AMY27642 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.2 CSCCCCl AMY744 [2,0,0,0,0,0|1,1,0]=4 318 B5R0.2 ClCCCCI AMY2538 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.2 ClCCOCCl AMY38249 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.2 NCCCCCl AMY15236 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.2 NCCCCN AM20090504 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.2 NCCCCO AMY17788 [2,0,0,0,0,0|1,0,0]=3 323 B7R0.3 CCCC[C@H](N)CO AMY7200 [1,1,0,0,0,0|0,0,0]=2 324 B7R0.3 CCCC[C@H](O)CO AMY11157 [1,1,0,0,0,0|0,0,0]=2 325 B7R0.3 CCCOC(=O)CC AMY21939 [1,1,0,0,0,0|1,0,1]=4 326 B7R0.3 CCOC[C@@H](O)CO AMY318 [1,1,0,0,0,0|1,0,0]=3 327 B7R0.3 C[C@H](CN)CCCN AMY37195 [1,1,0,0,0,0|2,0,0]=4 328 B7R0.3 OCCC[C@H](O)CO AMY202100026 [1,1,0,0,0,0|1,0,0]=3 329 B7R0.4 CC(=O)CCCCCl AM90172 [1,1,0,0,0,0|1,0,1]=4 330 B7R0.4 CC(C)CCON=O AMY3781 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.4 CC(C)NCCCO AMY41464 [1,1,0,0,0,0|1,0,0]=3 332 B7R0.4 CCCCC[C@@H](C)O AMY25723 [1,1,0,0,0,0|0,0,0]=2 333 B7R0.4 CCCCC[C@H](C)N AMY3809 [1,1,0,0,0,0|1,0,0]=3 334 B7R0.4 CCCCOC(C)=O AMY11075 [1,1,0,0,0,0|0,0,1]=3 335 B7R0.4 CCCOCC(=O)O AMY4018 [1,1,0,0,0,0|0,0,1]=3 336 B7R0.4 CN(C)CCCCN AMY31964 [1,1,0,0,0,0|2,0,0]=4 337 B7R0.4 CN(C)CCCCO AMY9644 [1,1,0,0,0,0|1,0,0]=3 338 B7R0.4 CNCCCC(=O)O AMY5046 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.4 CNCCOC(C)=O AMY15057 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.4 C[C@H](O)CNCCO AM807035 [1,1,0,0,0,0|1,0,0]=3 341 B7R0.4 NCCCCC(=O)O AM82459 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.4 NCCCCC(=O)O AMY39227 [1,1,0,0,0,0|1,0,1]=4 343 B7R0.4 O=C(O)CCCCBr AM85660 [1,1,0,0,0,0|1,0,1]=4 344 B7R0.4 O=C(O)CCCCCl AMY40897 [1,1,0,0,0,0|1,0,1]=4 345 B7R0.4 O=C(O)COCCCl AMY28725 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.7 C=C(OCC)OCC AM9861 [1,1,0,0,0,0|1,0,1]=4 347 B7R0.7 CCCC(=O)CCC AMY3807 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.7 CCCC(N)CCC AMY3864 [1,1,0,0,0,0|1,0,0]=3 349 B7R0.7 CCCC(O)CCC AMY23531 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.7 CCC[C@H](N)CCO AM20100578 [1,1,0,0,0,0|0,0,0]=2 351 B7R0.7 CCOC(=O)CCN AM803889 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.7 CCOC(=O)CCO AMY20483 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.7 CCOC(=O)CNC AM82644 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.7 CCOC(=O)CNC AMY3815 [1,1,0,0,0,0|1,0,1]=4 355 B7R0.7 CCOC(=O)COC AMY3969 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.7 CCOC(=O)CSC AMY33462 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.7 CCOC(=O)OCC AMY11101 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.7 CCOP(C)OCC AMY758 [1,1,0,0,0,0|2,0,0]=4 359 B7R0.7 CCOP(Cl)OCC AMY843 [1,1,0,0,0,0|2,0,0]=4 360 B7R0.7 CCOP([O-])OCC AMY7038 [1,1,0,0,0,0|2,0,0]=4 361 B7R0.7 CCOS(=O)OCC AMY17996 [1,1,0,0,0,0|2,0,0]=4 362 B9R0.4 CCCCC(=O)CC(C)C AMY19268 [0,2,0,0,0,0|2,0,0]=4 363 B9R0.4 CCCC[C@H](O)CC(C)C AMY19262 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.18 CCCCC(O)CCCC AMY19319 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.2 CC(=O)OCCOCCO AMY28818 [0,2,0,0,0,0|0,0,1]=3 366 B9R0.2 CC(C)CCCCCC=O AM20120578 [0,2,0,0,0,0|1,0,1]=4 367 B9R0.2 CCCCCCCC(=O)[O-] AMY19799 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.2 CCCNCCCN(C)C AMY41317 [0,2,0,0,0,0|2,0,0]=4 369 B9R0.2 NCCCCCCC(=O)O AM20120334 [0,2,0,0,0,0|1,0,1]=4 370 B9R0.2 O=C(O)CCCCCCBr AMY10966 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.2 O=C(O)CCCCCCO AM20090595 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.2 O=C(O)CNCCCCO AM806410 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.45 BrCCCCCCCCBr AMY11217 [0,2,0,0,0,0|2,0,0]=4 374 B9R0.45 C#CCOCCOCCO AM804281 [0,2,0,0,0,0|0,0,1]=3 375 B9R0.45 CCCCCCCCC=O AMY15728 [0,2,0,0,0,0|1,0,1]=4 376 B9R0.45 COCCOCCN=[N+]=[N-] AMY4537 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.45 ClCCOCCOCCCl AMY9371 [0,2,0,0,0,0|1,0,0]=3 378 B9R0.45 NCCCOCCCCO AMY21928 [0,2,0,0,0,0|1,0,0]=3 379 B9R0.45 NCCNCCNCCN AMY3335 [0,2,0,0,0,0|2,0,0]=4 380 B9R0.45 NCCOCCOCCN AMY18831 [0,2,0,0,0,0|1,0,0]=3 381 B9R0.45 NCCOCCOCCO AMY4573 [0,2,0,0,0,0|0,0,0]=2 382 B9R0.45 OCCCCCCCCCl AM62618 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.45 OCCNCCNCCO AM20100148 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.45 OCCOCCOCCBr AMY4497 [0,2,0,0,0,0|0,0,0]=2 385 B9R0.45 OCCOCCOCCO AMY375 [0,2,0,0,0,0|0,0,0]=2 386 B9R0.45 OCCSCCSCCO AMY25705 [0,2,0,0,0,0|0,1,0]=3 387 B9R0.45 SCCOCCOCCS AMY9433 [0,2,0,0,0,0|0,1,0]=3 388 B9R0.46 CCCCCCC(=O)NO AM806754 [0,2,0,0,0,0|1,0,1]=4 389 B9R0.47 CCCCC[C@H](C)C(=O)O AMY25539 [0,2,0,0,0,0|1,0,1]=4 390 B9R0.55 CC(C)CCOCC(=O)O AMY15507 [0,2,0,0,0,0|0,0,1]=3 391 B7R1.1 BrCC1CCCC1 AMY6992 [1,0,0,1,0,0|1,0,0]=3 392 B7R1.1 BrCC1OCCO1 AMY39416 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.1 BrC[C@H]1CCCN1 AM100802 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.1 BrC[C@H]1CCCN1 AM102098 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.1 BrC[C@H]1CCCN1 AM93871 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [1,0,0,1,0,0|1,0,0]=3 397 B7R1.1 BrC[C@H]1CCNC1 AM91583 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.1 BrC[C@H]1CCNC1 AM94346 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [1,0,0,1,0,0|1,0,0]=3 400 B7R1.1 CCC1=NCCO1 AM84318 [1,0,0,1,0,0|1,0,1]=4 401 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [1,0,0,1,0,0|1,0,0]=3 402 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [1,0,0,1,0,0|1,0,0]=3 403 B7R1.1 CC[C@H]1CCCN1 AMY37675 [1,0,0,1,0,0|1,0,0]=3 404 B7R1.1 CC[C@H]1CCNC1 AMY34423 [1,0,0,1,0,0|1,0,0]=3 405 B7R1.1 CNC1CCCC1 AMY10584 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [1,0,0,1,0,0|1,0,0]=3 407 B7R1.1 CN[C@H]1CCNC1 AM101327 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.1 CN[C@H]1CCNC1 AM97548 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.1 CN[C@H]1CCNC1 AM97549 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.1 CN[C@H]1CCOC1 AM20120293 [1,0,0,1,0,0|1,0,0]=3 411 B7R1.1 CN[C@H]1CCOC1 AMY34214 [1,0,0,1,0,0|1,0,0]=3 412 B7R1.1 CN[C@H]1CCOC1 AMY37563 [1,0,0,1,0,0|1,0,0]=3 413 B7R1.1 CO[C@H]1CCNC1 AM100854 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.1 CO[C@H]1CCNC1 AM20100541 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.1 CO[C@H]1CCNC1 AM91096 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.1 CO[C@H]1CCNC1 AM91097 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.1 CO[C@H]1CCNC1 AM97517 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.1 ClC[C@H]1CCCN1 AM100703 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.1 ClC[C@H]1CCCN1 AM100886 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.1 ClC[C@H]1CCCN1 AM100930 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.1 ClC[C@H]1CCNC1 AM101443 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.1 ClC[C@H]1CCNC1 AM91070 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.1 FC[C@H]1CCCN1 AM20110257 [1,0,0,1,0,0|2,0,0]=4 424 B7R1.1 IC[C@H]1CCCN1 AM100991 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.1 IC[C@H]1CCCN1 AM92918 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.1 IC[C@H]1CCCN1 AM96723 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.1 IC[C@H]1CCNC1 AM91584 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.1 IC[C@H]1CCNC1 AM94098 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.1 IC[C@H]1CCOC1 AMY33647 [1,0,0,1,0,0|1,0,0]=3 430 B7R1.1 N#C[C@H]1CCOC1 AMY2709 [1,0,0,1,0,0|1,0,1]=4 431 B7R1.1 NCC1CCCC1 AM20100430 [1,0,0,1,0,0|1,0,0]=3 432 B7R1.1 NCC1CCCC1 AM804123 [1,0,0,1,0,0|1,0,0]=3 433 B7R1.1 NC[C@H]1CCCN1 AM20100417 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.1 NC[C@H]1CCCN1 AMY5139 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.1 NC[C@H]1CCCO1 AM81808 [1,0,0,1,0,0|1,0,0]=3 436 B7R1.1 NC[C@H]1CCCO1 AM81809 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.1 NC[C@H]1CCOC1 AM20070698 [1,0,0,1,0,0|1,0,0]=3 438 