0 B6R0.6 BrCCCCCBr AMY11214 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 C#CCNCC#C AMY864 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCOCCO AMY28705 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C=CCCCCBr AM84859 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C=CCCCCO AM20100796 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C=CCNCC=C AMY22157 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C=CCNCC=C AMY25549 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 CCCCCCC AMY22304 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 CCCCCCN AMY21942 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 CCCCNCC AMY3985 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.6 CCOCCCN AMY21920 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 CCOCCCO AM20080058 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.6 COCCCCBr AMY9376 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.6 COCCCCO AM20080057 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 C\C=C\CCCO AMY2616 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.6 ClCCNCCCl AM20100797 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 ClCCOCCCl AMY9389 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 FCCCCCBr AM20100088 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 N#CCCCCCl AM20100537 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 N#CCOCCCl AMY17914 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 NCCCCCN AM61576 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.6 NCCNCCCl AMY10888 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.6 NCCOCCN AMY7556 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.6 NCCOCCO AMY18064 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.6 O=CCCCCCl AMY772 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.6 OCCCCCBr AM20090543 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.6 OCCOCCBr AMY4498 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.6 OCCOCCCl AMY9387 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.2 BrCCCCBr AM20080049 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.2 C#CCCCC AMY1242 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 C=CCCCBr AM20080066 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 C=CCCCO AMY41353 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.2 CCC#CCO AMY1239 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.2 CCCCCBr AMY9378 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.2 CCCCCN AMY21878 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.2 CCCCCS AMY19243 [1,0,0,0,0,0|1,1,0]=3 37 B5R0.2 CCCCNN AMY202003284 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.2 CCCNCC AMY13343 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.2 CNCCCN AM20100546 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.2 COCCCBr AM20090592 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 COCCCCl AMY25654 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.2 COCCCN AMY21871 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.2 COCCCN AMY38449 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.2 COCCCO AM20080231 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 CSCCCCl AMY744 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 ClCCCCI AMY2538 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 ClCCOCCl AMY38249 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.2 N#CCCCBr AMY10438 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 N#CCCCCl AMY40893 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 NCCCCCl AMY15236 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.2 NCCCCN AM20090504 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.2 NCCCCO AMY17788 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.2 OC\C=C\CCl AMY768 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.1 BrCCCCCCBr AMY11215 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.1 C#CCCCCCC AMY25742 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.1 C=CCCCCCCl AM85971 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.1 C=CCCCCCO AMY7500 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.1 ClCCCCCCCl AM84762 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.1 N#CCCCCCBr AMY18606 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.1 N#CCCSCCO AMY25176 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.1 NCCCCCCO AMY18359 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.1 NCCCCCCS AMY32225 [0,1,0,0,0,0|2,1,0]=4 63 B7R0.1 NCCCNCCBr AM20090252 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.1 NCCSSCCN AM20100373 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.1 OCCCCCCBr AMY2822 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.1 