0 B9R0.46 CCCCCCC(C)CO Z1238840360 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.46 CCCCCCC(C)NN Z1691545122 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.46 CCCCCCC(C)OC Z1416182763 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.46 CCCCCCC(N)CC Z5869944669 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.46 CCCCCNC(=O)CCl Z147647946 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.4 C#CCCCCCCN Z3847490647 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.4 C#CCCCCCCO Z1198157198 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.4 C=CCCCCCCN Z1198263320 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.4 CCCCCCCCO Z104473500 [1,0,0,0,0,0|0,0,0]=1 9 B8R0.4 CCCCCNCCO Z137800944 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.4 CCCCNCCCC Z102766286 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.4 CCCCNCCCO Z102766210 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.4 CCNCCOCCN Z1323539868 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.4 CCOCCOCCN Z2900987685 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.4 COCCCNCCO Z382722010 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.4 COCCNCCCN Z970105370 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.4 COCCOCCCO Z1080358808 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 NCCCCCCCN Z275166586 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.4 NCCCCCCCO Z3016956569 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.4 NCCCNCCCN Z1203577926 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.4 OCCCNCCCO Z104684334 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.6 CC(CO)CSCCO Z1270309408 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.6 CCCCCC(=O)NO Z59181978 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.7 CC(C)CCCCCO Z1198149583 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.7 CC(C)CCNCCO Z102766092 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.7 CC(C)CCOCCO Z608482468 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.7 CC(C)COCCCO Z1080358758 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.7 CC(C)CSCCCN Z57970257 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.7 CC(C)OCCCCO Z993012606 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.7 CCCCCCC(=N)N Z4088236340 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,0,0,0,0|0,0,2]=3 31 B8R0.7 CCCCCCC(C)N Z104477186 [1,0,0,0,0,0|1,0,0]=2 32 B8R0.7 CCCCOCC(=O)O Z409190912 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.7 CCCCSCC(=O)O Z239951532 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,0,0,0,0,0|1,0,2]=4 35 B8R0.7 CCCNCCN(C)C Z1250222486 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.7 CCOCCCC(=O)O Z316258950 [1,0,0,0,0,0|1,0,2]=4 38 B8R0.7 CN(C)CCCCCN Z3247604067 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.7 CN(C)CCCCCO Z968555516 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.7 CNCCCCC(C)C Z5530305220 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.7 