0 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.3 BrC1CCNCC1 AM101554 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 BrC1CCNCC1 AM20100339 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 BrC1CCNCC1 AM90402 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 BrC1CCOCC1 AM90079 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,0,0,0,0,0|1,0,3]=4 6 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.3 C=C1CCCCC1 AMY736 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.3 C=C1CCCOC1 AMY6008 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 C=C1CCNCC1 AMY5962 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 C=C1CCNCC1 AMY6101 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 C=C1CCNCC1 AMY6167 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 C=C1CCOCC1 AMY34984 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 CC1=CCNCC1 AMY33784 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.3 CC1=CCOCC1 AMY5953 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.3 CC1CCNCC1 AMY23280 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.3 CC1CCOCC1 AMY6168 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.3 CC1SCCCS1 AMY24701 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.3 CN1CCCCC1 AM20100531 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 CN1CCNCC1 AM81360 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 CN1CCOCC1 AMY14818 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,0,0,0|2,0,1]=3 28 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.3 C[C@H]1COCCN1 AM803755 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.3 C[C@H]1COCCN1 AM804311 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.3 C[C@H]1COCCN1 AM806455 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,0,0,0|1,0,1]=2 44 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,0,0,0|1,0,1]=2 45 B7R1.3 ClC1CCNCC1 AM100920 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.3 ClC1CCNCC1 AM20100323 [0,0,0,0,0,0|2,0,1]=3 47 B7R1.3 ClC1CCOCC1 AM794 [0,0,0,0,0,0|2,0,1]=3 48 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [0,0,0,0,0,0|1,0,3]=4 49 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,0,0,0,0,0|2,0,1]=3 50 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,0,0,0,0,0|2,0,1]=3 51 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,0,0,0,0,0|2,0,1]=3 52 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,0,0,0,0,0|2,0,1]=3 53 B7R1.3 FC1CCNCC1 AM20100405 [0,0,0,0,0,0|2,0,1]=3 54 B7R1.3 FC1CCOCC1 AM100580 [0,0,0,0,0,0|2,0,1]=3 55 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,0,0,0,0,0|2,0,1]=3 56 B7R1.3 IC1CCNCC1 AM101380 [0,0,0,0,0,0|2,0,1]=3 57 B7R1.3 IC1CCNCC1 AM94352 [0,0,0,0,0,0|2,0,1]=3 58 B7R1.3 IC1CCOCC1 AM20090312 [0,0,0,0,0,0|2,0,1]=3 59 B7R1.3 NC1=NCCCN1 AMY15652 [0,0,0,0,0,0|3,0,0]=3 60 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,0,0,0|1,0,1]=2 61 B7R1.3 NC1CCNCC1 AM85323 [0,0,0,0,0,0|2,0,1]=3 62 B7R1.3 NC1CCNCC1 AM85335 [0,0,0,0,0,0|2,0,1]=3 63 B7R1.3 NC1CCOCC1 AM20090495 [0,0,0,0,0,0|2,0,1]=3 64 B7R1.3 NC1CCOCC1 AM20100013 [0,0,0,0,0,0|2,0,1]=3 65 B7R1.3 NC1CCOCC1 AM669 [0,0,0,0,0,0|2,0,1]=3 66 B7R1.3 NC1CCSCC1 AMY32230 [0,0,0,0,0,0|2,0,1]=3 67 B7R1.3 NC1CCSCC1 AMY3238 [0,0,0,0,0,0|2,0,1]=3 68 B7R1.3 NN1CCCCC1 AM85332 [0,0,0,0,0,0|2,0,0]=2 69 B7R1.3 NN1CCCCC1 AM85348 [0,0,0,0,0,0|2,0,0]=2 70 B7R1.3 NN1CCNCC1 AM20090429 [0,0,0,0,0,0|3,0,0]=3 71 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,0,0,0,0,0|2,0,1]=3 72 B7R1.3 N[C@@H]1CNCCN1 AM81376 [0,0,0,0,0,0|3,0,1]=4 73 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,0,0,0,0,0|2,0,1]=3 74 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,0,0,0,0,0|2,0,1]=3 75 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,0,0,0,0,0|2,0,1]=3 76 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,0,0,0,0,0|2,0,1]=3 77 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,0,0,0,0,0|2,0,1]=3 78 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,0,0,0,0,0|2,0,1]=3 79 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,0,0,0,0,0|2,0,1]=3 80 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,0,0,0,0,0|2,0,1]=3 81 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,0,0,0,0,0|2,0,1]=3 82 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,0,0,0,0|1,0,2]=3 83 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,0,0,0,0|1,0,2]=3 84 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,0,0,0,0|1,0,0]=1 85 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,0,0,0,0|1,0,0]=1 86 B7R1.3 O=C1CCCNC1 AM81341 [0,0,0,0,0,0|1,0,0]=1 87 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,0,0,0,0|1,0,0]=1 88 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,0,0,0,0|1,0,0]=1 89 B7R1.3 O=C1CCNCC1 AM100807 [0,0,0,0,0,0|1,0,0]=1 90 B7R1.3 O=C1CCNCC1 AM20100060 [0,0,0,0,0,0|1,0,0]=1 91 B7R1.3 O=C1CCNCC1 AM803879 [0,0,0,0,0,0|1,0,0]=1 92 B7R1.3 O=C1CCOCC1 AM20090400 [0,0,0,0,0,0|1,0,0]=1 93 B7R1.3 O=C1CCSCC1 AM20080026 [0,0,0,0,0,0|1,0,0]=1 94 B7R1.3 O=C1CNCCN1 AM20100386 [0,0,0,0,0,0|2,0,0]=2 95 B7R1.3 O=C1CNCCO1 AM62713 [0,0,0,0,0,0|2,0,0]=2 96 B7R1.3 O=C1COCCN1 AM20080044 [0,0,0,0,0,0|2,0,0]=2 97 B7R1.3 O=C1CSCCN1 AMY10805 [0,0,0,0,0,0|2,0,0]=2 98 B7R1.3 O=C1NCCCN1 AM90187 [0,0,0,0,0,0|2,0,0]=2 99 B7R1.3 O=C1NCCCO1 AMY19041 [0,0,0,0,0,0|2,0,0]=2 100 B7R1.3 O=S1CCOCC1 AMY42358 [0,0,0,0,0,0|2,0,0]=2 101 B7R1.3 OC1CCNCC1 AM20100322 [0,0,0,0,0,0|1,0,2]=3 102 B7R1.3 OC1CCNCC1 AMY24233 [0,0,0,0,0,0|1,0,2]=3 103 B7R1.3 OC1CCOCC1 AM20090170 [0,0,0,0,0,0|1,0,2]=3 104 B7R1.3 OC1CCSCC1 AMY37357 [0,0,0,0,0,0|1,0,2]=3 105 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,0,0,0,0,0|0,0,4]=4 106 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,0,0,0,0,0|1,0,2]=3 107 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,0,0,0,0,0|2,0,2]=4 108 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,0,0,0,0,0|1,0,2]=3 109 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,0,0,0,0,0|1,0,2]=3 110 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,0,0,0,0,0|1,0,2]=3 111 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,0,0,0,0,0|1,0,2]=3 112 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,0,0,0,0,0|1,0,2]=3 113 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,0,0,0,0,0|1,0,2]=3 114 B7R1.3 S=C1COCCN1 AMY10049 [0,0,0,0,0,0|2,1,0]=3 115 B7R1.3 SC1=NCCCN1 AMY7063 [0,0,0,0,0,0|2,1,0]=3 116 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,0,0,0|0,1,1]=2 117 B7R1.3 SC1CCOCC1 AM100476 [0,0,0,0,0,0|1,1,1]=3 118 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,0,0,0,0,0|1,1,1]=3 119 B6R1.1 C1=CCC=CC1 AM20100536 [1,0,0,0,0,0|0,0,3]=4 120 B6R1.1 C1=CCCC=C1 AM806998 [1,0,0,0,0,0|0,0,3]=4 121 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,0,0,0|0,0,1]=2 122 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,0,0,0|1,0,1]=3 123 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,0,0,0|1,0,1]=3 124 B6R1.1 C1=CCSCC1 AMY37369 [1,0,0,0,0,0|1,0,1]=3 125 B6R1.1 C1=COCCC1 AMY39440 [1,0,0,0,0,0|1,0,1]=3 126 B6R1.1 C1=NCCCN1 AMY22014 [1,0,0,0,0,0|2,0,0]=3 127 B6R1.1 C1CCCCC1 AMY11047 [1,0,0,0,0,0|0,0,1]=2 128 B6R1.1 C1CCNCC1 AMY40816 [1,0,0,0,0,0|1,0,0]=2 129 B6R1.1 C1CCNNC1 AMY19957 [1,0,0,0,0,0|2,0,0]=3 130 B6R1.1 C1CCOCC1 AMY8873 [1,0,0,0,0,0|1,0,0]=2 131 B6R1.1 C1CCONC1 AM804032 [1,0,0,0,0,0|2,0,0]=3 132 B6R1.1 C1CCONC1 AMY42463 [1,0,0,0,0,0|2,0,0]=3 133 B6R1.1 C1CNCOC1 AMY28616 [1,0,0,0,0,0|2,0,0]=3 134 B6R1.1 C1COCCN1 AMY14878 [1,0,0,0,0,0|2,0,0]=3 135 B6R1.1 C1COCCN1 AMY22834 [1,0,0,0,0,0|2,0,0]=3 136 B6R1.1 C1COCCN1 AMY721 [1,0,0,0,0,0|2,0,0]=3 137 B6R1.1 C1COCCO1 AMY33329 [1,0,0,0,0,0|2,0,0]=3 138 B6R1.1 C1CSCCN1 AM807014 [1,0,0,0,0,0|2,0,0]=3 139 B6R1.1 C1CSCCO1 AMY25585 [1,0,0,0,0,0|2,0,0]=3 140 B8R1.2 BrCC1CCCCC1 AM83288 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.2 BrCC1CCNCC1 AM101156 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.2 BrCC1CCNCC1 AM90776 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.2 BrCC1CCNCC1 AMY20339 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.2 BrCC1CCOCC1 AM20080196 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.2 BrC[C@H]1CCCCN1 AM100687 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.2 BrC[C@H]1CCCCN1 AM100794 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.2 BrC[C@H]1CCCNC1 AM90414 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.2 BrC[C@H]1CCCNC1 AM94088 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,1,0,0,0,0|2,0,1]=4 150 B8R1.2 C#CC1CCCCC1 AMY1266 [0,1,0,0,0,0|1,0,1]=3 151 B8R1.2 C#CC1CCNCC1 AMY33844 [0,1,0,0,0,0|2,0,1]=4 152 B8R1.2 C#CC1CCOCC1 AM20080147 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.2 C#C[C@H]1CCCNC1 AMY4285 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.2 CC=C1CCOCC1 AMY6099 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.2 CCC1CCNCC1 AM803694 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.2 CCN1CCCCC1 AMY23165 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.2 CCN1CCNCC1 AM81362 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.2 CNC1CCCCC1 AM802809 [0,1,0,0,0,0|1,0,1]=3 159 B8R1.2 CNC1CCNCC1 AM20100166 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.2 