OCCCCCCCl AMY25606 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.1 OCCCNCCO AMY15136 [0,1,0,0,0,0|0,0,0]=1 68 B7R0.1 OCCCOCCCl AM806608 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.3 CCOC[C@@H](O)CO AMY318 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.3 C[C@H](CN)CCCN AMY37195 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.4 C=CCNCC(=O)O AMY22559 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.4 CC(C)NCCCO AMY41464 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.4 CCCCC[C@@H](C)O AMY25723 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.4 CCCCC[C@H](C)N AMY3809 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.4 CCCOCC(=O)O AMY4018 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.4 CN(C)CCCCO AMY9644 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.4 C[C@H](O)CNCCO AM807035 [0,1,0,0,0,0|0,0,0]=1 81 B7R0.4 NCCCCC(=O)O AM82459 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.4 NCCCCC(=O)O AMY39227 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.4 O=C(O)CCCCBr AM85660 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.4 O=C(O)CCCCCl AMY40897 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.4 O=C(O)COCCCl AMY28725 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.7 CCCC(=O)CCC AMY3807 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.7 CCCC(N)CCC AMY3864 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.7 CCCC(O)CCC AMY23531 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.7 CCOC(=O)CCO AMY20483 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.7 O=C(CCCl)CCCl AMY9352 [0,1,0,0,0,0|3,0,0]=4 92 B7R1.1 BrCC1CCCC1 AMY6992 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.1 BrCC1OCCO1 AMY39416 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.1 CCC1=NCCO1 AM84318 [0,0,0,1,0,0|1,0,2]=4 99 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.1 ClCC1=NCCN1 AMY745 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.1 N#C[C@@H]1CCCN1 AMY14984 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.1 N#C[C@@H]1CCCN1 AMY34394 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 N#C[C@@H]1CCCN1 AMY35407 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.1 NCC1CCCC1 AM20100430 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.1 NCC1CCCC1 AM804123 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,0,0,1,0,0|1,0,2]=4 119 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,0,0,1,0,0|1,0,2]=4 122 B7R1.1 OCC1CCCC1 AM20090579 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.1 OCC1OCCO1 AMY35660 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,0,0,1,0,0|1,0,0]=2 128 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,0,0,1,0,0|1,0,0]=2 140 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,0,0,1,0,0|1,0,0]=2 152 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.3 C[C@H]1COCCN1 AM803755 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.3 C[C@H]1COCCN1 AM804311 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.3 C[C@H]1COCCN1 AM806455 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.3 N[C@@H]1CNCCN1 AM81376 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,0,1,0,0|1,0,2]=4 178 B7R1.3 O=C1CCCNC1 AM81341 [0,0,0,1,0,0|1,0,2]=4 179 B7R1.3 O=C1CNCCN1 AM20100386 [0,0,0,1,0,0|1,0,2]=4 180 B7R1.3 O=C1CNCCO1 AM62713 [0,0,0,1,0,0|0,0,2]=3 181 B7R1.3 OC1CCNCC1 AM20100322 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.3 OC1CCNCC1 AMY24233 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.3 OC1CCOCC1 AM20090170 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.3 OC1CCSCC1 AMY37357 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,0,0,1,0,0|0,0,0]=1 188 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,0,0,1,0,0|1,0,0]=2 190 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,0,0,1,0,0|1,0,0]=2 192 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,1,0,0|2,1,0]=4 195 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,0,0,1,0,0|1,1,0]=3 196 B7R1.4 CC1CNCC1O AM806548 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.4 F[C@H]1CNC[C@@H]1F AMY23623 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.4 F[C@H]1CNC[C@H]1F AMY34058 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.4 NC1CCCC1N AMY40491 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.4 NC1CCCC1O AMY1026 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.4 NC1COCC1F AMY23754 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.4 NC1COCC1O AM803216 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.4 N[C@@H]1COC[C@@H]1N AMY16787 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.4 N[C@@H]1COC[C@H]1O AMY34430 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.4 