CNCCCCN(C)C Z594229344 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.7 COCCCCC(=O)O Z362633826 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.7 COCCNCC(C)C Z90501879 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.7 COCCOCC(C)N Z1262237318 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.7 CSCCCCC(=O)O Z732206636 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,0,0,0,0,0|1,0,2]=4 49 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,0,0,0,0,0|1,0,2]=4 50 B10R0.1 CCCCCNC(C)CCC Z138670752 [0,1,0,0,0,0|3,0,0]=4 51 B10R0.74 CCCCCCCC(C)CN Z415655116 [0,1,0,0,0,0|2,0,0]=3 52 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,1,0,0,0,0|1,0,2]=4 53 B10R0.74 CCOCCOCC(O)CN Z285181508 [0,1,0,0,0,0|2,0,0]=3 54 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,1,0,0,0,0|1,0,1]=3 55 B10R0.83 CCSCCN(C)C(C)CO Z1523074194 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.1 CC1CCC(CC1)CCN Z3407353899 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.1 CCCC1CCC(=O)CC1 Z57073962 [0,0,0,1,0,0|1,0,2]=4 58 B10R1.1 CCCC1CCC(CC1)N Z335455572 [0,0,0,1,0,0|2,0,0]=3 59 B10R1.1 CCCN1CCC(CC1)N Z90122150 [0,0,0,1,0,0|3,0,0]=4 60 B10R1.1 CCCN1CCC(CC1)O Z197264630 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.1 CCN[C@H]1CC[C@@H](CC1)N Z3244924075 [0,0,0,1,0,0|3,0,0]=4 62 B10R1.1 CCOC1CCC(CC1)O Z1652659072 [0,0,0,1,0,0|2,0,0]=3 63 B10R1.1 CNCC1CCC(CC1)C Z4497190298 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.1 COCC1CCC(CC1)N Z1203642452 [0,0,0,1,0,0|3,0,0]=4 65 B10R1.1 CSCC1CCC(CC1)N Z2234185680 [0,0,0,1,0,0|3,0,0]=4 66 B10R1.1 NCCN1CCC(CC1)O Z3234812755 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.1 OC1CCN(CC1)CCF Z5861811904 [0,0,0,1,0,0|3,0,0]=4 68 B10R1.2 CNC1CCCC(C1C)C Z4447240447 [0,0,0,1,0,0|3,0,0]=4 69 B10R1.2 OCC1CNCC(C1O)O Z3487876804 [0,0,0,1,0,0|2,0,0]=3 70 B10R1.15 C#CC(N)C1CCCCC1 Z4526260015 [0,0,0,1,0,0|2,0,1]=4 71 B10R1.15 CC(C=O)C1CCCCC1 Z1198160362 [0,0,0,1,0,0|1,0,2]=4 72 B10R1.15 CC(CO)C1CCOCC1 Z1898584249 [0,0,0,1,0,0|2,0,0]=3 73 B10R1.15 CC(CO)N1CCCCC1 Z2509351192 [0,0,0,1,0,0|2,0,0]=3 74 B10R1.15 CC(CO)N1CCNCC1 Z1891774995 [0,0,0,1,0,0|3,0,0]=4 75 B10R1.15 CCC(=O)C1CCCCC1 Z513735268 [0,0,0,1,0,0|1,0,2]=4 76 B10R1.15 CCC(C)C1CCNCC1 Z2740400802 [0,0,0,1,0,0|3,0,0]=4 77 B10R1.15 CCC(N)C1CCCCC1 Z513797596 [0,0,0,1,0,0|2,0,0]=3 78 B10R1.15 CCC(N)C1CCOCC1 Z1178490394 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.15 CCC(O)C1CCCCC1 Z513751136 [0,0,0,1,0,0|1,0,0]=2 80 B10R1.15 CCC(O)C1CCCCN1 Z1157652498 [0,0,0,1,0,0|2,0,0]=3 81 B10R1.15 CNC(C)C1CCCCC1 Z2010010276 [0,0,0,1,0,0|3,0,0]=4 82 B10R1.15 N#CC(N)C1CCCCC1 Z1335657654 [0,0,0,1,0,0|2,0,1]=4 83 B10R1.15 NC(CO)C1CCCOC1 Z2301534482 [0,0,0,1,0,0|2,0,0]=3 84 B10R1.15 NC(CO)C1CCOCC1 Z1966483213 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.15 NCC(N)C1CCCCC1 Z425861046 [0,0,0,1,0,0|2,0,0]=3 86 B10R1.15 NCC(O)C1CCCCC1 Z234895869 [0,0,0,1,0,0|1,0,0]=2 87 B10R1.15 NCC(O)C1CCOCC1 Z1863617870 [0,0,0,1,0,0|2,0,0]=3 88 B10R1.15 