B7R1.1 NC[C@H]1CCOC1 AM20070699 [1,0,0,1,0,0|1,0,0]=3 439 B7R1.1 NC[C@H]1CCOC1 AM20080467 [1,0,0,1,0,0|1,0,0]=3 440 B7R1.1 NC[C@H]1CCOC1 AM20090079 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.1 NNC1CCCC1 AM803574 [1,0,0,1,0,0|2,0,0]=4 442 B7R1.1 NN[C@@H]1CCOC1 AMY37477 [1,0,0,1,0,0|2,0,0]=4 443 B7R1.1 NN[C@H]1CCOC1 AM9768 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.1 NN[C@H]1CCOC1 AMY13662 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.1 NOC1CCCC1 AMY27645 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.1 O=CC1CCCC1 AM83284 [1,0,0,1,0,0|0,0,2]=4 447 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [1,0,0,1,0,0|0,0,2]=4 448 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.1 OCC1CC=CC1 AM20090293 [1,0,0,1,0,0|0,0,2]=4 450 B7R1.1 OCC1CCCC1 AM20090579 [1,0,0,1,0,0|0,0,0]=2 451 B7R1.1 OCC1OCCO1 AMY35660 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [1,0,0,1,0,0|0,0,0]=2 453 B7R1.1 OC[C@H]1CCCN1 AM20100639 [1,0,0,1,0,0|1,0,0]=3 454 B7R1.1 OC[C@H]1CCCN1 AM803960 [1,0,0,1,0,0|1,0,0]=3 455 B7R1.1 OC[C@H]1CCCN1 AM82208 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.1 OC[C@H]1CCCO1 AM81815 [1,0,0,1,0,0|0,0,0]=2 457 B7R1.1 OC[C@H]1CCCO1 AMY19266 [1,0,0,1,0,0|0,0,0]=2 458 B7R1.1 OC[C@H]1CCNC1 AM20080050 [1,0,0,1,0,0|1,0,0]=3 459 B7R1.1 OC[C@H]1CCNC1 AM20100247 [1,0,0,1,0,0|1,0,0]=3 460 B7R1.1 OC[C@H]1CCNC1 AMY20013 [1,0,0,1,0,0|1,0,0]=3 461 B7R1.1 OC[C@H]1CCOC1 AM20080182 [1,0,0,1,0,0|1,0,0]=3 462 B7R1.1 OC[C@H]1CCOC1 AM20080421 [1,0,0,1,0,0|1,0,0]=3 463 B7R1.1 OC[C@H]1CCOC1 AMY23730 [1,0,0,1,0,0|1,0,0]=3 464 B7R1.1 ON=C1CCCC1 AM20080131 [1,0,0,1,0,0|1,0,1]=4 465 B7R1.1 SC[C@H]1CCNC1 AM98788 [1,0,0,1,0,0|1,1,0]=4 466 B7R1.3 BrC1CCNCC1 AM101554 [1,0,0,1,0,0|2,0,0]=4 467 B7R1.3 BrC1CCNCC1 AM20100339 [1,0,0,1,0,0|2,0,0]=4 468 B7R1.3 BrC1CCNCC1 AM90402 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.3 BrC1CCOCC1 AM90079 [1,0,0,1,0,0|1,0,0]=3 470 B7R1.3 Br[C@H]1CCCNC1 AM100929 [1,0,0,1,0,0|2,0,0]=4 471 B7R1.3 Br[C@H]1CCCNC1 AM90468 [1,0,0,1,0,0|2,0,0]=4 472 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [1,0,0,1,0,0|1,0,0]=3 473 B7R1.3 C=C1CCCCC1 AMY736 [1,0,0,1,0,0|1,0,1]=4 474 B7R1.3 C=C1CCCOC1 AMY6008 [1,0,0,1,0,0|1,0,1]=4 475 B7R1.3 C=C1CCOCC1 AMY34984 [1,0,0,1,0,0|0,0,2]=4 476 B7R1.3 CC1=CCOCC1 AMY5953 [1,0,0,1,0,0|0,0,2]=4 477 B7R1.3 CC1CCNCC1 AMY23280 [1,0,0,1,0,0|1,0,0]=3 478 B7R1.3 CC1CCOCC1 AMY6168 [1,0,0,1,0,0|0,0,0]=2 479 B7R1.3 CC1SCCCS1 AMY24701 [1,0,0,1,0,0|1,1,0]=4 480 B7R1.3 CN1CCCCC1 AM20100531 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.3 CN1CCNCC1 AM81360 [1,0,0,1,0,0|2,0,0]=4 482 B7R1.3 CN1CCOCC1 AMY14818 [1,0,0,1,0,0|1,0,0]=3 483 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [1,0,0,1,0,0|1,0,0]=3 484 B7R1.3 C[C@@H]1COCCN1 AMY21764 [1,0,0,1,0,0|1,0,0]=3 485 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [1,0,0,1,0,0|0,0,2]=4 486 B7R1.3 C[C@H]1CCCCN1 AM20080042 [1,0,0,1,0,0|1,0,0]=3 487 B7R1.3 C[C@H]1CCCCN1 AM81342 [1,0,0,1,0,0|1,0,0]=3 488 B7R1.3 C[C@H]1CCCNC1 AM86032 [1,0,0,1,0,0|2,0,0]=4 489 B7R1.3 C[C@H]1CCCNC1 AM86033 [1,0,0,1,0,0|2,0,0]=4 490 B7R1.3 C[C@H]1CCCNC1 AMY5569 [1,0,0,1,0,0|2,0,0]=4 491 B7R1.3 C[C@H]1CNCCN1 AM20080043 [1,0,0,1,0,0|2,0,0]=4 492 B7R1.3 C[C@H]1CNCCN1 AM81347 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.3 C[C@H]1CNCCN1 AM81348 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.3 C[C@H]1CNCCO1 AM20090347 [1,0,0,1,0,0|1,0,0]=3 495 B7R1.3 C[C@H]1CNCCO1 AM85055 [1,0,0,1,0,0|1,0,0]=3 496 B7R1.3 C[C@H]1CNCCO1 AMY21629 [1,0,0,1,0,0|1,0,0]=3 497 B7R1.3 C[C@H]1CNCCO1 AMY9349 [1,0,0,1,0,0|1,0,0]=3 498 B7R1.3 C[C@H]1COCCN1 AM20100118 [1,0,0,1,0,0|1,0,0]=3 499 B7R1.3 C[C@H]1COCCN1 AM803755 [1,0,0,1,0,0|1,0,0]=3 500 B7R1.3 C[C@H]1COCCN1 AM804311 [1,0,0,1,0,0|1,0,0]=3 501 B7R1.3 C[C@H]1COCCN1 AM806455 [1,0,0,1,0,0|1,0,0]=3 502 B7R1.3 C[C@H]1COCCN1 AMY22799 [1,0,0,1,0,0|1,0,0]=3 503 B7R1.3 ClC1CCCCC1 AM90219 [1,0,0,1,0,0|1,0,0]=3 504 B7R1.3 ClC1CCNCC1 AM100920 