N[C@H]1COC[C@@H]1O AMY34415 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,0,0,1,0,0|1,0,0]=2 212 B7R1.4 O[C@H]1CNC[C@@H]1F AMY34432 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.4 O[C@H]1CNC[C@@H]1O AMY19214 [0,0,0,1,0,0|0,0,0]=1 214 B7R1.4 O[C@H]1CNC[C@@H]1O AMY6780 [0,0,0,1,0,0|0,0,0]=1 215 B7R1.4 O[C@H]1CNC[C@H]1F AMY35198 [0,0,0,1,0,0|1,0,0]=2 216 B7R1.4 O[C@H]1CNC[C@H]1O AMY16905 [0,0,0,1,0,0|0,0,0]=1 217 B7R1.4 O[C@H]1COC[C@H]1O AMY16786 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.6 NCCC1CCC1 AMY34747 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.6 NCCN1CCC1 AMY34670 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.6 OCCC1CCC1 AM807009 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.6 OCCC1COC1 AMY19718 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.6 OCCN1CCC1 AM806453 [0,0,0,1,0,0|1,0,0]=2 223 B7R1.6 OCCN1CCC1 AMY37413 [0,0,0,1,0,0|1,0,0]=2 224 B7R1.7 CCOC[C@H]1CO1 AM20100065 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.7 OCC#CC1CC1 AMY34844 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.8 NCC1CCC1F AMY35801 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.24 C1CNCCNC1 AM100887 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.24 C1CNCCOC1 AM20090058 [0,0,0,1,0,0|1,0,0]=2 230 B4R0.2 BrCCCBr AMY25527 [2,0,0,0,0,0|2,0,0]=4 231 B4R0.2 C=CCCO AMY14291 [2,0,0,0,0,0|0,0,2]=4 232 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,1]=4 233 B4R0.2 CC#CCO AMY19259 [2,0,0,0,0,0|0,0,2]=4 234 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,0]=3 235 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.2 CCNCC AMY25752 [2,0,0,0,0,0|0,0,0]=2 237 B4R0.2 CCPCC AMY11725 [2,0,0,0,0,0|0,1,0]=3 238 B4R0.2 CNCC#N AM20090317 [2,0,0,0,0,0|1,0,1]=4 239 B4R0.2 CNCCCl AM803928 [2,0,0,0,0,0|1,0,0]=3 240 B4R0.2 CNCCF AMY202003232 [2,0,0,0,0,0|1,0,0]=3 241 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|0,0,0]=2 242 B4R0.2 COCCCl AMY25739 [2,0,0,0,0,0|2,0,0]=4 243 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|2,0,0]=4 244 B4R0.2 CSCCCl AMY15533 [2,0,0,0,0,0|2,0,0]=4 245 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.2 CSCCO AMY19250 [2,0,0,0,0,0|1,0,0]=3 247 B4R0.2 C\C=C\CO AMY21936 [2,0,0,0,0,0|0,0,2]=4 248 B4R0.2 ClCCCBr AMY40180 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.2 ClCCCCl AMY22013 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.2 ClCCCI AMY25762 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.2 FCCCBr AMY28674 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.2 NCCCBr AM20100225 [2,0,0,0,0,0|2,0,0]=4 253 B4R0.2 NCCCN AMY21886 [2,0,0,0,0,0|2,0,0]=4 254 B4R0.2 NNCCO AM20080045 [2,0,0,0,0,0|1,0,0]=3 255 B4R0.2 OCCCBr AM20100533 [2,0,0,0,0,0|1,0,0]=3 256 B4R0.2 OCCCCl AMY9478 [2,0,0,0,0,0|1,0,0]=3 257 B4R0.2 OCCCF AM1014 [2,0,0,0,0,0|1,0,0]=3 258 B4R0.2 SCCCBr AM806637 [2,0,0,0,0,0|1,1,0]=4 259 B4R0.2 [Li]CCCC AMY14790 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.1 CCNC(=O)CCl AM802871 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.1 COC(=O)CCO AM85845 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.1 C[C@@H](CO)CCO AMY37668 [1,1,0,0,0,0|0,0,0]=2 264 B6R0.1 C[C@H](CN)CCN AMY1782 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.1 C[C@H](CO)CCO AMY37676 [1,1,0,0,0,0|0,0,0]=2 266 B6R0.1 OCC[C@H](O)CO AMY14876 [1,1,0,0,0,0|0,0,0]=2 267 B6R0.1 OCC[C@H](O)CO AMY6061 [1,1,0,0,0,0|0,0,0]=2 268 B6R0.4 CC(=O)NCCN AMY40665 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.4 CC(C)CCCO AMY39142 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.4 CC(C)NCCCl AMY31121 [1,1,0,0,0,0|1,0,0]=3 271 B6R0.4 CC(C)OCCBr AM80879 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.4 CCOCC(Br)Br AMY830 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.4 C[C@H](Br)CCCBr AMY2526 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|0,1,1]=4 278 B8R0.1 CCCC[C@H](N)CCO AM20080107 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.4 CCCCNCCCC AM20100543 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.4 CCCCNCCCC AMY21922 [0,2,0,0,0,0|2,0,0]=4 281 B8R0.4 COCCNCCCO AMY15137 [0,2,0,0,0,0|0,0,0]=2 282 B8R0.4 COCCNCCOC AMY734 [0,2,0,0,0,0|0,0,0]=2 283 B8R0.4 NCCCCCCCO AMY18876 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.4 NCCCCNCCO AMY30916 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.4 NCCCNCCCN AMY14287 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.4 OCCCCCCCBr AM20070667 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.4 OCCCCCCCO AMY22642 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.4 OCCCNCCCO AMY202100020 [0,2,0,0,0,0|0,0,0]=2 289 B8R0.6 C#C[C@@H](O)CCCCC AMY17779 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.6 C#C[C@@H](O)CCCCC AMY20014 