O=C(CCl)C1CCCCC1 Z1205657412 [0,0,0,1,0,0|1,0,2]=4 89 B10R1.15 OCC(O)C1CCNCC1 Z3093892499 [0,0,0,1,0,0|1,0,0]=2 90 B10R1.15 OC[C@H](O)[C@@H]1CNCCO1 Z2768134926 [0,0,0,1,0,0|2,0,0]=3 91 B10R1.16 CCCCC1CCC(C1)N Z1233210350 [0,0,0,1,0,0|2,0,0]=3 92 B10R1.27 NC(CO)CC1CCCC1 Z1198179461 [0,0,0,1,0,0|1,0,0]=2 93 B10R1.27 NC(CO)CN1CCCC1 Z2096088306 [0,0,0,1,0,0|2,0,0]=3 94 B10R1.27 NCC(O)CC1CCCC1 Z5195336263 [0,0,0,1,0,0|1,0,0]=2 95 B10R1.27 O=C(CCl)CC1CCCC1 Z1386913430 [0,0,0,1,0,0|1,0,2]=4 96 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [0,0,0,1,0,0|1,0,2]=4 97 B10R1.57 CCCCCOC1CNC1 Z1318513965 [0,0,0,1,0,0|3,0,0]=4 98 B10R1.78 NC1CCCCCCCC1 Z3491522566 [0,0,0,1,0,0|2,0,0]=3 99 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [0,0,0,1,0,0|1,0,2]=4 100 B10R1.87 CCSC1CCC1(O)CN Z1324054881 [0,0,0,1,0,0|2,0,0]=3 101 B10R1.94 COC[C@@H]1NC[C@H]([C@H]1O)O Z4520856400 [0,0,0,1,0,0|2,0,0]=3 102 B10R1.99 CCC[C@@H]1C[C@H]1C(=O)CCl Z4463030910 [0,0,0,1,0,0|1,0,2]=4 103 B10R1.153 NCC(O)COCC1CC1 Z332379858 [0,0,0,1,0,0|2,0,0]=3 104 B10R1.157 CC[C@@H]1C[C@@H]1CC(=O)CCl Z4994023133 [0,0,0,1,0,0|1,0,2]=4 105 B10R1.161 CCC1CCCCCCN1 Z5401717016 [0,0,0,1,0,0|2,0,0]=3 106 B10R1.161 CNC1CCCCCCC1 Z102766896 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.161 N#CC1CCCCCCC1 Z415654854 [0,0,0,1,0,0|2,0,1]=4 108 B10R1.161 NCC1CCCCCCC1 Z1259155971 [0,0,0,1,0,0|2,0,0]=3 109 B10R1.161 O=CC1CCCCCCC1 Z1162184415 [0,0,0,1,0,0|1,0,2]=4 110 B10R1.172 CCC1CCCC(C1)C=O Z1217182162 [0,0,0,1,0,0|1,0,2]=4 111 B10R1.172 CCN1CCCC(C1)CN Z935140748 [0,0,0,1,0,0|3,0,0]=4 112 B10R1.172 CC[C@@H]1CCN[C@@H](C1)CO Z3273108754 [0,0,0,1,0,0|2,0,0]=3 113 B10R1.172 NC[C@@H]1CCC[C@@H](C1)CF Z3400079252 [0,0,0,1,0,0|3,0,0]=4 114 B10R1.172 NC[C@@H]1CCC[C@H](C1)CN Z4046731141 [0,0,0,1,0,0|3,0,0]=4 115 B10R1.172 OCC1CNCC(C1)CO Z3247610107 [0,0,0,1,0,0|3,0,0]=4 116 B10R1.172 OC[C@@H]1C[C@@H](CCN1)CO Z4089009853 [0,0,0,1,0,0|3,0,0]=4 117 B10R1.197 NC1CCCC(CC1)CO Z3034937862 [0,0,0,1,0,0|3,0,0]=4 118 B10R1.206 C[C@@H]1C[C@H]1CCC(=O)CCl Z4442429030 [0,0,0,1,0,0|1,0,2]=4 119 B10R1.230 CC1(CCCCC1O)CN Z1255424818 [0,0,0,1,0,0|3,0,0]=4 120 B10R1.230 CC1CCCCC1(N)CN Z425860972 [0,0,0,1,0,0|2,0,0]=3 121 B10R1.230 CC1CCCCC1(N)CO Z2895331646 [0,0,0,1,0,0|1,0,0]=2 122 B10R1.232 CC1(CCCCCC1)C=O Z1511825776 [0,0,0,1,0,0|1,0,2]=4 123 B10R1.232 CCC1(CCCNCC1)C Z1203825312 [0,0,0,1,0,0|3,0,0]=4 124 B10R1.232 N#CC1(CCCCCC1)N Z247612850 [0,0,0,1,0,0|2,0,1]=4 125 B10R1.232 NC1(CCCCCC1)CO Z3325063121 [0,0,0,1,0,0|1,0,0]=2 126 B7R0.1 CC#CCCCCO Z1233226212 [2,0,0,0,0,0|0,0,2]=4 127 B7R0.1 CCCCCCCO Z104473596 [2,0,0,0,0,0|0,0,0]=2 128 B7R0.1 CCCCCCNC Z5419328797 [2,0,0,0,0,0|1,0,0]=3 129 B7R0.1 CCCCOCCN Z409191398 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.1 CCCOCCCO Z1080358966 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.1 CCNCCOCC Z138138014 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.1 CCOCCCCO Z993012560 [2,0,0,0,0,0|1,0,0]=3 133 B7R0.1 CNCCCCCN Z4097840720 