CNC1CCNCC1 AM98000 [0,1,0,0,0,0|2,0,1]=4 161 B8R1.2 CNC1CCNCC1 AMY3391 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.2 CNC1CCOCC1 AM20090215 [0,1,0,0,0,0|2,0,1]=4 163 B8R1.2 CN[C@H]1CCCNC1 AM100275 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.2 CN[C@H]1CCCNC1 AM10560 [0,1,0,0,0,0|2,0,1]=4 165 B8R1.2 CN[C@H]1CCCNC1 AMY18447 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.2 COC1=CCOCC1 AMY33855 [0,1,0,0,0,0|1,0,2]=4 167 B8R1.2 COC1CCNCC1 AM20100080 [0,1,0,0,0,0|1,0,2]=4 168 B8R1.2 COC1CCNCC1 AM9912 [0,1,0,0,0,0|1,0,2]=4 169 B8R1.2 CO[C@H]1CCCNC1 AM101090 [0,1,0,0,0,0|1,0,2]=4 170 B8R1.2 CO[C@H]1CCCNC1 AM101144 [0,1,0,0,0,0|1,0,2]=4 171 B8R1.2 CO[C@H]1CCCNC1 AM101293 [0,1,0,0,0,0|1,0,2]=4 172 B8R1.2 CO[C@H]1CCCNC1 AM10535 [0,1,0,0,0,0|1,0,2]=4 173 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [0,1,0,0,0,0|1,0,2]=4 174 B8R1.2 CSC1=NCCCN1 AMY7072 [0,1,0,0,0,0|2,1,0]=4 175 B8R1.2 CSC1CCNCC1 AM20090171 [0,1,0,0,0,0|1,1,1]=4 176 B8R1.2 ClCC1CCNCC1 AM100418 [0,1,0,0,0,0|2,0,1]=4 177 B8R1.2 ClCC1CCNCC1 AM100986 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.2 ClCN1CCOCC1 AM85613 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.2 ClC[C@H]1CCCCN1 AM100578 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.2 ClC[C@H]1CCCCN1 AM100956 [0,1,0,0,0,0|2,0,1]=4 181 B8R1.2 ClC[C@H]1CCCNC1 AM100526 [0,1,0,0,0,0|2,0,1]=4 182 B8R1.2 ClC[C@H]1CCCNC1 AM100760 [0,1,0,0,0,0|2,0,1]=4 183 B8R1.2 ICC1CCNCC1 AM100873 [0,1,0,0,0,0|2,0,1]=4 184 B8R1.2 ICC1CCNCC1 AM94101 [0,1,0,0,0,0|2,0,1]=4 185 B8R1.2 ICC1CCOCC1 AM20070671 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.2 IC[C@H]1CCCCN1 AM94351 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.2 IC[C@H]1CCCNC1 AM91471 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.2 IC[C@H]1CCCNC1 AM94672 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.2 N#CC1=CCCCC1 AMY16356 [0,1,0,0,0,0|1,0,1]=3 190 B8R1.2 N#CC1=CCCCO1 AMY25029 [0,1,0,0,0,0|2,0,1]=4 191 B8R1.2 N#CC1=CCOCC1 AMY16164 [0,1,0,0,0,0|2,0,1]=4 192 B8R1.2 N#CC1CCCCC1 AM20070512 [0,1,0,0,0,0|1,0,1]=3 193 B8R1.2 N#CC1CCNCC1 AM81180 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.2 N#CC1CCNCC1 AMY4410 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.2 N#CC1CCOCC1 AM20100133 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.2 N#CC1CCSCC1 AMY10287 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.2 N#CN1CCOCC1 AMY39268 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.2 N#C[C@@H]1CCCNC1 AMY34413 [0,1,0,0,0,0|2,0,1]=4 199 B8R1.2 N#C[C@H]1CCCNC1 AM804318 [0,1,0,0,0,0|2,0,1]=4 200 B8R1.2 NCC1CCCCC1 AM803690 [0,1,0,0,0,0|1,0,1]=3 201 B8R1.2 NCC1CCNCC1 AMY3390 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.2 NCC1CCOCC1 AM20080212 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.2 NCC1CCOCC1 AM803826 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.2 NCC1CCSCC1 AMY35633 [0,1,0,0,0,0|2,0,1]=4 205 B8R1.2 NC[C@H]1CCCCN1 AMY3381 [0,1,0,0,0,0|2,0,1]=4 206 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.2 NC[C@H]1CCCNC1 AMY11508 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,1,0,0,0,0|2,0,1]=4 209 B8R1.2 NNC1CCCCC1 AM803671 [0,1,0,0,0,0|1,0,1]=3 210 B8R1.2 NNC1CCCCC1 AM9784 [0,1,0,0,0,0|1,0,1]=3 211 B8R1.2 NNC1CCCCC1 AMY18126 [0,1,0,0,0,0|1,0,1]=3 212 B8R1.2 NNC1CCNCC1 AM9811 [0,1,0,0,0,0|2,0,1]=4 213 B8R1.2 NNC1CCOCC1 AM803017 [0,1,0,0,0,0|2,0,1]=4 214 B8R1.2 NN[C@H]1CCCNC1 AM9839 [0,1,0,0,0,0|2,0,1]=4 215 B8R1.2 NOC1CCCCC1 AMY27644 [0,1,0,0,0,0|0,0,2]=3 216 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,1,0,0,0,0|1,0,2]=4 217 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,1,0,0,0,0|0,0,1]=2 218 B8R1.2 O=CC1=CCCOC1 AM803164 [0,1,0,0,0,0|1,0,1]=3 219 B8R1.2 O=CC1CCCCC1 AM83285 [0,1,0,0,0,0|0,0,1]=2 220 B8R1.2 O=CC1CCNCC1 AM100891 [0,1,0,0,0,0|1,0,1]=3 221 B8R1.2 O=CC1CCNCC1 AM90778 [0,1,0,0,0,0|1,0,1]=3 222 B8R1.2 O=CC1CCNCC1 AM98195 [0,1,0,0,0,0|1,0,1]=3 223 B8R1.2 O=CC1CCOCC1 AM1035 [0,1,0,0,0,0|1,0,1]=3 224 B8R1.2 O=CN1CCCCC1 AMY3400 [0,1,0,0,0,0|1,0,0]=2 225 B8R1.2 O=CN1CCNCC1 AM81361 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.2 O=CN1CCOCC1 AMY23275 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,1,0,0,0,0|1,0,1]=3 228 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,1,0,0,0,0|1,0,1]=3 229 B8R1.2 O=C[C@@H]1CNCCN1 AM81379 [0,1,0,0,0,0|2,0,1]=4 230 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,1,0,0,0,0|1,0,1]=3 231 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,1,0,0,0,0|1,0,1]=3 232 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,1,0,0,0,0|1,0,1]=3 233 B8R1.2 OCC1CCCCC1 AM20070443 [0,1,0,0,0,0|0,0,2]=3 234 B8R1.2 OCC1CCNCC1 AM20100583 [0,1,0,0,0,0|1,0,2]=4 235 B8R1.2 OCC1CCOCC1 AM20080366 [0,1,0,0,0,0|1,0,2]=4 236 B8R1.2 OCC1CCSCC1 AMY3090 [0,1,0,0,0,0|1,0,2]=4 237 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,1,0,0,0,0|1,0,2]=4 238 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,1,0,0,0,0|1,0,2]=4 239 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,1,0,0,0,0|1,0,2]=4 240 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,1,0,0,0,0|1,0,2]=4 241 B8R1.2 ON=C1CCOCC1 AMY19185 [0,1,0,0,0,0|1,0,1]=3 242 B8R1.2 ON=C1CCSCC1 AMY10286 [0,1,0,0,0,0|1,0,1]=3 243 B8R1.3 Br[C@H]1CC[C@H](Br)CC1 AMY6604 [0,1,0,0,0,0|1,0,1]=3 244 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,1,0,0,0,0|2,0,1]=4 245 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,0,0,0|0,0,0]=1 246 B8R1.3 CC1CCC(N)CC1 AM804167 [0,1,0,0,0,0|1,0,1]=3 247 B8R1.3 CN1CC=C(Br)CC1 AMY5718 [0,1,0,0,0,0|2,0,1]=4 248 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,1,0,0,0,0|1,0,0]=2 249 B8R1.3 CN1CCC(Br)CC1 AMY41829 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.3 CN1CCC(Cl)CC1 AMY40670 [0,1,0,0,0,0|2,0,0]=3 251 B8R1.3 CN1CCC(I)CC1 AM100725 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.3 CN1CCC(N)CC1 AM20100109 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.3 CN1CCC(O)CC1 AM802881 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.3 CN1CCC(O)CC1 AMY37059 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.3 CN1CCN(N)CC1 AM85350 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,1,0,0,0,0|0,0,2]=3 257 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 AM807027 [0,1,0,0,0,0|2,0,1]=4 258 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [0,1,0,0,0,0|1,0,2]=4 259 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.3 C[C@H]1CC[C@@H](N)CC1 AMY202003228 [0,1,0,0,0,0|1,0,1]=3 261 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,1,0,0,0,0|0,0,2]=3 262 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [0,1,0,0,0,0|1,0,2]=4 263 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [0,1,0,0,0,0|1,0,2]=4 264 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,1,0,0,0,0|0,0,0]=1 266 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,1,0,0,0,0|0,0,0]=1 267 B8R1.3 NC1CCC(Br)CC1 AM101779 [0,1,0,0,0,0|1,0,1]=3 268 B8R1.3 NC1CCC(Cl)CC1 AM100935 [0,1,0,0,0,0|1,0,1]=3 269 B8R1.3 NC1CCC(I)CC1 AM93472 [0,1,0,0,0,0|1,0,1]=3 270 B8R1.3 NC1CCC(N)CC1 AM100652 [0,1,0,0,0,0|1,0,1]=3 271 B8R1.3 NC1CCC(O)CC1 AMY6164 [0,1,0,0,0,0|0,0,2]=3 272 B8R1.3 NN1CCC(O)CC1 AMY16127 [0,1,0,0,0,0|2,0,0]=3 273 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,1,0,0,0,0|1,0,0]=2 274 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,1,0,0,0,0|1,0,0]=2 275 B8R1.3 N[C@H]1CC[C@@H](N)CC1 AMY37608 [0,1,0,0,0,0|1,0,1]=3 276 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AM62718 [0,1,0,0,0,0|0,0,2]=3 277 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AMY35196 [0,1,0,0,0,0|0,0,2]=3 278 B8R1.3 N[C@H]1CC[C@H](N)CC1 AM20070543 [0,1,0,0,0,0|1,0,1]=3 279 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070547 [0,1,0,0,0,0|0,0,2]=3 280 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070555 [0,1,0,0,0,0|0,0,2]=3 281 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,1,0,0,0,0|1,0,1]=3 282 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,1,0,0,0,0|0,0,0]=1 283 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,1,0,0,0,0|0,0,0]=1 284 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,0,0,0|1,0,0]=2 285 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,0,0,0|2,0,0]=3 286 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,1,0,0,0,0|2,0,1]=4 287 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,1,0,0,0,0|2,0,1]=4 288 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,1,0,0,0,0|2,0,1]=4 289 B8R1.4 CC1CC(N)CCN1 AMY19269 [0,1,0,0,0,0|2,0,1]=4 290 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,1,0,0,0,0|2,0,1]=4 291 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,1,0,0,0,0|2,0,1]=4 292 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,1,0,0,0,0|1,0,2]=4 293 B8R1.4 CC1CCCC(N)C1 AM20070507 [0,1,0,0,0,0|1,0,1]=3 294 B8R1.4 CC1CNCC(C)C1 AMY3386 [0,1,0,0,0,0|2,0,1]=4 295 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,0,0,0|1,0,0]=2 296 B8R1.4 CN1CCC[C@H](Br)C1 AM100732 [0,1,0,0,0,0|2,0,0]=3 297 B8R1.4 CN1CCC[C@H](Br)C1 AM96149 [0,1,0,0,0,0|2,0,0]=3 298 B8R1.4 CN1CCC[C@H](Br)C1 AM96336 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.4 CN1CCC[C@H](Cl)C1 AM100541 [0,1,0,0,0,0|2,0,0]=3 300 