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.7 CC(C)NCCCCO AMY10379 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.7 CCCCCCB(O)O AMY30011 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.7 CCCCCCC(=O)O AMY41347 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.7 NCCCCCC(=O)O AM82438 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.7 NCCCCCC(=O)O AMY977 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.7 NCCOCCC(=O)O AMY4548 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.7 O=C(O)CCCCCBr AM20100119 [0,2,0,0,0,0|2,0,0]=4 299 B8R0.7 O=C(O)CCCCCO AM10824 [0,2,0,0,0,0|1,0,0]=3 300 B8R0.7 O=C(O)CCOCCO AMY4563 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.11 CCCCC(CO)CO AMY15528 [0,2,0,0,0,0|2,0,0]=4 302 B8R0.11 CCCC[C@H](CC)CO AMY11009 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.21 O=S(=O)(O)CCCCO AM9862 [0,2,0,0,0,0|2,0,0]=4 304 B8R0.28 CC(O)CNCC(C)O AMY25531 [0,2,0,0,0,0|0,0,0]=2 305 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,1,0,0|1,0,1]=4 307 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.1 C1=COCCC1 AMY39440 [1,0,0,1,0,0|1,0,1]=4 309 B6R1.1 C1CCCCC1 AMY11047 [1,0,0,1,0,0|2,0,0]=4 310 B6R1.1 C1CCNCC1 AMY40816 [1,0,0,1,0,0|1,0,0]=3 311 B6R1.1 C1CCNNC1 AMY19957 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.1 C1CCOCC1 AMY8873 [1,0,0,1,0,0|1,0,0]=3 313 B6R1.1 C1CCONC1 AM804032 [1,0,0,1,0,0|1,0,0]=3 314 B6R1.1 C1CCONC1 AMY42463 [1,0,0,1,0,0|1,0,0]=3 315 B6R1.1 C1CNCOC1 AMY28616 [1,0,0,1,0,0|1,0,0]=3 316 B6R1.1 C1COCCN1 AMY14878 [1,0,0,1,0,0|0,0,0]=2 317 B6R1.1 C1COCCN1 AMY22834 [1,0,0,1,0,0|0,0,0]=2 318 B6R1.1 C1COCCN1 AMY721 [1,0,0,1,0,0|0,0,0]=2 319 B6R1.1 C1COCCO1 AMY33329 [1,0,0,1,0,0|1,0,0]=3 320 B6R1.1 C1CSCCN1 AM807014 [1,0,0,1,0,0|0,1,0]=3 321 B6R1.1 C1CSCCO1 AMY25585 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,1,0,0|2,0,0]=4 323 B6R1.2 Br[C@H]1CCNC1 AM101739 [1,0,0,1,0,0|1,0,0]=3 324 B6R1.2 Br[C@H]1CCNC1 AM101740 [1,0,0,1,0,0|1,0,0]=3 325 B6R1.2 Br[C@H]1CCNC1 AM101781 [1,0,0,1,0,0|1,0,0]=3 326 B6R1.2 Br[C@H]1CCNC1 AM91615 [1,0,0,1,0,0|1,0,0]=3 327 B6R1.2 Br[C@H]1CCNC1 AM96305 [1,0,0,1,0,0|1,0,0]=3 328 B6R1.2 Br[C@H]1CCNC1 AM96372 [1,0,0,1,0,0|1,0,0]=3 329 B6R1.2 Br[C@H]1CCOC1 AM20090126 [1,0,0,1,0,0|2,0,0]=4 330 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,1,0,0|2,0,0]=4 331 B6R1.2 C[C@@H]1CCNC1 AMY37511 [1,0,0,1,0,0|1,0,0]=3 332 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,1,0,0|1,0,0]=3 333 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,1,0,0|1,0,0]=3 334 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,1,0,0|1,0,0]=3 335 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,1,0,0|1,0,0]=3 336 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,1,0,0|1,0,0]=3 337 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,1,0,0|1,0,0]=3 338 B6R1.2 C[C@H]1CCNC1 AM803039 [1,0,0,1,0,0|1,0,0]=3 339 B6R1.2 C[C@H]1CCNC1 AM803735 [1,0,0,1,0,0|1,0,0]=3 340 B6R1.2 C[C@H]1CCNC1 AMY37562 [1,0,0,1,0,0|1,0,0]=3 341 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,1,0,0|2,0,0]=4 342 B6R1.2 Cl[C@H]1CCNC1 AM90551 [1,0,0,1,0,0|1,0,0]=3 343 B6R1.2 Cl[C@H]1CCNC1 AM90553 [1,0,0,1,0,0|1,0,0]=3 344 B6R1.2 Cl[C@H]1CCNC1 AM90576 [1,0,0,1,0,0|1,0,0]=3 345 B6R1.2 Cl[C@H]1CCNC1 AM90577 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.2 Cl[C@H]1CCNC1 AM91617 [1,0,0,1,0,0|1,0,0]=3 347 B6R1.2 Cl[C@H]1CCNC1 AM96290 [1,0,0,1,0,0|1,0,0]=3 348 B6R1.2 Cl[C@H]1CCOC1 AM100455 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.2 F[C@H]1CCNC1 AM20080115 [1,0,0,1,0,0|1,0,0]=3 350 B6R1.2 F[C@H]1CCNC1 AM20080270 [1,0,0,1,0,0|1,0,0]=3 351 B6R1.2 F[C@H]1CCNC1 AM20080271 [1,0,0,1,0,0|1,0,0]=3 352 B6R1.2 F[C@H]1CCNC1 AM20090020 [1,0,0,1,0,0|1,0,0]=3 353 B6R1.2 F[C@H]1CCNC1 AMY41754 [1,0,0,1,0,0|1,0,0]=3 354 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,1,0,0|2,0,0]=4 355 B6R1.2 I[C@H]1CCNC1 AM91594 [1,0,0,1,0,0|1,0,0]=3 356 B6R1.2 I[C@H]1CCNC1 AM91619 [1,0,0,1,0,0|1,0,0]=3 357 B6R1.2 I[C@H]1CCNC1 AM91621 [1,0,0,1,0,0|1,0,0]=3 358 B6R1.2 I[C@H]1CCNC1 AM92136 [1,0,0,1,0,0|1,0,0]=3 359 B6R1.2 I[C@H]1CCNC1 AM95453 [1,0,0,1,0,0|1,0,0]=3 360 B6R1.2 I[C@H]1CCNC1 AM96429 [1,0,0,1,0,0|1,0,0]=3 361 B6R1.2 I[C@H]1CCOC1 AM20080159 [1,0,0,1,0,0|2,0,0]=4 362 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,1,0,0|2,0,0]=4 363 B6R1.2 N[C@@H]1CCCN1 AMY9118 [1,0,0,1,0,0|2,0,0]=4 364 B6R1.2 N[C@H]1CCNC1 AM81992 [1,0,0,1,0,0|1,0,0]=3 365 B6R1.2 N[C@H]1CCNC1 AM81993 [1,0,0,1,0,0|1,0,0]=3 366 B6R1.2 N[C@H]1CCNC1 AM85320 [1,0,0,1,0,0|1,0,0]=3 367 B6R1.2 N[C@H]1CCOC1 AM20080063 [1,0,0,1,0,0|2,0,0]=4 368 B6R1.2 N[C@H]1CCOC1 AM20120276 [1,0,0,1,0,0|2,0,0]=4 369 B6R1.2 N[C@H]1CCOC1 AM62692 [1,0,0,1,0,0|2,0,0]=4 370 B6R1.2 N[C@H]1CCOC1 