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.3 ClC1CCNCC1 AM20100323 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.3 ClC1CCOCC1 AM794 [1,0,0,1,0,0|1,0,0]=3 507 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [1,0,0,1,0,0|2,0,0]=4 509 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [1,0,0,1,0,0|2,0,0]=4 510 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [1,0,0,1,0,0|2,0,0]=4 511 B7R1.3 FC1CCNCC1 AM20100405 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.3 FC1CCOCC1 AM100580 [1,0,0,1,0,0|1,0,0]=3 513 B7R1.3 F[C@H]1CCCNC1 AM20080116 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.3 IC1CCNCC1 AM101380 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.3 IC1CCNCC1 AM94352 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.3 IC1CCOCC1 AM20090312 [1,0,0,1,0,0|1,0,0]=3 517 B7R1.3 NC1CCCCC1 AM802905 [1,0,0,1,0,0|1,0,0]=3 518 B7R1.3 NC1CCNCC1 AM85323 [1,0,0,1,0,0|2,0,0]=4 519 B7R1.3 NC1CCNCC1 AM85335 [1,0,0,1,0,0|2,0,0]=4 520 B7R1.3 NC1CCOCC1 AM20090495 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.3 NC1CCOCC1 AM20100013 [1,0,0,1,0,0|1,0,0]=3 522 B7R1.3 NC1CCOCC1 AM669 [1,0,0,1,0,0|1,0,0]=3 523 B7R1.3 NC1CCSCC1 AMY32230 [1,0,0,1,0,0|1,1,0]=4 524 B7R1.3 NC1CCSCC1 AMY3238 [1,0,0,1,0,0|1,1,0]=4 525 B7R1.3 NN1CCCCC1 AM85332 [1,0,0,1,0,0|2,0,0]=4 526 B7R1.3 NN1CCCCC1 AM85348 [1,0,0,1,0,0|2,0,0]=4 527 B7R1.3 N[C@@H]1CCCNC1 AMY258 [1,0,0,1,0,0|2,0,0]=4 528 B7R1.3 N[C@H]1CCCNC1 AM20090507 [1,0,0,1,0,0|2,0,0]=4 529 B7R1.3 N[C@H]1CCCNC1 AM20090508 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.3 N[C@H]1CCCNC1 AM81346 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.3 N[C@H]1CCCNC1 AMY19293 [1,0,0,1,0,0|2,0,0]=4 532 B7R1.3 N[C@H]1CCCOC1 AM20080156 [1,0,0,1,0,0|1,0,0]=3 533 B7R1.3 N[C@H]1CCCOC1 AM20120527 [1,0,0,1,0,0|1,0,0]=3 534 B7R1.3 N[C@H]1CCCOC1 AMY34426 [1,0,0,1,0,0|1,0,0]=3 535 B7R1.3 N[C@H]1CCCOC1 AMY41756 [1,0,0,1,0,0|1,0,0]=3 536 B7R1.3 N[C@H]1CCCOC1 AMY5963 [1,0,0,1,0,0|1,0,0]=3 537 B7R1.3 O=C1CCCOC1 AM20090251 [1,0,0,1,0,0|0,0,2]=4 538 B7R1.3 O=C1CCOCC1 AM20090400 [1,0,0,1,0,0|1,0,1]=4 539 B7R1.3 O=S1CCOCC1 AMY42358 [1,0,0,1,0,0|2,0,0]=4 540 B7R1.3 OC1CCNCC1 AM20100322 [1,0,0,1,0,0|1,0,0]=3 541 B7R1.3 OC1CCNCC1 AMY24233 [1,0,0,1,0,0|1,0,0]=3 542 B7R1.3 OC1CCOCC1 AM20090170 [1,0,0,1,0,0|1,0,0]=3 543 B7R1.3 OC1CCSCC1 AMY37357 [1,0,0,1,0,0|1,0,0]=3 544 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [1,0,0,1,0,0|0,0,2]=4 545 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [1,0,0,1,0,0|0,0,0]=2 546 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [1,0,0,1,0,0|1,0,0]=3 547 B7R1.3 O[C@H]1CCCNC1 AM101043 [1,0,0,1,0,0|1,0,0]=3 548 B7R1.3 O[C@H]1CCCNC1 AM20090141 [1,0,0,1,0,0|1,0,0]=3 549 B7R1.3 O[C@H]1CCCNC1 AM20100189 [1,0,0,1,0,0|1,0,0]=3 550 B7R1.3 O[C@H]1CCCNC1 AM20100577 [1,0,0,1,0,0|1,0,0]=3 551 B7R1.3 O[C@H]1CCCNC1 AM20100636 [1,0,0,1,0,0|1,0,0]=3 552 B7R1.3 O[C@H]1CCCOC1 AM20090136 [1,0,0,1,0,0|0,0,0]=2 553 B7R1.3 SC1CCCCC1 AMY11243 [1,0,0,1,0,0|0,1,0]=3 554 B7R1.3 SC1CCOCC1 AM100476 [1,0,0,1,0,0|1,0,0]=3 555 B7R1.3 S[C@H]1CCCNC1 AMY35402 [1,0,0,1,0,0|1,1,0]=4 556 B7R1.4 CC1CNCC1O AM806548 [1,0,0,1,0,0|1,0,0]=3 557 B7R1.4 C[C@H]1CCCC1=O AM84338 [1,0,0,1,0,0|0,0,2]=4 558 B7R1.4 C[C@H]1CCOC1=O AM20090007 [1,0,0,1,0,0|0,0,2]=4 559 B7R1.4 NC1CCCC1N AMY40491 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.4 NC1CCCC1O AMY1026 [1,0,0,1,0,0|1,0,0]=3 561 B7R1.4 NC1COCC1F AMY23754 [1,0,0,1,0,0|2,0,0]=4 562 B7R1.4 NC1COCC1O AM803216 [1,0,0,1,0,0|1,0,0]=3 563 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [1,0,0,1,0,0|1,0,0]=3 564 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [1,0,0,1,0,0|1,0,0]=3 565 B7R1.4 N[C@@H]1COC[C@@H]1N AMY16787 [1,0,0,1,0,0|2,0,0]=4 566 B7R1.4 N[C@@H]1COC[C@H]1O AMY34430 [1,0,0,1,0,0|1,0,0]=3 567 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [1,0,0,1,0,0|1,0,0]=3 568 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [1,0,0,1,0,0|2,0,0]=4 569 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [1,0,0,1,0,0|1,0,0]=3 