B8R1.4 CN1CCC[C@H](Cl)C1 AM95149 [0,1,0,0,0,0|2,0,0]=3 301 B8R1.4 CN1CCC[C@H](Cl)C1 AM96246 [0,1,0,0,0,0|2,0,0]=3 302 B8R1.4 CN1CCC[C@H](I)C1 AM92117 [0,1,0,0,0,0|2,0,0]=3 303 B8R1.4 CN1CCC[C@H](I)C1 AM96657 [0,1,0,0,0,0|2,0,0]=3 304 B8R1.4 CN1CCC[C@H](I)C1 AM96719 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.4 CN1CCC[C@H](N)C1 AM100811 [0,1,0,0,0,0|2,0,0]=3 306 B8R1.4 CN1CCC[C@H](N)C1 AM101540 [0,1,0,0,0,0|2,0,0]=3 307 B8R1.4 CN1CCC[C@H](N)C1 AM20070636 [0,1,0,0,0,0|2,0,0]=3 308 B8R1.4 CN1CCC[C@H](N)C1 AM20120292 [0,1,0,0,0,0|2,0,0]=3 309 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [0,1,0,0,0,0|2,0,0]=3 310 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [0,1,0,0,0,0|2,0,0]=3 311 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,1,0,0,0,0|2,0,0]=3 312 B8R1.4 C[C@@H]1CN(C)CCN1 AMY38520 [0,1,0,0,0,0|3,0,0]=4 313 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,0,0,0|1,0,0]=2 314 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,0,0,0|1,0,0]=2 315 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,0,0,0|1,0,0]=2 316 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,0,0,0|1,0,0]=2 317 B8R1.4 C[C@H]1CN(C)CCN1 AM100533 [0,1,0,0,0,0|3,0,0]=4 318 B8R1.4 C[C@H]1CN(C)CCN1 AMY24173 [0,1,0,0,0,0|3,0,0]=4 319 B8R1.4 C[C@H]1CN(C)CCN1 AMY5825 [0,1,0,0,0,0|3,0,0]=4 320 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.4 NC1CCCC(O)C1 AM20070553 [0,1,0,0,0,0|0,0,2]=3 322 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AMY35651 [0,1,0,0,0,0|0,0,2]=3 323 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90249 [0,1,0,0,0,0|0,0,2]=3 324 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90265 [0,1,0,0,0,0|0,0,2]=3 325 B8R1.4 N[C@H]1CCC[C@@H](N)C1 AM85391 [0,1,0,0,0,0|1,0,1]=3 326 B8R1.4 N[C@H]1CCC[C@@H](O)C1 AMY37601 [0,1,0,0,0,0|0,0,2]=3 327 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90267 [0,1,0,0,0,0|0,0,2]=3 328 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90268 [0,1,0,0,0,0|0,0,2]=3 329 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,0,0,0|1,0,0]=2 330 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,0,0,0|1,0,0]=2 331 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,1,0,0,0,0|0,0,1]=2 332 B8R1.4 O=C1CCCC(=O)N1 AMY400 [0,1,0,0,0,0|1,0,1]=3 333 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,1,0,0,0,0|1,0,1]=3 334 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,1,0,0,0,0|1,0,1]=3 335 B8R1.4 O=C1CNCC(=O)N1 AMY34235 [0,1,0,0,0,0|2,0,1]=4 336 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,0,0,0|1,0,0]=2 337 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,0,0,0|1,0,0]=2 338 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,0,0,0|1,0,0]=2 339 B8R1.5 CC1=NCCCN1C AM20100127 [0,1,0,0,0,0|3,0,0]=4 340 B8R1.5 CC1CCCCC1N AM804248 [0,1,0,0,0,0|1,0,1]=3 341 B8R1.5 CC1CCCNC1C AM81284 [0,1,0,0,0,0|2,0,1]=4 342 B8R1.5 CC1CNCCC1O AM10443 [0,1,0,0,0,0|1,0,2]=4 343 B8R1.5 CC1CNCCC1O AM803717 [0,1,0,0,0,0|1,0,2]=4 344 B8R1.5 CC1COCCC1N AM91481 [0,1,0,0,0,0|2,0,1]=4 345 B8R1.5 CC1COCCC1O AM101521 [0,1,0,0,0,0|1,0,2]=4 346 B8R1.5 CC1COCCC1S AM99651 [0,1,0,0,0,0|1,1,1]=4 347 B8R1.5 CN1CCNCC1=O AM20100457 [0,1,0,0,0,0|2,0,0]=3 348 B8R1.5 CN1CCNCC1=O AMY39473 [0,1,0,0,0,0|2,0,0]=3 349 B8R1.5 C[C@@H]1CNCCN1C AMY32368 [0,1,0,0,0,0|3,0,0]=4 350 B8R1.5 C[C@@H]1CNCCN1C AMY34366 [0,1,0,0,0,0|3,0,0]=4 351 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,1,0,0,0,0|2,0,0]=3 352 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,0,0,0|0,0,0]=1 353 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,0,0,0|1,0,0]=2 354 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,0,0,0|1,0,0]=2 355 B8R1.5 C[C@H]1CNCCN1C AMY34386 [0,1,0,0,0,0|3,0,0]=4 356 B8R1.5 C[C@H]1CNCCN1C AMY39146 [0,1,0,0,0,0|3,0,0]=4 357 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,0,0,0|1,0,0]=2 358 B8R1.5 NC1CCCCC1F AM806373 [0,1,0,0,0,0|1,0,1]=3 359 B8R1.5 NC1CCCCC1N AM20070551 [0,1,0,0,0,0|1,0,1]=3 360 B8R1.5 NC1CCCCC1O AMY1039 [0,1,0,0,0,0|0,0,2]=3 361 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [0,1,0,0,0,0|0,0,2]=3 362 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [0,1,0,0,0,0|0,0,2]=3 363 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,0,0,0|1,0,0]=2 364 B8R1.5 N[C@@H]1CCOC[C@@H]1F AMY35194 [0,1,0,0,0,0|2,0,1]=4 365 B8R1.5 N[C@@H]1CCOC[C@@H]1O AMY35197 [0,1,0,0,0,0|1,0,2]=4 366 B8R1.5 N[C@@H]1CCOC[C@H]1F AMY34428 [0,1,0,0,0,0|2,0,1]=4 367 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16937 [0,1,0,0,0,0|1,0,2]=4 368 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16938 [0,1,0,0,0,0|1,0,2]=4 369 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16933 [0,1,0,0,0,0|1,0,2]=4 370 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16934 [0,1,0,0,0,0|1,0,2]=4 371 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,0,0,0|0,0,0]=1 372 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070468 [0,1,0,0,0,0|1,0,1]=3 373 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070469 [0,1,0,0,0,0|1,0,1]=3 374 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [0,1,0,0,0,0|0,0,2]=3 375 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [0,1,0,0,0,0|0,0,2]=3 376 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [0,1,0,0,0,0|0,0,2]=3 377 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [0,1,0,0,0,0|0,0,2]=3 378 B8R1.5 N[C@H]1CCCC[C@H]1N AMY19985 [0,1,0,0,0,0|1,0,1]=3 379 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [0,1,0,0,0,0|0,0,2]=3 380 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,0,0,0|1,0,0]=2 381 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,0,0,0|1,0,0]=2 382 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16939 [0,1,0,0,0,0|1,0,2]=4 383 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16940 [0,1,0,0,0,0|1,0,2]=4 384 B8R1.5 N[C@H]1CCOC[C@H]1O AMY35749 [0,1,0,0,0,0|1,0,2]=4 385 B8R1.5 N[C@H]1COCC[C@@H]1O AMY16887 [0,1,0,0,0,0|1,0,2]=4 386 B8R1.5 N[C@H]1COCC[C@H]1O AMY35193 [0,1,0,0,0,0|1,0,2]=4 387 B8R1.5 O=C1CCCCC1=O AM20070526 [0,1,0,0,0,0|0,0,1]=2 388 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,0,0,0|0,0,0]=1 389 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,0,0,0|0,0,0]=1 390 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,1,0,0,0,0|1,0,0]=2 391 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,1,0,0,0,0|1,0,0]=2 392 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,1,0,0,0,0|1,0,0]=2 393 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,1,0,0,0,0|1,0,0]=2 394 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,1,0,0,0,0|1,0,0]=2 395 B8R1.5 OC1CCNCC1O AMY19280 [0,1,0,0,0,0|1,0,2]=4 396 B8R1.5 OC1CCOCC1F AMY34852 [0,1,0,0,0,0|1,0,2]=4 397 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [0,1,0,0,0,0|0,0,2]=3 398 B8R1.5 O[C@H]1CCNC[C@H]1F AMY14765 [0,1,0,0,0,0|1,0,2]=4 399 B8R1.5 O[C@H]1CCOC[C@@H]1F AMY35862 [0,1,0,0,0,0|1,0,2]=4 400 B8R1.5 O[C@H]1CNCC[C@H]1O AMY34059 [0,1,0,0,0,0|1,0,2]=4 401 B8R1.72 CC1(C)CCCNC1 AMY42566 [0,1,0,0,0,0|2,0,1]=4 402 B8R1.72 CC1(C)CCNCC1 AMY21772 [0,1,0,0,0,0|2,0,1]=4 403 B8R1.72 CC1(C)CCNCC1 AMY41051 [0,1,0,0,0,0|2,0,1]=4 404 B8R1.72 CC1(N)CCCCC1 AM804197 [0,1,0,0,0,0|1,0,1]=3 405 B8R1.72 CC1(N)CCOCC1 AMY23061 [0,1,0,0,0,0|2,0,1]=4 406 B8R1.72 CC1(N)CCOCC1 AMY34985 [0,1,0,0,0,0|2,0,1]=4 407 B8R1.72 CC1(O)CCCCC1 AMY25717 [0,1,0,0,0,0|0,0,2]=3 408 B8R1.72 CC1(O)CCNCC1 AM100764 [0,1,0,0,0,0|1,0,2]=4 409 B8R1.72 CC1(O)CCNCC1 AM804091 [0,1,0,0,0,0|1,0,2]=4 410 B8R1.72 CC1(O)CCOCC1 AMY23045 [0,1,0,0,0,0|1,0,2]=4 411 B8R1.72 C[C@]1(O)CCCNC1 AM20100188 [0,1,0,0,0,0|1,0,2]=4 412 B8R1.72 C[Si]1(C)CCNCC1 AMY6687 [0,1,0,0,0,0|2,1,0]=4 413 B8R1.72 C[Si]1(C)CCNCC1 AMY6694 [0,1,0,0,0,0|2,1,0]=4 414 B8R1.72 FC1(F)CCCCC1 AMY5923 [0,1,0,0,0,0|1,0,1]=3 415 B8R1.72 FC1(F)CCCNC1 AM20100211 [0,1,0,0,0,0|2,0,1]=4 416 B8R1.72 FC1(F)CCNCC1 AM20080336 [0,1,0,0,0,0|2,0,1]=4 417 B8R1.72 FC1(F)CCNCC1 AM20090207 [0,1,0,0,0,0|2,0,1]=4 418 B8R1.72 O=S1(=O)CCCCN1 AM803804 [0,1,0,0,0,0|2,0,0]=3 419 B8R1.72 O=S1(=O)CCNCC1 AM20100461 [0,1,0,0,0,0|2,0,0]=3 420 B8R1.72 O=S1(=O)CCNCC1 AM84924 [0,1,0,0,0,0|2,0,0]=3 421 B6R0.1 C#CC(=O)OCC AM20100525 [0,0,1,0,0,0|1,0,2]=4 422 B6R0.1 C=CC(=O)NCC AMY36703 [0,0,1,0,0,0|1,0,2]=4 423 B6R0.1 C=CC(=O)OCC AMY40211 [0,0,1,0,0,0|1,0,2]=4 424 B6R0.1 CC#CC(=O)OC AMY1234 [0,0,1,0,0,0|1,0,2]=4 425 B6R0.1 CCC(=O)CC#N AMY10591 [0,0,1,0,0,0|1,0,1]=3 426 B6R0.1 CCNC(=O)CCl AM802871 [0,0,1,0,0,0|2,0,0]=3 427 B6R0.1 CCNC(=O)NC AM85700 [0,0,1,0,0,0|2,0,0]=3 428 B6R0.1 CCOC(=N)CCl AMY15738 [0,0,1,0,0,0|3,0,0]=4 429 B6R0.1 CCOC(=O)CBr AM20070701 [0,0,1,0,0,0|2,0,0]=3 430 B6R0.1 CCOC(=O)CC AMY21941 [0,0,1,0,0,0|1,0,0]=2 431 B6R0.1 CCOC(=O)CN AM81786 [0,0,1,0,0,0|2,0,0]=3 432 B6R0.1 CCOC(=O)NC AMY3767 [0,0,1,0,0,0|2,0,0]=3 433 B6R0.1 CCOC(=O)NN AMY23328 [0,0,1,0,0,0|3,0,0]=4 434 B6R0.1 CNC(=O)CC#N AM20100565 [0,0,1,0,0,0|2,0,1]=4 435 B6R0.1 CNCC(=O)OC AM82645 [0,0,1,0,0,0|2,0,0]=3 436 B6R0.1 COC(=O)CCBr AMY21872 [0,0,1,0,0,0|2,0,0]=3 437 B6R0.1 COC(=O)CCN AM20090461 [0,0,1,0,0,0|2,0,0]=3 438 B6R0.1 COC(=O)CCO AM85845 [0,0,1,0,0,0|2,0,0]=3 439 B6R0.1 COC(=O)CSC AMY10908 [0,0,1,0,0,0|2,0,0]=3 440 B6R0.1 COC(=O)OCCl AMY37648 [0,0,1,0,0,0|3,0,0]=4 441 B6R0.1 COCC(=O)NN