AMY4352 [1,0,0,1,0,0|2,0,0]=4 371 B6R1.2 N[C@H]1CCOC1 AMY5964 [1,0,0,1,0,0|2,0,0]=4 372 B6R1.2 O=C1CCNC1 AM20120384 [1,0,0,1,0,0|0,0,2]=4 373 B6R1.2 O=C1CCNC1 AMY6183 [1,0,0,1,0,0|0,0,2]=4 374 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,1,0,0|0,0,2]=4 375 B6R1.2 OC1CC=CC1 AMY9178 [1,0,0,1,0,0|1,0,1]=4 376 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,1,0,0|1,0,0]=3 377 B6R1.2 O[C@@H]1CCCO1 AMY20193 [1,0,0,1,0,0|0,0,0]=2 378 B6R1.2 O[C@@H]1CCNO1 AMY37646 [1,0,0,1,0,0|1,0,0]=3 379 B6R1.2 O[C@H]1CCNC1 AM20070695 [1,0,0,1,0,0|0,0,0]=2 380 B6R1.2 O[C@H]1CCNC1 AM20080166 [1,0,0,1,0,0|0,0,0]=2 381 B6R1.2 O[C@H]1CCNC1 AM20090354 [1,0,0,1,0,0|0,0,0]=2 382 B6R1.2 O[C@H]1CCNC1 AM20100082 [1,0,0,1,0,0|0,0,0]=2 383 B6R1.2 O[C@H]1CCNC1 AM90404 [1,0,0,1,0,0|0,0,0]=2 384 B6R1.2 O[C@H]1CCNO1 AMY37647 [1,0,0,1,0,0|1,0,0]=3 385 B6R1.2 O[C@H]1CCOC1 AM20100156 [1,0,0,1,0,0|1,0,0]=3 386 B6R1.2 O[C@H]1CCOC1 AM20110236 [1,0,0,1,0,0|1,0,0]=3 387 B6R1.2 O[C@H]1CCOC1 AM20110237 [1,0,0,1,0,0|1,0,0]=3 388 B6R1.2 O[C@H]1CCSC1 AM20090505 [1,0,0,1,0,0|1,0,0]=3 389 B6R1.2 S[C@H]1CCOC1 AM101772 [1,0,0,1,0,0|1,1,0]=4 390 B6R1.3 BrCCC1CC1 AMY202003230 [1,0,0,1,0,0|2,0,0]=4 391 B6R1.3 BrCC[C@H]1CO1 AMY20094 [1,0,0,1,0,0|1,0,0]=3 392 B6R1.3 COC[C@H]1CO1 AM20120337 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.3 ICCC1CC1 AMY34362 [1,0,0,1,0,0|2,0,0]=4 394 B6R1.3 NCCC1CC1 AMY39140 [1,0,0,1,0,0|2,0,0]=4 395 B6R1.3 NCCC1CC1 AMY4139 [1,0,0,1,0,0|2,0,0]=4 396 B6R1.3 OCCC1CC1 AMY3915 [1,0,0,1,0,0|1,0,0]=3 397 B6R1.6 BrCC1CCC1 AM20070598 [1,0,0,1,0,0|2,0,0]=4 398 B6R1.6 BrC[C@H]1CCO1 AM20020056 [1,0,0,1,0,0|1,0,0]=3 399 B6R1.6 ClCC1CCC1 AMY31015 [1,0,0,1,0,0|2,0,0]=4 400 B6R1.6 ClC[C@H]1CCO1 AM807017 [1,0,0,1,0,0|1,0,0]=3 401 B6R1.6 ICC1CCC1 AMY34464 [1,0,0,1,0,0|2,0,0]=4 402 B6R1.6 IC[C@H]1CCO1 AM20020012 [1,0,0,1,0,0|1,0,0]=3 403 B6R1.6 N#C[C@H]1CCN1 AMY35836 [1,0,0,1,0,0|1,0,1]=4 404 B6R1.6 NCC1CCC1 AM20070613 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.6 NC[C@H]1CCN1 AM20070687 [1,0,0,1,0,0|1,0,0]=3 406 B6R1.6 NC[C@H]1CCO1 AM20020052 [1,0,0,1,0,0|1,0,0]=3 407 B6R1.6 OCC1CCC1 AM90211 [1,0,0,1,0,0|1,0,0]=3 408 B6R1.6 OCC1CNC1 AM20120333 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.6 OCC1CNC1 AMY6173 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.6 OCC1COC1 AM806983 [1,0,0,1,0,0|2,0,0]=4 411 B6R1.6 OC[C@H]1CCO1 AM807004 [1,0,0,1,0,0|0,0,0]=2 412 B6R1.8 CC1CC1CN AM806562 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.8 CC1CC1CO AM804126 [1,0,0,1,0,0|1,0,0]=3 414 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [1,0,0,1,0,0|1,0,0]=3 415 B8R1.2 BrC[C@H]1CCCCN1 AM100687 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.2 BrC[C@H]1CCCCN1 AM100794 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.2 BrC[C@H]1CCCNC1 AM90414 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.2 BrC[C@H]1CCCNC1 AM94088 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.2 BrC[C@H]1CNCCN1 AM81377 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.2 C#C[C@H]1CCCNC1 AMY4285 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.2 CC[C@@H]1COCCN1 AMY21373 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.2 CC[C@@H]1COCCN1 AMY21630 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.2 CC[C@H]1CNCCN1 AM81358 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.2 CC[C@H]1COCCN1 AMY21416 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.2 CC[C@H]1COCCN1 AMY21733 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.2 CN[C@H]1CCCNC1 AM100275 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.2 CN[C@H]1CCCNC1 AM10560 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.2 CN[C@H]1CCCNC1 AMY18447 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.2 CO[C@H]1CCCNC1 AM101090 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.2 CO[C@H]1CCCNC1 AM101144 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.2 CO[C@H]1CCCNC1 AM101293 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.2 CO[C@H]1CCCNC1 AM10535 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.2 ClCC1OCCCO1 AM81012 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.2 ClC[C@@H]1CNCCO1 AM807060 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.2 ClC[C@H]1CCCCN1 AM100578 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.2 ClC[C@H]1CCCCN1 AM100956 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.2 ClC[C@H]1CCCNC1 AM100526 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.2 ClC[C@H]1CCCNC1 AM100760 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.2 ClC[C@H]1CNCCO1 AM807061 [0,1,0,1,0,0|1,0,0]=3 445 B8R1.2 IC[C@H]1CCCCN1 AM94351 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.2 IC[C@H]1CCCNC1 AM91471 