570 B7R1.4 N[C@H]1COC[C@@H]1O AMY34415 [1,0,0,1,0,0|1,0,0]=3 571 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [1,0,0,1,0,0|1,0,0]=3 572 B7R1.4 O[C@H]1CNC[C@@H]1F AMY34432 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.4 O[C@H]1CNC[C@@H]1O AMY19214 [1,0,0,1,0,0|2,0,0]=4 574 B7R1.4 O[C@H]1CNC[C@@H]1O AMY6780 [1,0,0,1,0,0|2,0,0]=4 575 B7R1.4 O[C@H]1CNC[C@H]1F AMY35198 [1,0,0,1,0,0|2,0,0]=4 576 B7R1.4 O[C@H]1CNC[C@H]1O AMY16905 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.4 O[C@H]1COC[C@H]1O AMY16786 [1,0,0,1,0,0|1,0,0]=3 578 B7R1.6 CCOC1CNC1 AM804015 [1,0,0,1,0,0|1,0,0]=3 579 B7R1.6 NCCC1CCC1 AMY34747 [1,0,0,1,0,0|1,0,0]=3 580 B7R1.6 NCCC1COC1 AMY19670 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.6 NCCN1CCC1 AMY34670 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.6 OCCC1CCC1 AM807009 [1,0,0,1,0,0|0,0,0]=2 583 B7R1.6 OCCC1COC1 AMY19718 [1,0,0,1,0,0|1,0,0]=3 584 B7R1.6 OCCN1CCC1 AM806453 [1,0,0,1,0,0|1,0,0]=3 585 B7R1.6 OCCN1CCC1 AMY37413 [1,0,0,1,0,0|1,0,0]=3 586 B7R1.7 CCOC[C@H]1CO1 AM20100065 [1,0,0,1,0,0|1,0,0]=3 587 B7R1.7 OCC#CC1CC1 AMY34844 [1,0,0,1,0,0|0,0,2]=4 588 B7R1.8 NCC1CCC1F AMY35801 [1,0,0,1,0,0|2,0,0]=4 589 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [1,0,0,1,0,0|1,0,0]=3 590 B7R1.24 C1CNCCNC1 AM100887 [1,0,0,1,0,0|2,0,0]=4 591 B7R1.24 C1CNCCOC1 AM20090058 [1,0,0,1,0,0|1,0,0]=3 592 B9R1.2 CC1CCCC(CN)C1 AM806484 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.2 CCN1CCC[C@H](O)C1 AM20080247 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.2 CN1CCC[C@H](CO)C1 AM20100739 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.2 CN1CCO[C@@H](CN)C1 AM20090086 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.2 CN1CCO[C@@H](CN)C1 AMY14669 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.2 COC1CCCC(O)C1 AMY34868 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.2 NCC1CCCC(O)C1 AM20070448 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.2 O=C1CCC[C@@H](CO)N1 AMY16344 [0,1,0,1,0,0|1,0,1]=4 600 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,1,0,1,0,0|1,0,1]=4 601 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16343 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16345 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.7 NCCN1CC[C@H](O)C1 AM100925 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.7 NCCN1CC[C@H](O)C1 AM101124 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.7 NCCN1CC[C@H](O)C1 AM101366 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.8 BrCCC1CCNCC1 AM90686 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.8 BrCCC1CCOCC1 AM100848 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.8 BrCCN1CCCCO1 AM806071 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.8 BrCCN1CCOCC1 AM85767 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.8 BrCCN1CCOCC1 AMY23075 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.8 BrCC[C@H]1CCCNC1 AM100581 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.8 CCNC1CCCCC1 AM20070548 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.8 CCN[C@H]1CCCNC1 AM91373 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.8 CCO[C@@H]1CNCCO1 AMY16334 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.8 CNCC1CCCCC1 AM803595 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.8 CNC[C@H]1CCCCN1 AM100614 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.8 CNC[C@H]1CCCNC1 AM90573 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.8 COCC1CCNCC1 AM100768 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.8 COCC1CCNCC1 AM20120325 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.8 COC[C@@H]1CCCCN1 AM807049 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.8 COC[C@H]1CCCCN1 AM806273 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.8 COC[C@H]1CCCCN1 AM90528 [0,1,0,1,0,0|1,0,0]=3 623 B9R1.8 COC[C@H]1CCCNC1 AM101145 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.8 COC[C@H]1CCCNC1 AM90790 