AMY3068 [0,0,1,0,0,0|3,0,0]=4 442 B6R0.1 COCC(=O)OC AMY4063 [0,0,1,0,0,0|2,0,0]=3 443 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,0,1,0,0,0|1,0,2]=4 444 B6R0.1 O=C(CCl)CCCl AM9592 [0,0,1,0,0,0|2,0,0]=3 445 B6R0.4 C#CCOC(C)=O AM90264 [0,0,1,0,0,0|1,0,2]=4 446 B6R0.4 C=CCCC(=O)Cl AMY808 [0,0,1,0,0,0|1,0,2]=4 447 B6R0.4 C=CCCC(=O)O AMY12553 [0,0,1,0,0,0|1,0,2]=4 448 B6R0.4 C=CCCC(C)=O AM84335 [0,0,1,0,0,0|0,0,2]=3 449 B6R0.4 C=CCOC(C)=O AMY22115 [0,0,1,0,0,0|1,0,2]=4 450 B6R0.4 CC(=O)NCCN AMY40665 [0,0,1,0,0,0|2,0,0]=3 451 B6R0.4 CC(C)CCCO AMY39142 [0,0,1,0,0,0|2,0,1]=4 452 B6R0.4 CCCCC(=O)[O-] AMY026 [0,0,1,0,0,0|1,0,0]=2 453 B6R0.4 CCCCN(C)C AMY25818 [0,0,1,0,0,0|2,0,0]=3 454 B6R0.4 CCCOC(=O)Cl AMY3779 [0,0,1,0,0,0|2,0,0]=3 455 B6R0.4 CCOCC(=O)O AMY4062 [0,0,1,0,0,0|2,0,0]=3 456 B6R0.4 CCSCC(=O)O AM20100532 [0,0,1,0,0,0|2,0,0]=3 457 B6R0.4 CN(C)CCCCl AM84336 [0,0,1,0,0,0|3,0,0]=4 458 B6R0.4 CN(C)CCCCl AM90218 [0,0,1,0,0,0|3,0,0]=4 459 B6R0.4 CNCCC(=O)O AM84855 [0,0,1,0,0,0|2,0,0]=3 460 B6R0.4 CNCCC(C)C AMY37348 [0,0,1,0,0,0|2,0,1]=4 461 B6R0.4 CNCCC(C)C AMY37370 [0,0,1,0,0,0|2,0,1]=4 462 B6R0.4 CNCCN(C)C AMY10373 [0,0,1,0,0,0|3,0,0]=4 463 B6R0.4 COCCC(=O)O AMY2689 [0,0,1,0,0,0|2,0,0]=3 464 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,0,1,0,0,0|2,0,1]=4 465 B6R0.4 NC(=O)OCCCl AMY19018 [0,0,1,0,0,0|3,0,0]=4 466 B6R0.4 NCCCC(=O)O AM20100372 [0,0,1,0,0,0|2,0,0]=3 467 B6R0.4 NCCCC(N)=O AMY15220 [0,0,1,0,0,0|2,0,0]=3 468 B6R0.4 O=C(Cl)CCCCl AMY25684 [0,0,1,0,0,0|2,0,0]=3 469 B6R0.4 O=C(O)CCCS AM20080221 [0,0,1,0,0,0|2,0,0]=3 470 B6R0.6 BrCCCCCBr AMY11214 [0,0,1,0,0,0|2,0,1]=4 471 B6R0.6 C=CCCCCBr AM84859 [0,0,1,0,0,0|2,0,0]=3 472 B6R0.6 C=CCCCCO AM20100796 [0,0,1,0,0,0|2,0,0]=3 473 B6R0.6 C=COCCCN AMY3063 [0,0,1,0,0,0|3,0,0]=4 474 B6R0.6 CCCCCCC AMY22304 [0,0,1,0,0,0|1,0,1]=3 475 B6R0.6 CCCCCCN AMY21942 [0,0,1,0,0,0|1,0,1]=3 476 B6R0.6 CCCCNCC AMY3985 [0,0,1,0,0,0|2,0,1]=4 477 B6R0.6 CCCCON=O AMY4016 [0,0,1,0,0,0|2,0,0]=3 478 B6R0.6 CCOCCC#N AMY40959 [0,0,1,0,0,0|2,0,1]=4 479 B6R0.6 CCOCCCN AMY21920 [0,0,1,0,0,0|2,0,1]=4 480 B6R0.6 CCOCCCO AM20080058 [0,0,1,0,0,0|1,0,2]=4 481 B6R0.6 COCCCCBr AMY9376 [0,0,1,0,0,0|2,0,1]=4 482 B6R0.6 COCCCCO AM20080057 [0,0,1,0,0,0|1,0,2]=4 483 B6R0.6 C\C=C\CCCO AMY2616 [0,0,1,0,0,0|2,0,1]=4 484 B6R0.6 FCCCCCBr AM20100088 [0,0,1,0,0,0|2,0,1]=4 485 B6R0.6 N#CCCCCCl AM20100537 [0,0,1,0,0,0|2,0,1]=4 486 B6R0.6 NCCCCCN AM61576 [0,0,1,0,0,0|2,0,1]=4 487 B6R0.6 O=CCCCC=O AMY3308 [0,0,1,0,0,0|1,0,1]=3 488 B6R0.6 O=CCCCCCl AMY772 [0,0,1,0,0,0|1,0,0]=2 489 B6R0.6 OCCCCCBr AM20090543 [0,0,1,0,0,0|1,0,2]=4 490 B8R2.11 NC1[C@H]2COC[C@H]12 AMY23753 [0,0,0,1,0,0|2,0,1]=4 491 B8R2.18 OC1CC2CC2C1 AMY26501 [0,0,0,1,0,0|0,0,2]=3 492 B8R2.23 C1NCC2CC1C2 AMY26080 [0,0,0,1,0,0|2,0,1]=4 493 B8R2.23 C1NCC2CC1O2 AM10861 [0,0,0,1,0,0|1,0,2]=4 494 B8R2.23 C1NCC2CC1O2 AMY12205 [0,0,0,1,0,0|1,0,2]=4 495 B8R2.23 C1OCC2CC1N2 AM803637 [0,0,0,1,0,0|2,0,1]=4 496 B8R2.25 C1CC2OC2CO1 AMY11235 [0,0,0,1,0,0|1,0,2]=4 497 B8R2.34 C1CC2CC1CN2 AMY6354 [0,0,0,1,0,0|2,0,1]=4 498 B8R2.34 C1CC2CCC1N2 AM20070524 [0,0,0,1,0,0|1,0,1]=3 499 B8R2.34 C1CC2CCC1N2 AMY11781 [0,0,0,1,0,0|1,0,1]=3 500 B6R1.2 BrC1=CCCC1 AMY38286 [0,0,0,0,1,0|1,0,1]=3 501 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,0,1,0|1,0,1]=3 502 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,0,0,0,1,0|2,0,1]=4 503 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,0,0,0,1,0|2,0,1]=4 504 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,0,0,0,1,0|2,0,1]=4 505 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,0,0,0,1,0|2,0,1]=4 506 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,0,0,0,1,0|2,0,1]=4 507 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,0,0,0,1,0|2,0,1]=4 508 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,0,0,0,1,0|2,0,1]=4 509 B6R1.2 C=C1CCOC1 AMY6014 [0,0,0,0,1,0|2,0,0]=3 510 B6R1.2 CC1=CCCC1 AMY6023 [0,0,0,0,1,0|1,0,1]=3 511 B6R1.2 CC1=NCCC1 AMY886 [0,0,0,0,1,0|2,0,0]=3 512 B6R1.2 CC1=NCCS1 AMY23228 [0,0,0,0,1,0|3,0,0]=4 513 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,0,1,0|1,0,1]=3 514 B6R1.2 CN1CCCC1 AMY25542 [0,0,0,0,1,0|2,0,0]=3 515 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,0,1,0|2,0,1]=4 516 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,0,1,0|2,0,1]=4 517 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,0,1,0|2,0,1]=4 518 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,0,1,0|2,0,1]=4 519 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,0,1,0|2,0,1]=4 520 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,0,1,0|2,0,1]=4 521 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,0,1,0|2,0,1]=4 522 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,0,1,0|2,0,1]=4 523 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,0,1,0|2,0,1]=4 524 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,0,1,0|2,0,1]=4 525 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,0,1,0|1,0,1]=3 526 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,0,0,0,1,0|2,0,1]=4 527 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,0,0,0,1,0|2,0,1]=4 528 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,0,0,0,1,0|2,0,1]=4 529 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,0,0,0,1,0|2,0,1]=4 530 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,0,0,0,1,0|2,0,1]=4 531 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,0,0,0,1,0|2,0,1]=4 532 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,0,0,0,1,0|2,0,1]=4 533 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,0,0,0,1,0|2,0,1]=4 534 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,0,0,0,1,0|2,0,1]=4 535 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,0,0,0,1,0|2,0,1]=4 536 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,0,0,0,1,0|2,0,1]=4 537 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,0,0,0,1,0|2,0,1]=4 538 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,0,1,0|1,0,1]=3 539 B6R1.2 I[C@H]1CCNC1 AM91594 [0,0,0,0,1,0|2,0,1]=4 540 B6R1.2 I[C@H]1CCNC1 AM91619 [0,0,0,0,1,0|2,0,1]=4 541 B6R1.2 I[C@H]1CCNC1 AM91621 [0,0,0,0,1,0|2,0,1]=4 542 B6R1.2 I[C@H]1CCNC1 AM92136 [0,0,0,0,1,0|2,0,1]=4 543 B6R1.2 I[C@H]1CCNC1 AM95453 [0,0,0,0,1,0|2,0,1]=4 544 B6R1.2 I[C@H]1CCNC1 AM96429 [0,0,0,0,1,0|2,0,1]=4 545 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,0,0,0,1,0|2,0,1]=4 546 B6R1.2 N=C1CCCC1 AMY39966 [0,0,0,0,1,0|1,0,0]=2 547 B6R1.2 NC1=NCCS1 AMY202003298 [0,0,0,0,1,0|3,0,0]=4 548 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,0,1,0|1,0,1]=3 549 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,0,0,0,1,0|2,0,1]=4 550 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,0,1,0|2,0,1]=4 551 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,0,1,0|2,0,1]=4 552 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,0,1,0|2,0,1]=4 553 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,0,1,0|2,0,1]=4 554 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,0,1,0|2,0,1]=4 555 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,0,1,0|2,0,1]=4 556 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,0,1,0|2,0,1]=4 557 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,0,1,0|2,0,1]=4 558 B6R1.2 O=C1C=CCC1 AM61702 [0,0,0,0,1,0|0,0,2]=3 559 B6R1.2 O=C1C=CCO1 AM20100212 [0,0,0,0,1,0|1,0,2]=4 560 B6R1.2 O=C1CC=NN1 AMY11924 [0,0,0,0,1,0|2,0,1]=4 561 B6R1.2 O=C1CCCC1 AMY37126 [0,0,0,0,1,0|0,0,0]=1 562 B6R1.2 O=C1CCCN1 AMY25506 [0,0,0,0,1,0|1,0,0]=2 563 B6R1.2 O=C1CCNC1 AM20120384 [0,0,0,0,1,0|1,0,0]=2 564 B6R1.2 O=C1CCNC1 AMY6183 [0,0,0,0,1,0|1,0,0]=2 565 B6R1.2 O=C1CCNN1 AMY39277 [0,0,0,0,1,0|2,0,0]=3 566 B6R1.2 O=C1CCOC1 AM20090235 [0,0,0,0,1,0|1,0,0]=2 567 B6R1.2 O=C1CCSC1 AMY23378 [0,0,0,0,1,0|1,0,0]=2 568 B6R1.2 O=C1CNCN1 AM84594 [0,0,0,0,1,0|2,0,0]=3 569 B6R1.2 O=C1NCCN1 AM20080146 [0,0,0,0,1,0|2,0,0]=3 570 B6R1.2 O=C1NCCO1 AMY39498 [0,0,0,0,1,0|2,0,0]=3 571 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,0,1,0|0,0,2]=3 572 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,0,1,0|1,0,2]=4 573 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,0,0,0,1,0|1,0,2]=4 574 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,0,0,0,1,0|1,0,2]=4 575 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,0,0,0,1,0|1,0,2]=4 576 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,0,0,0,1,0|1,0,2]=4 577 B6R1.2 O[C@H]1CCNC1 AM90404 [0,0,0,0,1,0|1,0,2]=4 578 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,0,0,0,1,0|1,0,2]=4 579 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,0,0,0,1,0|1,0,2]=4 580 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,0,0,0,1,0|1,0,2]=4 581 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,0,0,0,1,0|1,0,2]=4 582 B6R1.2 SC1=NCCS1 AMY23225 [0,0,0,0,1,0|2,1,0]=4 583 B6R1.2 S[C@H]1CCOC1 AM101772 [0,0,0,0,1,0|1,1,1]=4 584 B8R1.22 CN1CCCNCC1 AMY31990 [0,0,0,0,0,1|2,0,0]=3 585 B8R1.22 C[C@H]1CCCNCC1 AM803851 [0,0,0,0,0,1|1,0,1]=3 586 B8R1.22 C[C@H]1CCNCCN1 AMY38552 [0,0,0,0,0,1|2,0,1]=4 587 B8R1.22 C[C@H]1CNCCCN1 AMY15712 [0,0,0,0,0,1|2,0,1]=4 588 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,0,0,0,0,1|2,0,1]=4 589 B8R1.22 FC1CNCCNC1 AM90251 [0,0,0,0,0,1|2,0,1]=4 590 B8R1.22 F[C@H]1CCCCNC1 AM806514 [0,0,0,0,0,1|1,0,1]=3 591 B8R1.22 F[C@H]1CCCNCC1 AM806515 [0,0,0,0,0,1|1,0,1]=3 592 B8R1.22 F[C@H]1CCCNCC1 AMY34974 [0,0,0,0,0,1|1,0,1]=3 593 B8R1.22 N[C@@H]1CCCCNC1 AMY3810 [0,0,0,0,0,1|1,0,1]=3 594 B8R1.22 N[C@H]1CCCCNC1 AM20100642 [0,0,0,0,0,1|1,0,1]=3 595 B8R1.22 N[C@H]1CCCCNC1 AM9633 [0,0,0,0,0,1|1,0,1]=3 596 B8R1.22 O=C1CCCCCC1 AMY3995 [0,0,0,0,0,1|0,0,0]=1 597 B8R1.22 O=C1CCCCCN1 AM802872 [0,0,0,0,0,1|0,0,0]=1 598 B8R1.22 O=C1CCCNCC1 AM20100232 [0,0,0,0,0,1|0,0,0]=1 599 B8R1.22 O=C1CCNCCN1 AM20090172 [0,0,0,0,0,1|1,0,0]=2 600 B8R1.22 O=C1CCNCCN1 AM85736 [0,0,0,0,0,1|1,0,0]=2 601 B8R1.22 O=C1CNCCCN1 AM804637 [0,0,0,0,0,1|1,0,0]=2 602 B8R1.22 OC1CNCCNC1 AM90255 [0,0,0,0,0,1|1,0,2]=4 603 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,0,0,0,0,1|0,0,2]=3 604 B5R0.1 C=C(C)CCBr AMY7022 [1,0,1,0,0,0|2,0,0]=4 605 B5R0.1 C=CCC(C)=O AMY31929 [1,0,1,0,0,0|0,0,2]=4 606 B5R0.1 CC(=O)CC#N AM86800 [1,0,1,0,0,0|1,0,1]=4 607 B5R0.1 CC(=O)CC#N AMY7035 [1,0,1,0,0,0|1,0,1]=4 608 B5R0.1 CC(=O)CCO AMY31061 [1,0,1,0,0,0|1,0,0]=3 609 B5R0.1 CC(=O)OCCl AMY28690 [1,0,1,0,0,0|2,0,0]=4 610 B5R0.1 CCCC(=N)N AM802888 [1,0,1,0,0,0|2,0,0]=4 611 B5R0.1 CCCC(=N)N AMY2389 [1,0,1,0,0,0|2,0,0]=4 612 B5R0.1 CCCC(C)=O AMY25524 [1,0,1,0,0,0|0,0,0]=2 613 B5R0.1 CCC[C@H](C)N AMY12548 [1,0,1,0,0,0|1,0,1]=4 614 B5R0.1 CCOC(C)=N AM90190 [1,0,1,0,0,0|2,0,0]=4 615 B5R0.1 CCOC(N)=O AM20100253 [1,0,1,0,0,0|2,0,0]=4 616 B5R0.1 CCSC(C)=S AM90236 [1,0,1,0,0,0|1,1,0]=4 617 B5R0.1 CNCC(=O)O AM20080021 [1,0,1,0,0,0|2,0,0]=4 618 B5R0.1 CNCC(C)=O AM806508 [1,0,1,0,0,0|1,0,0]=3 619 B5R0.1 CNCC(N)=O AM82642 [1,0,1,0,0,0|2,0,0]=4 620 B5R0.1 COCC(=O)Cl AMY40728 [1,0,1,0,0,0|2,0,0]=4 621 B5R0.1 COCC(=O)O AMY4059 [1,0,1,0,0,0|2,0,0]=4 622 B5R0.1 CSCC(N)=O AMY10906 [1,0,1,0,0,0|2,0,0]=4 623 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,1,0,0,0|0,0,2]=4 624 B5R0.1 NCCC(=O)O AM20080020 [1,0,1,0,0,0|2,0,0]=4 625 B5R0.1 NCCC(=O)O AMY22128 [1,0,1,0,0,0|2,0,0]=4 626 B5R0.1 NCCC(N)=O AM20100576 [1,0,1,0,0,0|2,0,0]=4 627 B5R0.1 NCCC(N)=O AMY6958 [1,0,1,0,0,0|2,0,0]=4 628 B5R0.1 O=C(Cl)CCBr AM90184 [1,0,1,0,0,0|2,0,0]=4 629 B5R0.1 O=C(O)CCBr AM20100434 [1,0,1,0,0,0|2,0,0]=4 630 B5R0.1 O=C(O)CCF AM803932 [1,0,1,0,0,0|2,0,0]=4 631 B5R0.1 O=C(O)CCO AM85796 [1,0,1,0,0,0|2,0,0]=4 632 B5R0.1 O=C(O)CCS AMY27767 [1,0,1,0,0,0|2,0,0]=4 633 B5R0.2 BrCCCCBr AM20080049 [1,0,1,0,0,0|2,0,0]=4 634 B5R0.2 C#CCCCC AMY1242 [1,0,1,0,0,0|0,0,2]=4 635 B5R0.2 C=CCCCBr AM20080066 [1,0,1,0,0,0|1,0,1]=4 636 B5R0.2 C=CCCCO AMY41353 [1,0,1,0,0,0|1,0,1]=4 637 B5R0.2 CCCCCBr AMY9378 [1,0,1,0,0,0|1,0,0]=3 638 B5R0.2 CCCCCC AMY22305 [1,0,1,0,0,0|0,0,1]=3 639 B5R0.2 CCCCCN AMY21878 [1,0,1,0,0,0|1,0,0]=3 640 B5R0.2 CCCCCS AMY19243 [1,0,1,0,0,0|0,1,0]=3 641 B5R0.2 CCCCNN AMY202003284 [1,0,1,0,0,0|2,0,0]=4 642 B5R0.2 CCCNCC AMY13343 [1,0,1,0,0,0|1,0,0]=3 643 B5R0.2 CNCCCN AM20100546 [1,0,1,0,0,0|2,0,0]=4 644 B5R0.2 CNCCNC AM86300 [1,0,1,0,0,0|2,0,0]=4 645 B5R0.2 COCCCBr AM20090592 [1,0,1,0,0,0|2,0,0]=4 646 B5R0.2 COCCCCl AMY25654 [1,0,1,0,0,0|2,0,0]=4 647 B5R0.2 COCCCN AMY21871 [1,0,1,0,0,0|2,0,0]=4 648 B5R0.2 COCCCN AMY38449 [1,0,1,0,0,0|2,0,0]=4 649 B5R0.2 COCCCO AM20080231 [1,0,1,0,0,0|1,0,1]=4 650 B5R0.2 COCCOC AMY25530 [1,0,1,0,0,0|2,0,0]=4 651 B5R0.2 CSCCCCl AMY744 [1,0,1,0,0,0|2,0,0]=4 652 B5R0.2 ClCCCCI AMY2538 [1,0,1,0,0,0|2,0,0]=4 653 B5R0.2 N#CCCC=O AMY9205 [1,0,1,0,0,0|1,0,1]=4 654 B5R0.2 NCCCCCl AMY15236 [1,0,1,0,0,0|2,0,0]=4 655 B5R0.2 NCCCCN AM20090504 [1,0,1,0,0,0|2,0,0]=4 656 B5R0.2 NCCCCO AMY17788 [1,0,1,0,0,0|1,0,1]=4 657 B5R0.2 O=CCCC=O AMY18777 [1,0,1,0,0,0|1,0,1]=4 658 B5R0.3 CCC(=O)CC AMY11060 [1,0,1,0,0,0|0,0,0]=2 659 B5R0.3 CCC(=O)OC AMY21940 [1,0,1,0,0,0|1,0,0]=3 660 B5R0.3 CCC(N)CC AMY4054 [1,0,1,0,0,0|1,0,1]=4 661 B5R0.3 CCN(C)CC AMY13336 [1,0,1,0,0,0|2,0,0]=4 662 B5R0.3 CCN(O)CC AMY25658 [1,0,1,0,0,0|1,0,1]=4 663 B5R0.3 COC(=O)CF AM20100155 [1,0,1,0,0,0|2,0,0]=4 664 B5R0.3 COC(=O)CN AM81785 [1,0,1,0,0,0|2,0,0]=4 665 B5R0.3 COC(=O)OC AMY37165 [1,0,1,0,0,0|2,0,0]=4 666 B5R0.3 O=C(CBr)CBr AM85919 [1,0,1,0,0,0|2,0,0]=4 667 B5R0.3 O=C(CO)CBr AMY19754 [1,0,1,0,0,0|2,0,0]=4 668 B7R0.2 CC(C)OC(=O)CN AM81795 [0,1,1,0,0,0|2,0,0]=4 669 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,1,1,0,0,0|2,0,0]=4 670 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,1,0,0,0|1,0,1]=4 671 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,1,0,0,0|1,0,1]=4 672 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,1,0,0,0|0,0,1]=3 673 B7R0.2 CCC(C)CC(C)N AMY12579 [0,1,1,0,0,0|1,0,1]=4 674 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,1,1,0,0,0|1,0,0]=3 675 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,1,1,0,0,0|1,0,0]=3 676 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,1,1,0,0,0|1,0,0]=3 677 B7R0.3 C=CC(=O)NCCC AMY39214 [0,1,1,0,0,0|0,0,2]=4 678 B7R0.3 CCCCC(=O)NN AMY3964 [0,1,1,0,0,0|2,0,0]=4 679 B7R0.3 CCCOC(=O)CC AMY21939 [0,1,1,0,0,0|0,0,0]=2 680 B7R0.3 CNCCC(=O)OC AMY4326 [0,1,1,0,0,0|1,0,0]=3 681 B7R0.3 COC(=O)CCC=O AM20080287 [0,1,1,0,0,0|1,0,1]=4 682 B7R0.3 COC(=O)CCCN AM803145 [0,1,1,0,0,0|1,0,0]=3 683 B7R0.3 COC(=O)CCCS AMY40461 [0,1,1,0,0,0|1,0,0]=3 684 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [0,1,1,0,0,0|1,0,1]=4 685 B7R0.5 CC(C)C(=O)CC#N AM20090390 [0,1,1,0,0,0|1,0,1]=4 686 B7R0.5 CC(C)C(=O)OCCl AMY4056 [0,1,1,0,0,0|2,0,0]=4 687 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,1,1,0,0,0|1,0,1]=4 688 B7R0.5 CCOC(=O)C(C)=O AMY40824 [0,1,1,0,0,0|1,0,1]=4 689 B7R0.5 CCOC(=O)C(F)F AM20100159 [0,1,1,0,0,0|2,0,0]=4 690 B7R0.5 CCOC(=O)N(C)C AMY39284 [0,1,1,0,0,0|2,0,0]=4 691 B7R0.5 CCOC(=O)[C@@H](F)Br AM61520 [0,1,1,0,0,0|2,0,0]=4 692 B7R0.5 CCOC(=O)[C@@H](F)Cl AMY3056 [0,1,1,0,0,0|2,0,0]=4 693 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,1,1,0,0,0|1,0,0]=3 694 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,1,1,0,0,0|1,0,0]=3 695 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,1,1,0,0,0|1,0,0]=3 696 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,1,1,0,0,0|1,0,0]=3 697 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,1,1,0,0,0|1,0,0]=3 698 B7R0.7 C=C(OCC)OCC AM9861 [0,1,1,0,0,0|2,0,0]=4 699 B7R0.7 C=CCC(=O)OCC AMY30553 [0,1,1,0,0,0|0,0,2]=4 700 B7R0.7 CC#CC(=O)OCC AM86969 [0,1,1,0,0,0|0,0,2]=4 701 B7R0.7 CCCC(=O)CCC AMY3807 [0,1,1,0,0,0|0,0,0]=2 702 B7R0.7 CCCC(N)CCC AMY3864 [0,1,1,0,0,0|1,0,1]=4 703 B7R0.7 CCCC(O)CCC AMY23531 [0,1,1,0,0,0|0,0,2]=4 704 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,1,1,0,0,0|1,0,1]=4 705 B7R0.7 CCNC(=O)NCC AMY25735 [0,1,1,0,0,0|1,0,0]=3 706 B7R0.7 CCOC(=O)CC=O AMY18659 [0,1,1,0,0,0|1,0,1]=4 707 B7R0.7 CCOC(=O)CCN AM803889 [0,1,1,0,0,0|1,0,0]=3 708 B7R0.7 CCOC(=O)CCO AMY20483 [0,1,1,0,0,0|1,0,0]=3 709 B7R0.7 CCOC(=O)CNC AM82644 [0,1,1,0,0,0|1,0,0]=3 710 B7R0.7 CCOC(=O)CNC AMY3815 [0,1,1,0,0,0|1,0,0]=3 711 B7R0.7 CCOC(=O)CNN AM20100649 [0,1,1,0,0,0|2,0,0]=4 712 B7R0.7 CCOC(=O)COC AMY3969 [0,1,1,0,0,0|1,0,0]=3 713 B7R0.7 CCOC(=O)CSC AMY33462 [0,1,1,0,0,0|1,0,0]=3 714 B7R0.7 CCOC(=O)OCC AMY11101 [0,1,1,0,0,0|1,0,0]=3 715 B7R0.7 CCOC(=O)OCCl AMY14438 [0,1,1,0,0,0|2,0,0]=4 716 B7R0.7 CCOS(=O)OCC AMY17996 [0,1,1,0,0,0|2,0,0]=4 717 B7R0.7 O=C(CCCl)CCCl AMY9352 [0,1,1,0,0,0|1,0,0]=3 718 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [0,1,1,0,0,0|1,0,1]=4 719 B7R0.10 CCC(=O)N(C)OC AM90011 [0,1,1,0,0,0|2,0,0]=4 720 B7R0.10 CCN(C)C(=O)CBr AM803019 [0,1,1,0,0,0|2,0,0]=4 721 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,1,1,0,0,0|1,0,0]=3 722 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [0,1,1,0,0,0|1,0,0]=3 723 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,1,1,0,0,0|1,0,0]=3 724 B7R0.10 CNC(=O)[C@@H](N)CO AM86003 [0,1,1,0,0,0|2,0,0]=4 725 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [0,1,1,0,0,0|2,0,0]=4 726 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [0,1,1,0,0,0|2,0,0]=4 727 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [0,1,1,0,0,0|2,0,0]=4 728 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [0,1,1,0,0,0|2,0,0]=4 729 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [0,1,1,0,0,0|2,0,0]=4 730 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [0,1,1,0,0,0|2,0,0]=4 731 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [0,1,1,0,0,0|2,0,0]=4 732 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [0,1,1,0,0,0|2,0,0]=4 733 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [0,1,1,0,0,0|2,0,0]=4 734 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [0,1,1,0,0,0|2,0,0]=4 735 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,1,1,0,0,0|2,0,0]=4 736 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,1,1,0,0,0|2,0,0]=4 737 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [0,1,1,0,0,0|2,0,0]=4 738 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [0,1,1,0,0,0|2,0,0]=4 739 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [0,1,1,0,0,0|2,0,0]=4 740 B7R0.11 CCCS(=O)(=O)OC AMY7723 [0,1,1,0,0,0|2,0,0]=4 741 B7R0.12 CCCN(CC)CC AMY13337 [0,1,1,0,0,0|2,0,0]=4 742 B7R0.4 C#CCCCC(=O)O AM81010 [0,1,1,0,0,0|1,0,1]=4 743 B7R0.4 C=CCCCC(=O)O AMY759 [0,1,1,0,0,0|1,0,1]=4 744 B7R0.4 CC(=O)CCCCCl AM90172 [0,1,1,0,0,0|0,0,0]=2 745 B7R0.4 CC(=O)NCCCN AMY36360 [0,1,1,0,0,0|1,0,0]=3 746 B7R0.4 CCCCC[C@@H](C)O AMY25723 [0,1,1,0,0,0|0,0,2]=4 747 B7R0.4 CCCCC[C@H](C)N AMY3809 [0,1,1,0,0,0|1,0,1]=4 748 B7R0.4 CCCCOC(C)=O AMY11075 [0,1,1,0,0,0|0,0,0]=2 749 B7R0.4 CCCOCC(=O)O AMY4018 [0,1,1,0,0,0|1,0,0]=3 750 B7R0.4 CN(C)CCCCN AMY31964 [0,1,1,0,0,0|2,0,0]=4 751 B7R0.4 CN(C)CCCCO AMY9644 [0,1,1,0,0,0|2,0,0]=4 752 B7R0.4 CNCCCC(=O)O AMY5046 [0,1,1,0,0,0|1,0,0]=3 753 B7R0.4 CNCCCN(C)C AMY28735 [0,1,1,0,0,0|2,0,0]=4 754 B7R0.4 CNCCOC(C)=O AMY15057 [0,1,1,0,0,0|1,0,0]=3 755 B7R0.4 COCCCN(C)C AMY1821 [0,1,1,0,0,0|2,0,0]=4 756 B7R0.4 N#CCCCC(=O)O AMY16028 [0,1,1,0,0,0|1,0,1]=4 757 B7R0.4 NC(=O)COCCCl AMY17904 [0,1,1,0,0,0|2,0,0]=4 758 B7R0.4 NCCCCC(=O)O AM82459 [0,1,1,0,0,0|1,0,0]=3 759 B7R0.4 NCCCCC(=O)O AMY39227 [0,1,1,0,0,0|1,0,0]=3 760 B7R0.4 O=C(Cl)CCCCBr AM85775 [0,1,1,0,0,0|1,0,0]=3 761 B7R0.4 O=C(Cl)CCCCCl AMY12305 [0,1,1,0,0,0|1,0,0]=3 762 B7R0.4 O=C(O)CCCCBr AM85660 [0,1,1,0,0,0|1,0,0]=3 763 B7R0.4 O=C(O)CCCCCl AMY40897 [0,1,1,0,0,0|1,0,0]=3 764 B7R0.4 O=C(O)COCCCl AMY28725 [0,1,1,0,0,0|2,0,0]=4 765 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,1,1,0,0,0|1,0,1]=4 766 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,1,1,0,0,0|0,0,1]=3 767 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,1,1,0,0,0|1,0,1]=4 768 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,1,1,0,0,0|1,0,0]=3 769 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [0,1,1,0,0,0|1,0,1]=4 770 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,1,1,0,0,0|2,0,0]=4 771 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,1,1,0,0,0|2,0,0]=4 772 B7R0.6 CN(C)CCC(=O)O AM86616 [0,1,1,0,0,0|2,0,0]=4 773 B7R0.8 CCCCC(C)(O)O AMY1200 [0,1,1,0,0,0|0,0,2]=4 774 B7R0.8 CCCOS(C)(=O)=O AMY3885 [0,1,1,0,0,0|2,0,0]=4 775 B7R0.8 CS(=O)(=O)CCCO AMY42220 [0,1,1,0,0,0|2,0,0]=4 776 B7R0.1 BrCCCCCCBr AMY11215 [0,1,1,0,0,0|1,0,1]=4 777 B7R0.1 C#CCCCCCC AMY25742 [0,1,1,0,0,0|1,0,1]=4 778 B7R0.1 C=CCCCCC=C AMY22303 [0,1,1,0,0,0|1,0,1]=4 779 B7R0.1 C=CCCCCC=O AMY2455 [0,1,1,0,0,0|0,0,1]=3 780 B7R0.1 C=CCCCCCCl AM85971 [0,1,1,0,0,0|1,0,0]=3 781 B7R0.1 C=CCCCCCO AMY7500 [0,1,1,0,0,0|1,0,0]=3 782 B7R0.1 C=CCCCCNC AMY41147 [0,1,1,0,0,0|1,0,0]=3 783 B7R0.1 CCCCCON=O AMY3989 [0,1,1,0,0,0|1,0,0]=3 784 B7R0.1 CNCCCCNC AMY13612 [0,1,1,0,0,0|2,0,0]=4 785 B7R0.1 ClCCCCCCCl AM84762 [0,1,1,0,0,0|1,0,1]=4 786 B7R0.1 N#CCCCCCBr AMY18606 [0,1,1,0,0,0|1,0,1]=4 787 B7R0.1 NCCCCCCO AMY18359 [0,1,1,0,0,0|0,0,2]=4 788 B7R0.1 NCCCCCCS AMY32225 [0,1,1,0,0,0|0,1,1]=4 789 B7R0.1 OCCCCCCBr AMY2822 [0,1,1,0,0,0|0,0,2]=4 790 B7R0.1 OCCCCCCCl AMY25606 [0,1,1,0,0,0|0,0,2]=4 791 B7R1.1 BrCC1CCCC1 AMY6992 [0,1,0,0,1,0|1,0,1]=4 792 B7R1.1 C=CN1CCCC1 AM85776 [0,1,0,0,1,0|2,0,0]=4 793 B7R1.1 CNC1CCCC1 AMY10584 [0,1,0,0,1,0|1,0,1]=4 794 B7R1.1 N#CN1CCCC1 AMY41640 [0,1,0,0,1,0|2,0,0]=4 795 B7R1.1 NCC1CCCC1 AM20100430 [0,1,0,0,1,0|1,0,1]=4 796 B7R1.1 NCC1CCCC1 AM804123 [0,1,0,0,1,0|1,0,1]=4 797 B7R1.1 NNC1CCCC1 AM803574 [0,1,0,0,1,0|1,0,1]=4 798 B7R1.1 NOC1CCCC1 AMY27645 [0,1,0,0,1,0|0,0,2]=4 799 B7R1.1 O=CC1=CCCC1 AMY30885 [0,1,0,0,1,0|0,0,1]=3 800 B7R1.1 O=CC1CCCC1 AM83284 [0,1,0,0,1,0|0,0,1]=3 801 B7R1.1 O=CN1CCCC1 AMY24174 [0,1,0,0,1,0|1,0,0]=3 802 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,1,0,0,1,0|1,0,1]=4 803 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,1,0,0,1,0|1,0,1]=4 804 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,1,0,0,1,0|1,0,1]=4 805 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,1,0,0,1,0|1,0,1]=4 806 B7R1.1 O=C[C@H]1CCNC1 AM101346 [0,1,0,0,1,0|1,0,1]=4 807 B7R1.1 O=C[C@H]1CCNC1 AM94342 [0,1,0,0,1,0|1,0,1]=4 808 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,1,0,0,1,0|1,0,1]=4 809 B7R1.1 OCC1CCCC1 AM20090579 [0,1,0,0,1,0|0,0,2]=4 810 B7R1.1 ON=C1CCCC1 AM20080131 [0,1,0,0,1,0|0,0,1]=3 811 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,1,0,0,1,0|1,0,0]=3 812 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,1,0,0,1,0|1,0,0]=3 813 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,1,0,0,1,0|2,0,0]=4 814 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,1,0,0,1,0|2,0,0]=4 815 B7R1.2 CN1CC[C@H](Br)C1 AM90549 [0,1,0,0,1,0|2,0,0]=4 816 B7R1.2 CN1CC[C@H](Br)C1 AM95159 [0,1,0,0,1,0|2,0,0]=4 817 B7R1.2 CN1CC[C@H](Br)C1 AM95472 [0,1,0,0,1,0|2,0,0]=4 818 B7R1.2 CN1CC[C@H](Cl)C1 AM90550 [0,1,0,0,1,0|2,0,0]=4 819 B7R1.2 CN1CC[C@H](Cl)C1 AM95465 [0,1,0,0,1,0|2,0,0]=4 820 B7R1.2 CN1CC[C@H](Cl)C1 AM96651 [0,1,0,0,1,0|2,0,0]=4 821 B7R1.2 CN1CC[C@H](I)C1 AM95042 [0,1,0,0,1,0|2,0,0]=4 822 B7R1.2 CN1CC[C@H](I)C1 AM96157 [0,1,0,0,1,0|2,0,0]=4 823 B7R1.2 CN1CC[C@H](I)C1 AM96345 [0,1,0,0,1,0|2,0,0]=4 824 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,1,0,0,1,0|2,0,0]=4 825 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,1,0,0,1,0|2,0,0]=4 826 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,1,0,0,1,0|2,0,0]=4 827 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,1,0,0,1,0|2,0,0]=4 828 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,1,0,0,1,0|2,0,0]=4 829 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,1,0,0,1,0|2,0,0]=4 830 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,0,1,0|1,0,0]=3 831 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,1,0,0,1,0|1,0,0]=3 832 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,0,1,0|0,0,0]=2 833 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,0,1,0|1,0,0]=3 834 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,1,0,0,1,0|1,0,0]=3 835 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,1,0,0,1,0|2,0,0]=4 836 B7R1.2 NC1CCC(O)C1 AMY19619 [0,1,0,0,1,0|0,0,2]=4 837 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,1,0,0,1,0|0,0,2]=4 838 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,1,0,0,1,0|0,0,2]=4 839 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,1,0,0,1,0|1,0,0]=3 840 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,1,0,0,1,0|1,0,0]=3 841 B7R1.2 N[C@H]1CC[C@@H](F)C1 AMY34349 [0,1,0,0,1,0|1,0,1]=4 842 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,1,0,0,1,0|0,0,2]=4 843 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,1,0,0,1,0|0,0,2]=4 844 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,1,0,0,1,0|0,0,2]=4 845 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,1,0,0,1,0|0,0,2]=4 846 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,1,0,0,1,0|1,0,0]=3 847 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,1,0,0,1,0|0,0,2]=4 848 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,1,0,0,1,0|0,0,1]=3 849 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,0,1,0|0,0,0]=2 850 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,1,0,0,1,0|1,0,1]=4 851 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,0,1,0|1,0,0]=3 852 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,0,1,0|1,0,0]=3 853 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,0,1,0|1,0,0]=3 854 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,1,0,0,1,0|1,0,0]=3 855 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,1,0,0,1,0|2,0,0]=4 856 B7R1.2 OC1CCC(O)C1 AMY33501 [0,1,0,0,1,0|0,0,2]=4 857 B7R1.2 [CH][C@H]1CCN(C)C1 AMY4401 [0,1,0,0,1,0|2,0,0]=4 858 B7R1.4 C=C1CCOC1=O AMY7315 [0,1,0,0,1,0|1,0,1]=4 859 B7R1.4 CN1CCCC1=O AM20110252 [0,1,0,0,1,0|1,0,0]=3 860 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,1,0,0,1,0|1,0,0]=3 861 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,1,0,0,1,0|0,0,0]=2 862 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,1,0,0,1,0|1,0,0]=3 863 B7R1.4 NC1CCCC1N AMY40491 [0,1,0,0,1,0|1,0,1]=4 864 B7R1.4 NC1CCCC1O AMY1026 [0,1,0,0,1,0|0,0,2]=4 865 B7R1.4 NN1CCCC1=O AM84704 [0,1,0,0,1,0|1,0,0]=3 866 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,1,0,0,1,0|0,0,2]=4 867 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,1,0,0,1,0|0,0,2]=4 868 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,1,0,0,1,0|1,0,0]=3 869 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,1,0,0,1,0|0,0,2]=4 870 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,1,0,0,1,0|1,0,1]=4 871 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,1,0,0,1,0|0,0,2]=4 872 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,1,0,0,1,0|1,0,0]=3 873 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,1,0,0,1,0|1,0,0]=3 874 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,1,0,0,1,0|1,0,0]=3 875 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,1,0,0,1,0|1,0,0]=3 876 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,1,0,0,1,0|1,0,0]=3 877 B7R1.4 N[C@H]1CONC1=O AM20100628 [0,1,0,0,1,0|2,0,0]=4 878 B7R1.4 O=C1CCCC1=O AMY23435 [0,1,0,0,1,0|0,0,1]=3 879 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,1,0,0,1,0|0,0,0]=2 880 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,1,0,0,1,0|1,0,0]=3 881 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,1,0,0,1,0|1,0,0]=3 882 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,1,0,0,1,0|1,0,0]=3 883 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,1,0,0,1,0|1,0,0]=3 884 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,1,0,0,1,0|0,0,2]=4 885 B7R1.14 CC1(N)CCCC1 AM808157 [0,1,0,0,1,0|1,0,1]=4 886 B7R1.14 CC1(O)CCCC1 AMY25573 [0,1,0,0,1,0|0,0,2]=4 887 B7R1.14 C[Si]1(C)CCCC1 AMY42241 [0,1,0,0,1,0|1,1,0]=4 888 B7R1.14 FC1(F)CCCC1 AMY5924 [0,1,0,0,1,0|1,0,1]=4 889 B7R1.14 O=S1(=O)CCCC1 AMY33385 [0,1,0,0,1,0|1,0,0]=3 890 B7R1.14 O=S1(=O)CCCN1 AMY9120 [0,1,0,0,1,0|2,0,0]=4 891 B9R1.5 CN1CCCNCC1=O AM20100475 [0,1,0,0,0,1|1,0,0]=3 892 B9R1.5 CN1CCCNCC1=O AMY15722 [0,1,0,0,0,1|1,0,0]=3 893 B9R1.5 N[C@@H]1CCCCNC1=O AMY3925 [0,1,0,0,0,1|0,0,0]=2 894 B9R1.5 N[C@H]1CCCCNC1=O AM20090060 [0,1,0,0,0,1|0,0,0]=2 895 B9R1.5 N[C@H]1CCCCNC1=O AM803517 [0,1,0,0,0,1|0,0,0]=2 896 B9R1.48 CN1CCOC[C@@H](N)C1 AM9793 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.48 O=C1CCCCC(=O)C1 AM85496 [0,1,0,0,0,1|0,0,0]=2 898 B9R1.48 O=C1CCCCC(=O)O1 AMY41401 [0,1,0,0,0,1|0,0,1]=3 899 B9R1.49 CN1CCCC(=O)CC1 AM20090140 [0,1,0,0,0,1|0,0,0]=2 900 B9R1.49 CN1CCC[C@H](N)CC1 AM20120348 [0,1,0,0,0,1|1,0,1]=4 901 B9R1.49 CN1CCNC(=O)CC1 AM20120571 [0,1,0,0,0,1|1,0,0]=3 902 B9R1.89 N#C[C@H]1CCCNCC1 AMY35147 [0,1,0,0,0,1|1,0,1]=4 903 B9R1.89 NNC1CCCCCC1 AM9802 [0,1,0,0,0,1|1,0,1]=4 904 B9R1.89 O=CC1CCCCCC1 AMY21681 [0,1,0,0,0,1|0,0,1]=3 905 B9R1.89 OC[C@H]1CCCCNC1 AMY11832 [0,1,0,0,0,1|0,0,2]=4 906 B9R1.148 C[C@]1(O)CCCNCC1 AM806272 [0,1,0,0,0,1|0,0,2]=4 907 B9R1.148 FC1(F)CCCCCC1 AMY5922 [0,1,0,0,0,1|1,0,1]=4 908 B9R1.148 FC1(F)CCCCNC1 AM806465 [0,1,0,0,0,1|1,0,1]=4 909 B9R1.148 FC1(F)CCCNCC1 AM802920 [0,1,0,0,0,1|1,0,1]=4 910 B9R1.148 FC1(F)CCCNCC1 AMY7088 [0,1,0,0,0,1|1,0,1]=4 911 B9R1.1 CC1CCC(CBr)CC1 AM806102 [0,2,0,0,0,0|1,0,1]=4 912 B9R1.1 CC1CCC(CN)CC1 AM803728 [0,2,0,0,0,0|1,0,1]=4 913 B9R1.1 CC1CCC(CO)CC1 AM9715 [0,2,0,0,0,0|0,0,2]=4 914 B9R1.1 CCN1CCC(=O)CC1 AMY5271 [0,2,0,0,0,0|1,0,0]=3 915 B9R1.1 CCN1CCC(N)CC1 AMY6025 [0,2,0,0,0,0|2,0,0]=4 916 B9R1.1 CCN1CCC(O)CC1 AM20090554 [0,2,0,0,0,0|2,0,0]=4 917 B9R1.1 CN1CCC(=NO)CC1 AMY2420 [0,2,0,0,0,0|1,0,1]=4 918 B9R1.1 CN1CCC(=NO)CC1 AMY2421 [0,2,0,0,0,0|1,0,1]=4 919 B9R1.1 CN1CCC(C=O)CC1 AM20100244 [0,2,0,0,0,0|1,0,1]=4 920 B9R1.1 CN1CCC(CBr)CC1 AM90408 [0,2,0,0,0,0|2,0,0]=4 921 B9R1.1 CN1CCC(CCl)CC1 AM804001 [0,2,0,0,0,0|2,0,0]=4 922 B9R1.1 CN1CCC(CI)CC1 AM10545 [0,2,0,0,0,0|2,0,0]=4 923 B9R1.1 CN1CCC(CI)CC1 AM95043 [0,2,0,0,0,0|2,0,0]=4 924 B9R1.1 CN1CCC(CN)CC1 AM20100677 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.1 CN1CCC(CO)CC1 AM20090164 [0,2,0,0,0,0|2,0,0]=4 926 B9R1.1 CN1CCC(NN)CC1 AM20100258 [0,2,0,0,0,0|2,0,0]=4 927 B9R1.1 CN1CCN(C=O)CC1 AM87173 [0,2,0,0,0,0|2,0,0]=4 928 B9R1.1 CNC1CCC(=O)CC1 AMY202100013 [0,2,0,0,0,0|0,0,0]=2 929 B9R1.1 CNC1CCC(O)CC1 AMY18670 [0,2,0,0,0,0|0,0,2]=4 930 B9R1.1 CNC1CCN(C)CC1 AM20100708 [0,2,0,0,0,0|2,0,0]=4 931 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 AMY34073 [0,2,0,0,0,0|0,0,2]=4 932 B9R1.1 CN[C@H]1CC[C@H](O)CC1 AMY34313 [0,2,0,0,0,0|0,0,2]=4 933 B9R1.1 COC1=CC[C@@H](O)CC1 AMY23663 [0,2,0,0,0,0|0,0,2]=4 934 B9R1.1 COC1CCC(=O)CC1 AMY3589 [0,2,0,0,0,0|0,0,0]=2 935 B9R1.1 COC1CCC(N)CC1 AMY32258 [0,2,0,0,0,0|0,0,2]=4 936 B9R1.1 COC1CCC(N)CC1 AMY32279 [0,2,0,0,0,0|0,0,2]=4 937 B9R1.1 CO[C@H]1CC[C@H](N)CC1 AMY21463 [0,2,0,0,0,0|0,0,2]=4 938 B9R1.1 CO[C@H]1CC[C@H](N)CC1 AMY3261 [0,2,0,0,0,0|0,0,2]=4 939 B9R1.1 N#CC1CCC(=O)CC1 AMY20357 [0,2,0,0,0,0|0,0,0]=2 940 B9R1.1 N#CC1CCC(O)CC1 AM20070474 [0,2,0,0,0,0|0,0,2]=4 941 B9R1.1 NC[C@H]1CCC(=O)NC1 AMY33863 [0,2,0,0,0,0|1,0,0]=3 942 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 AMY35195 [0,2,0,0,0,0|0,0,2]=4 943 B9R1.1 NC[C@H]1CC[C@H](O)CC1 AMY34305 [0,2,0,0,0,0|0,0,2]=4 944 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AM84270 [0,2,0,0,0,0|0,0,2]=4 945 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AMY34311 [0,2,0,0,0,0|0,0,2]=4 946 B9R1.1 O=C1CCC(CO)CC1 AMY9066 [0,2,0,0,0,0|0,0,0]=2 947 B9R1.1 O=C1CO[C@@H](CO)CN1 AMY21703 [0,2,0,0,0,0|2,0,0]=4 948 B9R1.1 O=CC1CCC(=O)CC1 AMY10974 [0,2,0,0,0,0|0,0,0]=2 949 B9R1.1 OCC1CCC(O)CC1 AMY36580 [0,2,0,0,0,0|0,0,2]=4 950 B9R1.1 OC[C@H]1CC[C@H](O)CC1 AM9734 [0,2,0,0,0,0|0,0,2]=4 951 B9R1.2 CC1CCCC(CN)C1 AM806484 [0,2,0,0,0,0|1,0,1]=4 952 B9R1.2 CCN1CCC[C@H](O)C1 AM20080247 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.2 CN1CCC[C@H](C=O)C1 AM101782 [0,2,0,0,0,0|1,0,1]=4 954 B9R1.2 CN1CCC[C@H](CBr)C1 AM100805 [0,2,0,0,0,0|2,0,0]=4 955 B9R1.2 CN1CCC[C@H](CCl)C1 AM100910 [0,2,0,0,0,0|2,0,0]=4 956 B9R1.2 CN1CCC[C@H](CI)C1 AM90511 [0,2,0,0,0,0|2,0,0]=4 957 B9R1.2 CN1CCC[C@H](CN)C1 AM20080350 [0,2,0,0,0,0|2,0,0]=4 958 B9R1.2 CN1CCC[C@H](CO)C1 AM20100739 [0,2,0,0,0,0|2,0,0]=4 959 B9R1.2 CN[C@H]1CCCN(C)C1 AM100840 [0,2,0,0,0,0|2,0,0]=4 960 B9R1.2 CN[C@H]1CCCN(C)C1 AM91855 [0,2,0,0,0,0|2,0,0]=4 961 B9R1.2 CN[C@H]1CCCN(C)C1 AM96046 [0,2,0,0,0,0|2,0,0]=4 962 B9R1.2 COC1CCCC(O)C1 AMY34868 [0,2,0,0,0,0|0,0,2]=4 963 B9R1.2 NCC1CCCC(O)C1 AM20070448 [0,2,0,0,0,0|0,0,2]=4 964 B9R1.2 NC[C@H]1CCNC(=O)C1 AM803060 [0,2,0,0,0,0|1,0,0]=3 965 B9R1.2 O=C1CCC[C@@H](CO)N1 AMY16344 [0,2,0,0,0,0|1,0,0]=3 966 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,2,0,0,0,0|0,0,0]=2 967 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16343 [0,2,0,0,0,0|1,0,0]=3 968 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16345 [0,2,0,0,0,0|1,0,0]=3 969 B9R1.2 O=C1COC[C@H](CO)N1 AMY21702 [0,2,0,0,0,0|2,0,0]=4 970 B9R1.6 CC(=O)C1CCCCC1 AM20070516 [0,2,0,0,0,0|0,0,1]=3 971 B9R1.6 CC(=O)C1CCNCC1 AM20090433 [0,2,0,0,0,0|1,0,1]=4 972 B9R1.6 CC(=O)C1CCNCC1 AMY40616 [0,2,0,0,0,0|1,0,1]=4 973 B9R1.6 CC(=O)C1CCOCC1 AM803183 [0,2,0,0,0,0|1,0,1]=4 974 B9R1.6 CC(=O)N1CCNCC1 AM20080291 [0,2,0,0,0,0|2,0,0]=4 975 B9R1.6 CC(=O)N1CCOCC1 AMY10034 [0,2,0,0,0,0|2,0,0]=4 976 B9R1.6 CC(=O)[C@@H]1CCCCN1 AM20120390 [0,2,0,0,0,0|1,0,1]=4 977 B9R1.6 CC(=O)[C@H]1CCCNC1 AM20100792 [0,2,0,0,0,0|1,0,1]=4 978 B9R1.6 CC(C)=C1CCOCC1 AMY6092 [0,2,0,0,0,0|2,0,0]=4 979 B9R1.6 C[C@H](N)C1CCCCC1 AM804025 [0,2,0,0,0,0|1,0,1]=4 980 B9R1.6 C[C@H](N)C1CCCCC1 AM81440 [0,2,0,0,0,0|1,0,1]=4 981 B9R1.6 C[C@H](N)C1CCCCC1 AM81441 [0,2,0,0,0,0|1,0,1]=4 982 B9R1.6 NC(=O)C1CCNCC1 AM20100043 [0,2,0,0,0,0|1,0,1]=4 983 B9R1.6 NC(=O)C1CCOCC1 AM20090538 [0,2,0,0,0,0|1,0,1]=4 984 B9R1.6 NC(=O)[C@@H]1CCCCN1 AMY5796 [0,2,0,0,0,0|1,0,1]=4 985 B9R1.6 NC(=O)[C@H]1CCCNC1 AM20100097 [0,2,0,0,0,0|1,0,1]=4 986 B9R1.6 O=C(Cl)C1CCOCC1 AM20100067 [0,2,0,0,0,0|1,0,1]=4 987 B9R1.6 O=C(Cl)N1CCOCC1 AMY9689 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.6 O=C(O)C1=CCCCC1 AMY12562 [0,2,0,0,0,0|0,0,1]=3 989 B9R1.6 O=C(O)C1=CCCCO1 AMY25035 [0,2,0,0,0,0|1,0,1]=4 990 B9R1.6 O=C(O)C1=CCCNC1 AMY32578 [0,2,0,0,0,0|1,0,1]=4 991 B9R1.6 O=C(O)C1=CCNCC1 AMY32016 [0,2,0,0,0,0|1,0,1]=4 992 B9R1.6 O=C(O)C1CCCCC1 AM20070525 [0,2,0,0,0,0|0,0,1]=3 993 B9R1.6 O=C(O)C1CCNCC1 AM20100215 [0,2,0,0,0,0|1,0,1]=4 994 B9R1.6 O=C(O)C1CCOCC1 AM1056 [0,2,0,0,0,0|1,0,1]=4 995 B9R1.6 O=C(O)C1CCSCC1 AM804512 [0,2,0,0,0,0|1,0,1]=4 996 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20090026 [0,2,0,0,0,0|1,0,1]=4 997 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20100254 [0,2,0,0,0,0|1,0,1]=4 998 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM803674 [0,2,0,0,0,0|1,0,1]=4 999 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM90343 [0,2,0,0,0,0|1,0,1]=4 1000 B9R1.6 O=C(O)[C@@H]1CCCCO1 AM20100266 [0,2,0,0,0,0|1,0,1]=4 1001 B9R1.6 O=C(O)[C@@H]1CCCCO1 AMY34469 [0,2,0,0,0,0|1,0,1]=4 1002 B9R1.6 O=C(O)[C@H]1CCCCO1 AMY34375 [0,2,0,0,0,0|1,0,1]=4 1003 B9R1.6 O=C(O)[C@H]1CCCNC1 AM20090295 [0,2,0,0,0,0|1,0,1]=4 1004 B9R1.6 O=C(O)[C@H]1CCCNC1 AM20100216 [0,2,0,0,0,0|1,0,1]=4 1005 B9R1.6 O=C(O)[C@H]1CCCNC1 AM83087 [0,2,0,0,0,0|1,0,1]=4 1006 B9R1.6 O=C(O)[C@H]1CCCNC1 AMY4228 [0,2,0,0,0,0|1,0,1]=4 1007 B9R1.6 O=C(O)[C@H]1CCCOC1 AM20110254 [0,2,0,0,0,0|1,0,1]=4 1008 B9R1.6 O=C(O)[C@H]1CCCSC1 AMY34285 [0,2,0,0,0,0|1,0,1]=4 1009 B9R1.6 OB(O)C1=CCCCC1 AMY980 [0,2,0,0,0,0|0,0,2]=4 1010 B9R1.6 OB(O)C1CCCCC1 AM20070527 [0,2,0,0,0,0|0,0,2]=4 1011 B9R1.8 C#CCN1CCCCC1 AMY23781 [0,2,0,0,0,0|2,0,0]=4 1012 B9R1.8 CCNC1CCCCC1 AM20070548 [0,2,0,0,0,0|1,0,1]=4 1013 B9R1.8 CNCC1CCCCC1 AM803595 [0,2,0,0,0,0|1,0,1]=4 1014 B9R1.8 ClCCN1CCCCC1 AM20090146 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.8 NCCC1=CCCCC1 AMY14247 [0,2,0,0,0,0|1,0,1]=4 1016 B9R1.8 NCCC1CCCCC1 AMY38665 [0,2,0,0,0,0|1,0,1]=4 1017 B9R1.8 NCCN1CCCCC1 AMY5277 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.8 NNCC1CCCCC1 AMY202003293 [0,2,0,0,0,0|1,0,1]=4 1019 B9R1.8 O=C=NC1CCCCC1 AMY37189 [0,2,0,0,0,0|0,0,1]=3 1020 B9R1.8 O=CCC1CCCCC1 AMY24044 [0,2,0,0,0,0|0,0,1]=3 1021 B9R1.8 O=CCC1CCOCC1 AM101094 [0,2,0,0,0,0|1,0,1]=4 1022 B9R1.8 O=CCN1CCOCC1 AMY38330 [0,2,0,0,0,0|2,0,0]=4 1023 B9R1.8 OCCN1CCCCC1 AMY9422 [0,2,0,0,0,0|1,0,1]=4 1024 B9R1.15 CCC1CCCCC1O AM20070485 [0,2,0,0,0,0|0,0,2]=4 1025 B9R1.15 CN1CCCC[C@@H]1CN AMY21400 [0,2,0,0,0,0|2,0,0]=4 1026 B9R1.15 CN1CCCC[C@@H]1CO AM20090174 [0,2,0,0,0,0|2,0,0]=4 1027 B9R1.15 CN1CCCC[C@H]1C=O AM100803 [0,2,0,0,0,0|1,0,1]=4 1028 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY928 [0,2,0,0,0,0|0,0,2]=4 1029 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY929 [0,2,0,0,0,0|0,0,2]=4 1030 B9R1.15 CO[C@H]1CCCNC1=O AM20090301 [0,2,0,0,0,0|1,0,0]=3 1031 B9R1.15 CO[C@H]1COCCC1=O AMY33743 [0,2,0,0,0,0|1,0,0]=3 1032 B9R1.15 N#C[C@H]1CNCCC1=O AMY33722 [0,2,0,0,0,0|1,0,0]=3 1033 B9R1.15 O=CC1=C(Cl)CCCC1 AM807088 [0,2,0,0,0,0|0,0,1]=3 1034 B9R1.15 O=C[C@@H]1CCCCC1=O AM9963 [0,2,0,0,0,0|0,0,0]=2 1035 B9R1.118 C#CC1(O)CCCCC1 AMY37050 [0,2,0,0,0,0|0,0,2]=4 1036 B9R1.118 CC1(C=O)CCCCC1 AM20070501 [0,2,0,0,0,0|0,0,1]=3 1037 B9R1.118 CC1(CN)CCCCC1 AM803830 [0,2,0,0,0,0|1,0,1]=4 1038 B9R1.118 NCC1(F)CCCCC1 AM806258 [0,2,0,0,0,0|1,0,1]=4 1039 B9R1.10 CC1(Br)CCC(Br)CC1 AMY20735 [0,2,0,0,0,0|1,0,1]=4 1040 B9R1.10 CC1(C)C=CC(=O)CC1 AM84327 [0,2,0,0,0,0|0,0,2]=4 1041 B9R1.10 CC1(C)CCC(=O)CC1 AMY1271 [0,2,0,0,0,0|0,0,0]=2 1042 B9R1.10 CC1(C)CCC(N)CC1 AM20070475 [0,2,0,0,0,0|1,0,1]=4 1043 B9R1.10 CC1(C)CCC(O)CC1 AMY1256 [0,2,0,0,0,0|0,0,2]=4 1044 B9R1.10 CC1(C)OCC(=O)CO1 AM20100719 [0,2,0,0,0,0|2,0,0]=4 1045 B9R1.10 CC1(O)CCC(=O)CC1 AMY202100039 [0,2,0,0,0,0|0,0,0]=2 1046 B9R1.10 CC1(O)CCC(N)CC1 AM803369 [0,2,0,0,0,0|0,0,2]=4 1047 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 AMY36950 [0,2,0,0,0,0|0,0,2]=4 1048 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 AMY35189 [0,2,0,0,0,0|0,0,2]=4 1049 B9R1.10 C[N+]1(C)CCC(=O)CC1 AM20090330 [0,2,0,0,0,0|1,0,0]=3 1050 B9R1.10 FC1(F)CCC(Br)CC1 AMY34931 [0,2,0,0,0,0|1,0,1]=4 1051 B9R1.10 NC1CCC(F)(F)CC1 AM84937 [0,2,0,0,0,0|1,0,1]=4 1052 B9R1.10 NC1CCC(F)(F)CC1 AMY1249 [0,2,0,0,0,0|1,0,1]=4 1053 B9R1.10 NC1CCS(=O)(=O)CC1 AM20080113 [0,2,0,0,0,0|1,0,0]=3 1054 B9R1.10 NC1CCS(=O)(=O)CC1 AMY3185 [0,2,0,0,0,0|1,0,0]=3 1055 B9R1.10 O=C1CCC(F)(F)CC1 AM20070471 [0,2,0,0,0,0|0,0,0]=2 1056 B9R1.10 O=C1CCS(=O)(=O)CC1 AM20090038 [0,2,0,0,0,0|1,0,0]=3 1057 B9R1.10 OC1CCC(F)(F)CC1 AMY1245 [0,2,0,0,0,0|0,0,2]=4 1058 B9R1.69 CC1CC(=O)CCC1O AM806654 [0,2,0,0,0,0|0,0,0]=2 1059 B9R1.69 CN1CCC(=O)CC1=O AMY20080 [0,2,0,0,0,0|1,0,1]=4 1060 B9R1.69 C[C@H]1CN(C)CCC1=O AM20120623 [0,2,0,0,0,0|1,0,0]=3 1061 B9R1.69 N[C@H]1CCC(=O)NC1=O AM20090686 [0,2,0,0,0,0|1,0,1]=4 1062 B9R1.69 N[C@H]1CCC(=O)NC1=O AM84858 [0,2,0,0,0,0|1,0,1]=4 1063 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 AMY27374 [0,2,0,0,0,0|1,0,1]=4 1064 B9R1.3 CC1C(=O)CCCC1=O AMY18839 [0,2,0,0,0,0|0,0,1]=3 1065 B9R1.3 CC1COCC(C)C1=O AM101044 [0,2,0,0,0,0|1,0,0]=3 1066 B9R1.3 CC1OCCC(=O)C1C AMY6076 [0,2,0,0,0,0|1,0,0]=3 1067 B9R1.3 CN1C(=O)CCCC1=O AMY15075 [0,2,0,0,0,0|1,0,1]=4 1068 B9R1.3 CN1CCCN(C)C1=O AMY12538 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.3 O=C1CCCC(=O)C1Br AM804114 [0,2,0,0,0,0|0,0,1]=3 1070 B9R1.3 O=C1CCCC(O)=C1F AMY34748 [0,2,0,0,0,0|0,0,2]=4 1071 B9R1.34 CC1CC(=O)CC(=O)C1 AMY3042 [0,2,0,0,0,0|0,0,1]=3 1072 B9R1.34 CC1CC(=O)OC(=O)C1 AMY3983 [0,2,0,0,0,0|1,0,1]=4 1073 B9R1.34 CC1CC(C)CC(O)C1 AM9723 [0,2,0,0,0,0|0,0,2]=4 1074 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 AMY35788 [0,2,0,0,0,0|1,0,0]=3 1075 B9R1.66 CC1(C)CC(=O)CCO1 AM20080139 [0,2,0,0,0,0|1,0,0]=3 1076 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,2,0,0,0,0|0,0,0]=2 1077 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,2,0,0,0,0|1,0,0]=3 1078 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,2,0,0,0,0|1,0,0]=3 1079 B9R1.66 N[C@H]1CCCC(F)(F)C1 AM804552 [0,2,0,0,0,0|1,0,1]=4 1080 B9R1.40 CC1(C)CNCCC1=O AMY37722 [0,2,0,0,0,0|1,0,0]=3 1081 B9R1.40 CC1(C)COCCC1=O AMY6085 [0,2,0,0,0,0|1,0,0]=3 1082 B9R1.40 CC1(C)NCCNC1=O AM20090220 [0,2,0,0,0,0|2,0,0]=4 1083 B9R1.40 N[C@@H]1CCCCC1(F)F AMY34324 [0,2,0,0,0,0|1,0,1]=4 1084 B9R1.40 O=C1CCNCC1(F)F AMY14717 [0,2,0,0,0,0|1,0,0]=3 1085 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,0,1,1,0,0|0,0,0]=2 1086 B7R1.22 COC(=O)C1CC1 AM20090368 [0,0,1,1,0,0|1,0,0]=3 1087 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,0,1,1,0,0|2,0,0]=4 1088 B7R1.22 COC(=O)[C@@H]1CO1 AMY42223 [0,0,1,1,0,0|2,0,0]=4 1089 B7R1.22 COC(=O)[C@H]1CO1 AMY31968 [0,0,1,1,0,0|2,0,0]=4 1090 B7R1.22 NNC(=O)C1CC1 AM20100651 [0,0,1,1,0,0|2,0,0]=4 1091 B7R1.22 O=C(CBr)C1CC1 AM87146 [0,0,1,1,0,0|1,0,0]=3 1092 B7R1.22 O=CC(=O)C1CC1 AM87069 [0,0,1,1,0,0|1,0,1]=4 1093 B7R1.12 CC1CC1C(=O)O AM803649 [0,0,1,1,0,0|1,0,0]=3 1094 B7R1.12 CC1CC1C(N)=O AMY5644 [0,0,1,1,0,0|1,0,0]=3 1095 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,0,1,1,0,0|1,0,0]=3 1096 B7R1.12 O=C(O)C1CC1F AMY5778 [0,0,1,1,0,0|2,0,0]=4 1097 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [0,0,1,1,0,0|2,0,0]=4 1098 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [0,0,1,1,0,0|2,0,0]=4 1099 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [0,0,1,1,0,0|2,0,0]=4 1100 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [0,0,1,1,0,0|2,0,0]=4 1101 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [0,0,1,1,0,0|2,0,0]=4 1102 B7R1.18 C[C@@H](N)C1CCC1 AM807006 [0,0,1,1,0,0|1,0,1]=4 1103 B7R1.18 C[C@H](N)C1CCC1 AM807007 [0,0,1,1,0,0|1,0,1]=4 1104 B7R1.18 C[C@H](N)C1CCC1 AM807008 [0,0,1,1,0,0|1,0,1]=4 1105 B7R1.18 C[C@H](O)C1CCC1 AMY16099 [0,0,1,1,0,0|0,0,2]=4 1106 B7R1.18 NC(=O)C1CCC1 AMY32785 [0,0,1,1,0,0|1,0,0]=3 1107 B7R1.18 NC(=O)C1CNC1 AM20100716 [0,0,1,1,0,0|2,0,0]=4 1108 B7R1.18 NC(=O)C1CNC1 AMY34027 [0,0,1,1,0,0|2,0,0]=4 1109 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [0,0,1,1,0,0|2,0,0]=4 1110 B7R1.18 O=C(O)C1CCC1 AM62800 [0,0,1,1,0,0|1,0,0]=3 1111 B7R1.18 O=C(O)C1CNC1 AM20090582 [0,0,1,1,0,0|2,0,0]=4 1112 B7R1.18 O=C(O)C1CNC1 AMY4825 [0,0,1,1,0,0|2,0,0]=4 1113 B7R1.18 O=C(O)C1COC1 AM84264 [0,0,1,1,0,0|2,0,0]=4 1114 B7R1.18 O=C(O)C1CSC1 AM20100754 [0,0,1,1,0,0|2,0,0]=4 1115 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [0,0,1,1,0,0|2,0,0]=4 1116 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [0,0,1,1,0,0|2,0,0]=4 1117 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [0,0,1,1,0,0|2,0,0]=4 1118 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [0,0,1,1,0,0|2,0,0]=4 1119 B7R1.18 O=[N+]([O-])C1CCC1 AMY18168 [0,0,1,1,0,0|2,0,0]=4 1120 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,0,1,1,0,0|0,0,0]=2 1121 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,0,1,1,0,0|1,0,0]=3 1122 B7R2.13 C1CC2CC2N1 AM803615 [1,0,0,1,0,0|1,0,0]=3 1123 B7R2.13 C1CC2OC2C1 AM20090363 [1,0,0,1,0,0|1,0,0]=3 1124 B7R2.13 C1NCC2CC12 AM803636 [1,0,0,1,0,0|1,0,0]=3 1125 B7R2.13 C1NCC2CC12 AMY5587 [1,0,0,1,0,0|1,0,0]=3 1126 B9R2.7 O=C1CC2CC=CC12 AMY16601 [0,0,0,1,0,1|0,0,1]=3 1127 B9R2.7 O=C1C[C@H]2C=CC[C@@H]12 AMY16788 [0,0,0,1,0,1|0,0,1]=3 1128 B9R2.33 CN1C[C@H]2CN[C@H]2C1 AMY35683 [0,0,0,1,0,1|2,0,0]=4 1129 B9R2.68 C1CC2CCC(C1)N2 AMY35137 [0,0,0,1,0,1|1,0,1]=4 1130 B9R2.68 C1CC2CNCC1C2 AMY42503 [0,0,0,1,0,1|1,0,1]=4 1131 B9R2.68 C1CC2CNCC1O2 AM20100352 [0,0,0,1,0,1|0,0,2]=4 1132 B9R2.68 C1CC2COCC1N2 AM85961 [0,0,0,1,0,1|1,0,1]=4 1133 B9R2.68 C1CC2CSCC1N2 AMY35827 [0,0,0,1,0,1|1,0,1]=4 1134 B9R2.68 C1C[C@@H]2COC[C@H]1N2 AMY36412 [0,0,0,1,0,1|1,0,1]=4 1135 B9R2.68 C1C[C@@H]2COC[C@H]1N2 AMY5711 [0,0,0,1,0,1|1,0,1]=4 1136 B9R2.49 C1CC2CCC1CN2 AMY5586 [0,1,0,1,0,0|1,0,1]=4 1137 B9R2.49 C1CN2CCC1CC2 AMY22548 [0,1,0,1,0,0|2,0,0]=4 1138 B9R2.65 O=C[C@@H]1[C@H]2COC[C@H]21 AMY35684 [0,1,0,1,0,0|1,0,1]=4 1139 B9R2.19 O=C1NCC2CC1N2 AM806533 [0,1,0,1,0,0|1,0,0]=3 1140 B9R2.8 CN1CC2CC(C1)N2 AMY34873 [0,1,0,1,0,0|2,0,0]=4 1141 B9R2.25 O=C1OC(=O)C2CC12 AM20100382 [0,1,0,1,0,0|1,0,1]=4 1142 B9R2.39 BrC1CC2CCC1C2 AMY19483 [0,1,0,1,0,0|1,0,1]=4 1143 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AMY28609 [0,1,0,1,0,0|1,0,1]=4 1144 B9R2.39 O=C1CC2CCC1C2 AMY10402 [0,1,0,1,0,0|0,0,0]=2 1145 B9R2.39 O=C1CN2CCC1C2 AM20080170 [0,1,0,1,0,0|1,0,0]=3 1146 B9R2.39 O=C1CN2CCC1C2 AM20090192 [0,1,0,1,0,0|1,0,0]=3 1147 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 AMY35676 [0,1,0,1,0,0|0,0,2]=4 1148 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 AMY35669 [0,1,0,1,0,0|0,0,2]=4 1149 B5R1.1 C1=CCNC1 AM20100570 [1,0,0,0,1,0|1,0,1]=4 1150 B5R1.1 C1=CCNC1 AM9928 [1,0,0,0,1,0|1,0,1]=4 1151 B5R1.1 C1=CCOC1 AM81814 [1,0,0,0,1,0|1,0,1]=4 1152 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,0,1,0|1,0,1]=4 1153 B5R1.1 C1CCNC1 AMY10044 [1,0,0,0,1,0|1,0,0]=3 1154 B5R1.1 C1CCOC1 AMY11079 [1,0,0,0,1,0|1,0,0]=3 1155 B5R1.1 C1CCOC1 AMY14809 [1,0,0,0,1,0|1,0,0]=3 1156 B5R1.1 C1CCOC1 AMY14877 [1,0,0,0,1,0|1,0,0]=3 1157 B5R1.1 C1CNNC1 AMY28694 [1,0,0,0,1,0|2,0,0]=4 1158 B5R1.1 C1CNOC1 AM803837 [1,0,0,0,1,0|2,0,0]=4 1159 B5R1.1 C1COCN1 AMY42397 [1,0,0,0,1,0|2,0,0]=4 1160 B5R1.1 C1CSCN1 AMY40189 [1,0,0,0,1,0|2,0,0]=4 1161 B5R1.2 BrC1CCC1 AM803913 [0,0,0,0,2,0|1,0,1]=4 1162 B5R1.2 ClC1CCC1 AMY6175 [0,0,0,0,2,0|1,0,1]=4 1163 B5R1.2 IC1CCC1 AMY6180 [0,0,0,0,2,0|1,0,1]=4 1164 B5R1.2 NC1CCC1 AMY2668 [0,0,0,0,2,0|1,0,1]=4 1165 B5R1.2 NC1CCC1 AMY6177 [0,0,0,0,2,0|1,0,1]=4 1166 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,0,2,0|0,0,0]=2 1167 B5R1.2 O=C1CCN1 AMY18291 [0,0,0,0,2,0|1,0,0]=3 1168 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,0,2,0|1,0,0]=3 1169 B5R1.2 O=C1CNC1 AM20090048 [0,0,0,0,2,0|1,0,0]=3 1170 B5R1.2 O=C1CNC1 AM20100329 [0,0,0,0,2,0|1,0,0]=3 1171 B5R1.2 O=C1COC1 AM20020042 [0,0,0,0,2,0|1,0,0]=3 1172 B5R1.2 O=C1CSC1 AM20090216 [0,0,0,0,2,0|1,0,0]=3 1173 B5R1.2 OC1CCC1 AM803645 [0,0,0,0,2,0|0,0,2]=4 1174 B9R1.50 NC1CCCCCCC1 AMY14314 [0,0,0,0,0,2|1,0,1]=4 1175 B9R1.50 O=C1CCCCCCC1 AMY3996 [0,0,0,0,0,2|0,0,0]=2 1176 B9R1.50 O=C1CCCCCCN1 AM20100621 [0,0,0,0,0,2|0,0,0]=2 1177 B9R1.50 OC1CCCCCCC1 AMY39481 [0,0,0,0,0,2|0,0,2]=4