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.2 IC[C@H]1CCCNC1 AM94672 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.2 N#C[C@@H]1CCCNC1 AMY34413 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.2 N#C[C@@H]1CNCCN1 AM803423 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.2 N#C[C@H]1CCCNC1 AM804318 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.2 NC[C@H]1CCCCN1 AMY3381 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.2 NC[C@H]1CCCNC1 AMY11508 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.2 NC[C@H]1CNCCO1 AM20080111 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.2 NC[C@H]1COCCO1 AM20120267 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.2 NN[C@H]1CCCNC1 AM9839 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.2 NOC1CCCCC1 AMY27644 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.2 O=C[C@@H]1CNCCN1 AM81379 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.2 OCC1CCCCC1 AM20070443 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.2 OCC1CCNCC1 AM20100583 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.2 OCC1CCOCC1 AM20080366 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.2 OCC1CCSCC1 AMY3090 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [0,1,0,1,0,0|0,0,0]=2 468 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [0,1,0,1,0,0|0,0,0]=2 469 B8R1.2 OC[C@@H]1COCCN1 AMY1881 [0,1,0,1,0,0|0,0,0]=2 470 B8R1.2 OC[C@@H]1COCCN1 AMY2068 [0,1,0,1,0,0|0,0,0]=2 471 B8R1.2 OC[C@H]1CCC=CO1 AMY22788 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.2 OC[C@H]1CNCCN1 AM81378 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.2 OC[C@H]1CNCCN1 AMY14670 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [0,1,0,1,0,0|0,0,0]=2 479 B8R1.2 OC[C@H]1CNCCO1 AM802856 [0,1,0,1,0,0|0,0,0]=2 480 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [0,1,0,1,0,0|0,0,0]=2 481 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [0,1,0,1,0,0|0,0,0]=2 482 B8R1.2 OC[C@H]1COCCN1 AM20080017 [0,1,0,1,0,0|0,0,0]=2 483 B8R1.2 OC[C@H]1COCCN1 AMY1905 [0,1,0,1,0,0|0,0,0]=2 484 B8R1.2 OC[C@H]1COCCN1 AMY22661 [0,1,0,1,0,0|0,0,0]=2 485 B8R1.2 OC[C@H]1COCCN1 AMY25047 [0,1,0,1,0,0|0,0,0]=2 486 B8R1.2 OC[C@H]1COCCO1 AMY6751 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.5 CC1CCCNC1C AM81284 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.5 CC1CNCCC1O AM10443 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.5 CC1CNCCC1O AM803717 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.5 CC1COCCC1O AM101521 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.5 C[C@@H]1CNCCN1C AMY32368 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.5 C[C@@H]1CNCCN1C AMY34366 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,1,0,0|1,0,1]=4 494 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.5 C[C@H]1CNCCN1C AMY34386 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.5 C[C@H]1CNCCN1C AMY39146 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.5 NC1CCCCC1O AMY1039 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.5 N[C@@H]1CCOC[C@@H]1O AMY35197 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16937 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16938 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16933 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16934 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16939 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16940 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.5 N[C@H]1CCOC[C@H]1O AMY35749 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.5 N[C@H]1COCC[C@@H]1O AMY16887 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.5 N[C@H]1COCC[C@H]1O AMY35193 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.5 OC1CCNCC1O AMY19280 [0,1,0,1,0,0|0,0,0]=2 519 B8R1.5 OC1CCOCC1F AMY34852 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.5 O[C@H]1CCNC[C@H]1F AMY14765 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.5 O[C@H]1CCOC[C@@H]1F AMY35862 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.5 O[C@H]1CNCC[C@H]1O AMY34059 [0,1,0,1,0,0|0,0,0]=2 524 B8R1.8 BrCCC1OCCO1 AM20090095 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.8 CNC[C@H]1CCCN1 AM91671 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.8 COC[C@H]1CCCN1 AM101258 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.8 COC[C@H]1CCCN1 AM20100559 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.8 COC[C@H]1CCCN1 AM81456 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.8 COC[C@H]1CCCN1 AM91166 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.8 ClCCN1CCCC1 AMY4094 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.8 NCCN1CCCC1 AMY9353 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.8 