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.8 ClCCC1CCNCC1 AM90696 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.8 ClCCC1CCOCC1 AM100847 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.8 ClCCN1CCCCC1 AM20090146 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.8 ClCCN1CCOCC1 AM90204 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.8 ClCCN1CCOCC1 AMY15190 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.8 ClCC[C@H]1CCCNC1 AM99496 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.8 FCCN1CCNCC1 AMY23125 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.8 ICCC1CCNCC1 AM100793 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.8 ICCC1CCOCC1 AM100845 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.8 ICC[C@H]1CCCNC1 AM97540 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.8 NCCC1=CCCCC1 AMY14247 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.8 NCCC1CCCCC1 AMY38665 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.8 NCCC1CCNCC1 AM101244 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.8 NCCC1CCNCC1 AMY15188 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.8 NCCC1CCOCC1 AM20100593 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.8 NCCC1CCOCC1 AM803825 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.8 NCCN1CCCCC1 AMY5277 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.8 NCCN1CCCCO1 AM806000 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.8 NCCN1CCNCC1 AM81364 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.8 NCCN1CCOCC1 AMY23256 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.8 NCC[C@H]1CCCCN1 AMY21355 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.8 NCC[C@H]1CCCNC1 AM101532 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.8 NNCC1CCCCC1 AMY202003293 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.8 O=CCC1CCCCC1 AMY24044 [0,1,0,1,0,0|1,0,1]=4 649 B9R1.8 OCCC1CCOCC1 AM100846 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.8 OCCN1CCCCC1 AMY9422 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.8 OCCN1CCCCO1 AM806477 [0,1,0,1,0,0|0,0,0]=2 652 B9R1.8 OCCN1CCNCC1 AM20070679 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.8 OCCN1CCOCC1 AMY9419 [0,1,0,1,0,0|1,0,0]=3 654 B9R1.8 OCC[C@@H]1C=CCCC1 AM86042 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.8 OCC[C@@H]1CCCCN1 AMY21751 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.8 OCC[C@@H]1COCCN1 AMY1958 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.8 OCC[C@H]1CCCCN1 AM20080368 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.8 OCC[C@H]1CCCCN1 AM20100783 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.8 OCC[C@H]1CCCCN1 AMY21750 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.8 OCC[C@H]1CCCNC1 AM101208 [0,1,0,1,0,0|1,0,0]=3 661 B9R1.8 OCC[C@H]1CCCNC1 AM81154 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.8 OCC[C@H]1CCCOC1 AMY38303 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.8 SCCC1CCNCC1 AM101536 [0,1,0,1,0,0|1,1,0]=4 664 B9R1.8 SCCC1CCOCC1 AM98456 [0,1,0,1,0,0|1,1,0]=4 665 B9R1.8 SCC[C@H]1CCCNC1 AM98083 [0,1,0,1,0,0|1,1,0]=4 666 B9R1.12 CCNC[C@H]1CCCN1 AM91659 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.12 ClCCCC1OCCO1 AM20080476 [0,1,0,1,0,0|0,0,0]=2 668 B9R1.12 ClCCCN1CCCC1 AM804073 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.12 NCCCN1CCCC1 AM20090247 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.12 NCCOC1CCCC1 AMY20123 [0,1,0,1,0,0|1,0,0]=3 671 B9R1.12 NCCOC1CCCC1 AMY20124 [0,1,0,1,0,0|1,0,0]=3 672 B9R1.12 NOCCN1CCCC1 AMY27641 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.12 OCCCN1CCCC1 AMY38662 [0,1,0,1,0,0|1,0,0]=3 674 B9R1.15 CCC1CCCCC1O AM20070485 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.15 CN1CCCC[C@@H]1CN AMY21400 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.15 CN1CCCC[C@@H]1CO AM20090174 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.15 CNC1CCOCC1C AM99294 [0,1,0,1,0,0|1,0,0]=3 678 