OCCC1CCCC1 AMY18681 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.8 OCCN1CCCC1 AM20090391 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.8 OCC[C@H]1CCCN1 AMY23861 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.8 OCC[C@H]1CCNC1 AM100067 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.8 OCC[C@H]1CCNC1 AM100173 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.8 OCC[C@H]1CCNC1 AM20120341 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.8 SCCN1CCCC1 AM20100120 [0,1,0,1,0,0|1,1,0]=4 540 B8R1.10 OCCCC1COC1 AMY19719 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.10 OCCCN1CCC1 AMY37454 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.11 C#CC1CCCC1O AMY20186 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.11 CN1CCC[C@@H]1CBr AM101006 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.11 CN1CCC[C@@H]1CBr AM101207 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.11 CN1CCC[C@@H]1CCl AM100987 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.11 CN1CCC[C@@H]1CCl AM97531 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.11 CN1CCC[C@@H]1CI AM100992 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.11 CN1CCC[C@@H]1CI AM96163 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.11 CN1CCC[C@@H]1CN AM100590 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.11 CN1CCC[C@@H]1CN AM101111 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.11 CO[C@H]1CNC[C@@H]1O AMY35656 [0,1,0,1,0,0|0,0,0]=2 554 B8R1.11 NC[C@H]1COC[C@@H]1O AMY35772 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.22 CN1CCCNCC1 AMY31990 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.22 C[C@H]1CCCNCC1 AM803851 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.22 C[C@H]1CCNCCN1 AMY38552 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.22 C[C@H]1CNCCCN1 AMY15712 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.22 FC1CNCCNC1 AM90251 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.22 F[C@H]1CCCCNC1 AM806514 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.22 F[C@H]1CCCNCC1 AM806515 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.22 F[C@H]1CCCNCC1 AMY34974 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.22 N[C@@H]1CCCCNC1 AMY3810 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.22 N[C@H]1CCCCNC1 AM20100642 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.22 N[C@H]1CCCCNC1 AM9633 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.22 O=C1CCCNCC1 AM20100232 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.22 O=C1CCNCCN1 AM20090172 [0,1,0,1,0,0|1,0,1]=4 569 B8R1.22 O=C1CCNCCN1 AM85736 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.22 OC1CNCCNC1 AM90255 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.36 CCCNCC1CC1 AMY2642 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.49 C1CNCCCNC1 AMY15750 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 AMY202003270 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY13628 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY202003269 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.1 OC[C@H]1C[C@H](F)CN1 AMY202003253 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.3 CC1CNC(C)CN1 AM81374 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 AM807027 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AMY21745 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.3 C[C@H]1CN[C@H](C)CN1 AM20090356 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.3 C[C@H]1CN[C@H](C)CO1 AMY202003216 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.3 C[C@H]1CO[C@H](C)CN1 AMY202003196 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.3 NC1CCC(O)CC1 AMY6164 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AM62718 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AMY35196 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070547 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070555 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.3 OC1COC(O)CO1 AM20090246 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.3 OC1CSC(O)CS1 AMY24076 [0,1,0,1,0,0|1,1,0]=4 599 B8R1.38 N[C@@H](CO)C1CCC1 AM9072 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.47 OCC1CC(CO)C1 AM85953 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.47 OC[C@@H]1C[C@H](CO)N1 AMY32372 [0,1,0,1,0,0|0,0,0]=2 602 B8R1.47 OC[C@H]1C[C@H](CO)C1 AM85911 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.50 C[C@@H]1NC[C@H](O)[C@H]1O AMY19209 [0,1,0,1,0,0|0,0,0]=2 604 B8R1.52 C[C@@]1(CO)CCCN1 AMY34479 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.52 C[C@]1(CN)CCCO1 AM20100681 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.52 C[C@]1(CO)CCCN1 AMY34476 