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY928 [0,1,0,1,0,0|1,0,0]=3 679 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY929 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.15 CO[C@H]1COCCC1=O AMY33743 [0,1,0,1,0,0|1,0,1]=4 681 B9R1.15 CO[C@H]1COCC[C@@H]1N AMY35653 [0,1,0,1,0,0|1,0,0]=3 682 B9R1.15 OCC1CCNCC1O AM100522 [0,1,0,1,0,0|1,0,0]=3 683 B9R1.15 OCC1CNCCC1O AM101136 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.22 CN1C[C@H](O)C[C@H]1CO AMY36419 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 AMY34444 [0,1,0,1,0,0|1,0,1]=4 686 B9R1.33 CN1CCC[C@@H]1CCN AMY822 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.33 CN1CCC[C@H]1CCN AMY19244 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.48 CN1CCOC[C@@H](N)C1 AM9793 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.50 NC1CCCCCCC1 AMY14314 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.50 O=C1CCCCCCC1 AMY3996 [0,1,0,1,0,0|1,0,1]=4 691 B9R1.50 OC1CCCCCCC1 AMY39481 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.69 CC1CC(=O)CCC1O AM806654 [0,1,0,1,0,0|1,0,1]=4 693 B9R1.73 N[C@@H](CCO)C1CNC1 AM99393 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.73 OCC[C@H](O)C1CNC1 AM98754 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.134 CC1(CCN)OCCO1 AMY20115 [0,1,0,1,0,0|1,0,0]=3 696 B9R1.14 CO[C@H]1CNC[C@@H]1OC AMY35647 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.14 CO[C@H]1CNC[C@H]1OC AMY35192 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.17 OCCCCC1COC1 AMY32111 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.89 NNC1CCCCCC1 AM9802 [0,1,0,1,0,0|2,0,0]=4 700 B9R1.89 O=CC1CCCCCC1 AMY21681 [0,1,0,1,0,0|1,0,1]=4 701 B9R1.89 OC[C@H]1CCCCNC1 AMY11832 [0,1,0,1,0,0|1,0,0]=3 702 B9R1.89 OC[C@H]1CNCCCO1 AMY20125 [0,1,0,1,0,0|0,0,0]=2 703 B9R1.103 C1CNCCNCCN1 AMY31179 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.103 C1CNCCNCCN1 AMY38506 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.1 CC1CCC(CBr)CC1 AM806102 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.1 CC1CCC(CN)CC1 AM803728 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.1 CC1CCC(CO)CC1 AM9715 [0,1,0,1,0,0|1,0,0]=3 708 B9R1.1 CN1CCC(CO)CC1 AM20090164 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 AMY35195 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.1 NC[C@H]1CC[C@H](O)CC1 AMY34305 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AM84270 [0,1,0,1,0,0|1,0,0]=3 712 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AMY34311 [0,1,0,1,0,0|1,0,0]=3 713 B9R1.1 O=C1CCC(CO)CC1 AMY9066 [0,1,0,1,0,0|1,0,1]=4 714 B9R1.1 O=C1CO[C@@H](CO)CN1 AMY21703 [0,1,0,1,0,0|1,0,1]=4 715 B9R1.1 OCC1CCC(O)CC1 AMY36580 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.1 OC[C@H]1CC[C@H](O)CC1 AM9734 [0,1,0,1,0,0|1,0,0]=3 717 B9R1.3 CC1CNCC(C)C1O AM100736 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.3 CC1COCC(C)C1N AM98454 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.3 CC1COCC(C)C1O AM98424 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.3 CC1COCC(C)C1S AM100002 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.21 OCC1CCC(CO)N1 AMY5557 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.21 OCC1CCC(CO)O1 AMY32262 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.21 OC[C@@H]1CC[C@H](CO)O1 AM84750 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.118 CC1(CN)CCCCC1 AM803830 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.118 NC1(CO)CCOCC1 AM20100686 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.118 NCC1(F)CCCCC1 AM806258 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.118 OCC1(O)CCNCC1 AM101523 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.118 OC[C@]1(O)CCCNC1 AM101344 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.6 CC(C)[C@@H]1CNCCO1 AMY21367 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.6 CC(C)[C@@H]1CNCCO1 AMY21678 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.6 CC(C)[C@@H]1COCCN1 AMY21372 [0,1,0,1,0,0|1,0,0]=3 732 B9R1.6 CC(C)[C@@H]1COCCN1 AMY21385 [0,1,0,1,0,0|1,0,0]=3 733 B9R1.6 CC(C)[C@@H]1COCCN1 AMY21590 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.6 CC(C)[C@H]1CNCCO1 AMY21677 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.6 CC(C)[C@H]1COCCN1 AMY21780 [0,1,0,1,0,0|1,0,0]=3 736 B9R1.6 C[C@H](N)C1CCCCC1 AM804025 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.6 C[C@H](N)C1CCCCC1 AM81440 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.6 C[C@H](N)C1CCCCC1 AM81441 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.6 O=C(O)C1CCCCC1 AM20070525 [0,1,0,1,0,0|1,0,1]=4 740 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20090026 [0,1,0,1,0,0|1,0,1]=4 741 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20100254 [0,1,0,1,0,0|1,0,1]=4 742 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM803674 [0,1,0,1,0,0|1,0,1]=4 743 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM90343 [0,1,0,1,0,0|1,0,1]=4 744 B9R1.6 O=C(O)[C@@H]1CCCCO1 AM20100266 [0,1,0,1,0,0|0,0,1]=3 745 B9R1.6 O=C(O)[C@@H]1CCCCO1 AMY34469 [0,1,0,1,0,0|0,0,1]=3 746 B9R1.6 O=C(O)[C@@H]1CNCCO1 AM20090406 [0,1,0,1,0,0|1,0,1]=4 747 B9R1.6 O=C(O)[C@H]1CCCCO1 AMY34375 [0,1,0,1,0,0|0,0,1]=3 748 B9R1.6 O=C(O)[C@H]1CNCCO1 AMY21768 [0,1,0,1,0,0|1,0,1]=4 749 B9R1.6 OB(O)C1CCCCC1 AM20070527 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.13 C[C@H](N)CC1CCCC1 AM10862 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.13 O=C(O)CC1CCCC1 AMY18728 [0,1,0,1,0,0|1,0,1]=4 752 B9R1.13 O=C(O)CN1CCCC1 AM803802 [0,1,0,1,0,0|1,0,1]=4 753 B9R1.40 CC1(C)COCC[C@@H]1N AMY33653 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.40 C[C@H]1CCNCC1(F)F AMY14700 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.148 C[C@]1(O)CCCNCC1 AM806272 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.148 FC1(F)CCCCCC1 AMY5922 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.148 FC1(F)CCCCNC1 AM806465 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.148 FC1(F)CNCCOC1 AM806227 [0,1,0,1,0,0|2,0,0]=4 759 B9R2.49 C1CC2CCC1CN2 AMY5586 [0,0,0,2,0,0|2,0,0]=4 760 B9R2.49 C1CC2CNC1CO2 AMY34762 [0,0,0,2,0,0|1,0,0]=3 761 B9R2.65 OCC1[C@H]2COC[C@H]12 AMY34304 [0,0,0,2,0,0|2,0,0]=4 762 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 AMY24256 [0,0,0,2,0,0|2,0,0]=4 763 B9R2.68 C1CC2CCC(C1)N2 AMY35137 [0,0,0,2,0,0|2,0,0]=4 764 B9R2.68 C1CC2CNCC1C2 AMY42503 [0,0,0,2,0,0|2,0,0]=4 765 B9R2.68 C1CC2CNCC1O2 AM20100352 [0,0,0,2,0,0|1,0,0]=3 766 B9R2.68 C1CC2COCC1N2 AM85961 [0,0,0,2,0,0|1,0,0]=3 767 B9R2.68 C1CC2CSCC1N2 AMY35827 [0,0,0,2,0,0|1,1,0]=4 768 B9R2.68 C1C[C@@H]2COC[C@H]1N2 AMY36412 [0,0,0,2,0,0|1,0,0]=3 769 B9R2.68 C1C[C@@H]2COC[C@H]1N2 AMY5711 [0,0,0,2,0,0|1,0,0]=3 770 B9R2.174 C1COC2(CC2)CN1 AMY26262 [0,0,0,2,0,0|1,0,0]=3 771 B9R2.174 C1COCC2(CC2)N1 AMY26434 [0,0,0,2,0,0|1,0,0]=3 772 B9R2.39 BrC1CC2CCC1C2 AMY19483 [0,0,0,2,0,0|2,0,0]=4 773 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AMY28609 [0,0,0,2,0,0|2,0,0]=4 774 B9R2.39 OC1CC2CC1CN2 AMY34715 [0,0,0,2,0,0|2,0,0]=4 775 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 AMY35676 [0,0,0,2,0,0|2,0,0]=4 776 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 AMY35669 [0,0,0,2,0,0|2,0,0]=4 777 B9R2.3 C1CC2CNCC2C1 AM804052 [0,0,0,2,0,0|2,0,0]=4 778 B9R2.3 C1CC2CNCC2N1 AM90261 [0,0,0,2,0,0|2,0,0]=4 779 B9R2.3 C1CC2CNCC2O1 AM806530 [0,0,0,2,0,0|1,0,0]=3 780 B9R2.3 C1CC2OCCC2N1 AM806529 [0,0,0,2,0,0|2,0,0]=4 781 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 AMY21341 [0,0,0,2,0,0|2,0,0]=4 782 B9R2.3 C1NCC2COCC12 AM806528 [0,0,0,2,0,0|2,0,0]=4 783 B9R2.3 C1NC[C@@H]2COC[C@H]12 AMY21370 [0,0,0,2,0,0|2,0,0]=4 784 B9R2.3 C1NC[C@@H]2COC[C@H]12 AMY21542 [0,0,0,2,0,0|2,0,0]=4 785 B9R2.173 C1CCC2(C1)CCN2 AM806540 [0,0,0,2,0,0|2,0,0]=4 786 B9R2.173 C1CNC2(C1)CCC2 AMY33886 [0,0,0,2,0,0|2,0,0]=4 787 B9R2.173 C1COC2(C1)CNC2 AM803220 [0,0,0,2,0,0|2,0,0]=4 788 B9R2.173 C1C[C@@]2(CCO2)CN1 AM20020015 [0,0,0,2,0,0|2,0,0]=4 789 B9R2.5 O[C@H]1CNCC12CC2 AMY35008 [0,0,0,2,0,0|1,0,0]=3