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.52 NC1(CO)CCCC1 AMY38194 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.4 CC1CNCC(C)C1 AMY3386 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.4 CC1CNCC(C)N1 AM81382 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.4 CN1CCC[C@H](Br)C1 AM100732 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.4 CN1CCC[C@H](Br)C1 AM96149 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.4 CN1CCC[C@H](Br)C1 AM96336 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.4 CN1CCC[C@H](Cl)C1 AM100541 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.4 CN1CCC[C@H](Cl)C1 AM95149 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.4 CN1CCC[C@H](Cl)C1 AM96246 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.4 CN1CCC[C@H](I)C1 AM92117 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.4 CN1CCC[C@H](I)C1 AM96657 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.4 CN1CCC[C@H](I)C1 AM96719 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.4 CN1CCC[C@H](N)C1 AM100811 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.4 CN1CCC[C@H](N)C1 AM101540 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.4 CN1CCC[C@H](N)C1 AM20070636 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.4 CN1CCC[C@H](N)C1 AM20120292 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.4 C[C@@H]1CN(C)CCN1 AMY38520 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21610 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21742 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AMY19631 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.4 C[C@H]1CN(C)CCN1 AM100533 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.4 C[C@H]1CN(C)CCN1 AMY24173 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.4 C[C@H]1CN(C)CCN1 AMY5825 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AM81381 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AM20100586 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.4 C[C@H]1CNC[C@H](C)N1 AMY21737 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.4 C[C@H]1CNC[C@H](C)O1 AMY202003227 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.4 ClC1CNCC(Cl)N1 AM81375 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.4 NC1CCCC(O)C1 AM20070553 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AMY35651 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90249 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90265 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.4 N[C@H]1CCC[C@@H](O)C1 AMY37601 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90267 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90268 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.7 CC(C)[C@H]1CCCN1 AMY34369 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [0,1,0,1,0,0|1,0,1]=4 654 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [0,1,0,1,0,0|1,0,1]=4 655 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.7 O=C(O)[C@H]1NCCS1 AM20100589 [0,1,0,1,0,0|0,1,1]=4 660 B8R1.19 C[C@H]1CNCC1(F)F AMY14704 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.19 O[C@H]1CNCC1(F)F AMY35764 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.34 O=C(O)CN1CCC1 AMY21704 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.72 CC1(C)CCCNC1 AMY42566 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.72 CC1(C)CNCCN1 AM20110209 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.72 CC1(C)CNCCO1 AM20080363 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.72 CC1(C)CNCCO1 AMY34686 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.72 CC1(O)CCCCC1 AMY25717 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.72 C[C@]1(O)CCCNC1 AM20100188 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.72 FC1(F)CCCNC1 AM20100211 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.66 NC1(CCO)CCC1 AMY34656 [0,1,0,1,0,0|2,0,0]=4 671 B8R2.22 C1CC2CNCC12 AM806556 [0,0,0,2,0,0|2,0,0]=4 672 B8R2.22 C1NC2COCC12 AM806551 [0,0,0,2,0,0|1,0,0]=3 673 B8R2.34 C1CC2CC1CN2 AMY6354 [0,0,0,2,0,0|2,0,0]=4 674 B8R2.34 C1CC2CCC1N2 AM20070524 [0,0,0,2,0,0|2,0,0]=4 675 B8R2.34 C1CC2CCC1N2 AMY11781 [0,0,0,2,0,0|2,0,0]=4 676 B8R2.34 C1OC2CNC1C2 AMY33619 [0,0,0,2,0,0|1,0,0]=3 677 B8R2.34 C1O[C@@H]2CN[C@H]1C2 AM20120312 [0,0,0,2,0,0|1,0,0]=3 678 B8R2.34 C1O[C@H]2CN[C@@H]1C2 AMY202003237 [0,0,0,2,0,0|1,0,0]=3 679 B8R2.55 C1CNC2(C1)CC2 AMY33805 [0,0,0,2,0,0|2,0,0]=4 680 B8R2.18 OC1CC2CC2C1 AMY26501 [0,0,0,2,0,0|2,0,0]=4 681 B8R2.23 C1NCC2CC1C2 AMY26080 [0,0,0,2,0,0|2,0,0]=4 682 B8R2.23 C1NCC2CC1O2 AM10861 [0,0,0,2,0,0|1,0,0]=3 683 B8R2.23 C1NCC2CC1O2 AMY12205 [0,0,0,2,0,0|1,0,0]=3 684 B8R2.25 C1CC2OC2CO1 AMY11235 [0,0,0,2,0,0|2,0,0]=4 685 B8R2.24 C1CC1NC2CC2 AMY7515 [0,0,0,2,0,0|2,0,0]=4