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.1 CNCCCCOC Z875082126 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.1 COCCCCCN Z608347192 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.1 COCCCCCO Z993012416 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.1 COCCNCCO Z266088374 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.1 COCCOCCO Z849748688 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.1 CSCCCCCN Z823285026 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.1 CSCCCCCO Z968557058 [2,0,0,0,0,0|1,0,0]=3 141 B7R0.1 CSCCCCSC Z1198148193 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.1 NCCCCCCN Z104473514 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.1 NCCOCCCO Z2044949087 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.1 NCCSCCCO Z406685362 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.1 OCCCCCCBr Z1255398867 [2,0,0,0,0,0|1,0,0]=3 146 B7R0.1 OCCCCCCO Z104473540 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.1 OCCCNCCO Z104654390 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.1 OCCCOCCO Z1373668758 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.1 OCCCSCCO Z149155194 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.3 CCC(O)CCCN Z1259162031 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.3 CCCCC(N)CC Z3303777618 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.3 CCCCC(N)CN Z756921038 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.3 CCNCC(O)CC Z600449680 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.3 CCOCC(O)CN Z271097110 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.3 CCOCC(O)CO Z1178483452 [2,0,0,0,0,0|1,0,0]=3 156 B7R0.4 CC(C)CCCCN Z1250132304 [2,0,0,0,0,0|2,0,0]=4 157 B7R0.4 CC(N)CCCCN Z2186882580 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.4 CC(N)CCCCO Z2234185667 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|0,0,2]=4 160 B7R0.4 CCCCCC(C)N Z104495176 [2,0,0,0,0,0|1,0,0]=3 161 B7R0.4 CCCNCC(C)C Z90518190 [2,0,0,0,0,0|2,0,0]=4 162 B7R0.4 COCCCC(C)O Z854048762 [2,0,0,0,0,0|1,0,0]=3 163 B9R0.2 CC(C)NCCOCCO Z2017842782 [1,1,0,0,0,0|2,0,0]=4 164 B9R0.2 CCCCCCCC(=O)O Z104495238 [1,1,0,0,0,0|0,0,1]=3 165 B9R0.2 CCCCCOCC(=O)O Z409357548 [1,1,0,0,0,0|1,0,1]=4 166 B9R0.2 CCCCSCCC(=O)O Z149304844 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.2 CCNCCCCC(=O)O Z2893830564 [1,1,0,0,0,0|1,0,1]=4 168 B9R0.2 NCCCCCCC(=O)O Z56896351 [1,1,0,0,0,0|1,0,1]=4 169 B9R0.5 CCCCCC(O)CCO Z1198158015 [1,1,0,0,0,0|0,0,0]=2 170 B9R0.18 CCCCC(N)CCCC Z5099120554 [1,1,0,0,0,0|1,0,0]=3 171 B9R0.45 CCCCCCCCCO Z104476100 [1,1,0,0,0,0|0,0,0]=2 172 B9R0.45 CCCCCCCNC=O Z1203732044 [1,1,0,0,0,0|0,0,2]=4 173 B9R0.45 CCCCCCNCCO Z137800948 [1,1,0,0,0,0|0,0,0]=2 174 B9R0.45 CCCCOCCCCO Z993012624 [1,1,0,0,0,0|0,0,0]=2 175 B9R0.45 CNCCOCCCOC Z839536458 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.45 COCCCNCCOC Z235637138 [1,1,0,0,0,0|2,0,0]=4 177 B9R0.45 COCCOCCCCN Z285178626 [1,1,0,0,0,0|2,0,0]=4 178 B9R0.45 NCCCCCCCCN Z1203577927 [1,1,0,0,0,0|1,0,0]=3 179 B9R0.45 NCCCCCCCCO Z4745386600 [1,1,0,0,0,0|0,0,0]=2 180 B9R0.45 OCCCCCOCCO Z1897250794 [1,1,0,0,0,0|1,0,0]=3 181 B9R0.45 OCCOCCOCCF Z1618124684 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.45 OCCOCCOCCO Z104476078 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.45 OCCOCCSCCO Z756091788 [1,1,0,0,0,0|2,0,0]=4 184 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [1,1,0,0,0,0|2,0,0]=4 185 B9R0.1 CC(C)COCC(O)CN Z285181512 [1,1,0,0,0,0|2,0,0]=4 186 B9R0.20 CCCCCC(C)(C)CN Z995183114 [1,1,0,0,0,0|2,0,0]=4 187 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [1,1,0,0,0,0|0,0,1]=3 188 B9R0.38 COCCOCC(C)(C)O Z1255435424 [1,1,0,0,0,0|2,0,0]=4 189 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [1,1,0,0,0,0|0,0,2]=4 190 B9R0.55 CC(C)CCNCC(C)C Z4894350750 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [1,1,0,0,0,0|0,0,2]=4 192 B9R0.55 CC(O)CCCCN(C)C Z902046980 [1,1,0,0,0,0|1,0,0]=3 193 B11R0.2 CCCCCCC(C)CC(=O)O Z362824108 [0,2,0,0,0,0|1,0,0]=3 194 B11R0.2 CCCCCCN(C)CC(=O)O Z1259273334 [0,2,0,0,0,0|2,0,0]=4 195 B11R0.161 CCCCCCC(CC)CNC Z2582907771 [0,2,0,0,0,0|2,0,0]=4 196 B11R0.154 CCCCCN(C)CC(O)CN Z409445498 [0,2,0,0,0,0|1,0,0]=3 197 B11R0.76 CCCCCCC(CC)C(=O)O Z756391282 [0,2,0,0,0,0|1,0,0]=3 198 B11R0.76 CCCCCCC(NC)C(=O)O Z446011802 [0,2,0,0,0,0|1,0,1]=4 199 B11R0.114 OC[C@@H](O)CNCCC(F)(F)F Z1101432312 [0,2,0,0,0,0|2,0,0]=4 200 B11R0.125 CCCCCCC(C)(N)C(=O)O Z362825342 [0,2,0,0,0,0|1,0,1]=4 201 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [1,0,0,1,0,0|1,0,0]=3 202 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [1,0,0,1,0,0|2,0,0]=4 203 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [1,0,0,1,0,0|2,0,0]=4 204 B9R1.8 CCCC1CCCCN1 Z1665033554 [1,0,0,1,0,0|1,0,0]=3 205 B9R1.8 CCCC1CCCNC1 Z1404660494 [1,0,0,1,0,0|2,0,0]=4 206 B9R1.8 CCCC1CCNCC1 Z963408928 [1,0,0,1,0,0|2,0,0]=4 207 B9R1.8 CCCC1CNCCN1 Z1203732978 [1,0,0,1,0,0|2,0,0]=4 208 B9R1.8 CCCC1CNCCO1 Z1203829779 [1,0,0,1,0,0|1,0,0]=3 209 B9R1.8 CCCC1COCCN1 Z4607148847 [1,0,0,1,0,0|2,0,0]=4 210 B9R1.8 CCNC1CCCCC1 Z235346963 [1,0,0,1,0,0|2,0,0]=4 211 B9R1.8 CNCC1CCCCC1 Z102767074 [1,0,0,1,0,0|2,0,0]=4 212 B9R1.8 COCC1CCCCN1 Z2238934630 [1,0,0,1,0,0|2,0,0]=4 213 B9R1.8 COCC1CNCCO1 Z1171972187 [1,0,0,1,0,0|2,0,0]=4 214 B9R1.8 ClCCN1CCCCC1 Z235354563 [1,0,0,1,0,0|2,0,0]=4 215 B9R1.8 N#CCC1CCCCC1 Z295382924 [1,0,0,1,0,0|1,0,1]=4 216 B9R1.8 NCCC1CCCCC1 Z367451182 [1,0,0,1,0,0|1,0,0]=3 217 B9R1.8 NCCC1CCCCO1 Z432420620 [1,0,0,1,0,0|1,0,0]=3 218 B9R1.8 NCCC1CCNCC1 Z756921054 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.8 NCCC1CCOCC1 Z851015130 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.8 NCCC1CCSCC1 Z2768149804 [1,0,0,1,0,0|2,0,0]=4 221 B9R1.8 O=CCC1CCCCC1 Z993017728 [1,0,0,1,0,0|0,0,2]=4 222 B9R1.8 O=CCC1CCCCO1 Z1511748073 [1,0,0,1,0,0|1,0,1]=4 223 B9R1.8 OCCC1CCCCC1 Z397587116 [1,0,0,1,0,0|0,0,0]=2 224 B9R1.8 OCCC1CCCCO1 Z1198184633 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.8 OCCC1CCCNC1 Z1263820461 [1,0,0,1,0,0|1,0,0]=3 226 B9R1.8 OCCC1CCCOC1 Z1198309922 [1,0,0,1,0,0|1,0,0]=3 227 B9R1.8 OCCC1CCNCC1 Z336087886 [1,0,0,1,0,0|1,0,0]=3 228 B9R1.8 OCCC1CCOCC1 Z1178491138 [1,0,0,1,0,0|1,0,0]=3 229 B9R1.8 OCCC1CSCCN1 Z1375026565 [1,0,0,1,0,0|2,0,0]=4 230 B9R1.8 OCCN1CCCCC1 Z104479032 [1,0,0,1,0,0|1,0,0]=3 231 B9R1.8 OCCN1CCNCC1 Z104477190 [1,0,0,1,0,0|2,0,0]=4 232 B9R1.8 OCCN1CCOCC1 Z104474266 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.8 OCCN1CCSCC1 Z425793720 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.12 CCCCC1CCCN1 Z3244909133 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.12 CCCNC1CCCC1 Z1076533152 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.12 CCNCC1CCCO1 Z810541800 [1,0,0,1,0,0|1,0,0]=3 237 B9R1.12 CNCCC1CCCO1 Z1801307836 [1,0,0,1,0,0|1,0,0]=3 238 B9R1.12 NCCCC1CCCC1 Z744843730 [1,0,0,1,0,0|1,0,0]=3 239 B9R1.12 NCCCC1CCOC1 Z1198224817 [1,0,0,1,0,0|2,0,0]=4 240 B9R1.12 NCCNC1CCCC1 Z4158574763 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.12 NCCOC1CCCC1 Z594038064 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.12 NCCSC1CCCC1 Z1263714075 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.12 O=CCCC1CCCC1 Z993017672 [1,0,0,1,0,0|0,0,2]=4 244 B9R1.12 O=CCCC1CCCO1 Z993017666 [1,0,0,1,0,0|1,0,1]=4 245 B9R1.12 OCCCC1CCCN1 Z979444798 [1,0,0,1,0,0|1,0,0]=3 246 B9R1.12 OCCCC1CCCO1 Z993012576 [1,0,0,1,0,0|1,0,0]=3 247 B9R1.12 OCCNC1CCCC1 Z1162448840 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.12 OCCOC1CCCC1 Z362785380 [1,0,0,1,0,0|1,0,0]=3 249 B9R1.14 NC[C@@H]1CCC[C@H]1CF Z5489491630 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.15 C#CC1CCCCC1O Z1725997828 [1,0,0,1,0,0|0,0,2]=4 251 B9R1.15 CC1CC=CCC1CO Z104479344 [1,0,0,1,0,0|0,0,2]=4 252 B9R1.15 CC1CCCCC1C#N Z415654838 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.15 CC1CCCCC1C=O Z1268606365 [1,0,0,1,0,0|0,0,2]=4 254 B9R1.15 CC1CCCCC1CN Z415655074 [1,0,0,1,0,0|1,0,0]=3 255 B9R1.15 CC1COCCC1CN Z1255367314 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.15 CCC1CCCCC1N Z368844574 [1,0,0,1,0,0|1,0,0]=3 257 B9R1.15 CCC1CCCCC1O Z104476198 [1,0,0,1,0,0|0,0,0]=2 258 B9R1.15 CN1CCNCC1CO Z2738358229 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.15 CNC1CCCCC1C Z324553050 [1,0,0,1,0,0|2,0,0]=4 260 B9R1.15 COC1CCCCC1N Z285187676 [1,0,0,1,0,0|2,0,0]=4 261 B9R1.15 COC1CCCCC1O Z425453594 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [1,0,0,1,0,0|2,0,0]=4 263 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [1,0,0,1,0,0|1,0,0]=3 264 B9R1.15 CS[C@H]1CCCC[C@@H]1N Z2182116696 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [1,0,0,1,0,0|1,0,0]=3 266 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [1,0,0,1,0,0|1,0,0]=3 267 B9R1.15 NCC1CCCCC1O Z409444222 [1,0,0,1,0,0|1,0,0]=3 268 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [1,0,0,1,0,0|1,0,0]=3 269 B9R1.15 OCC1CCCCC1O Z1198163949 [1,0,0,1,0,0|1,0,0]=3 270 B9R1.16 CC1CC1CCCC=O Z3271342479 [1,0,0,1,0,0|0,0,2]=4 271 B9R1.17 NCCCCC1CCC1 Z5398432947 [1,0,0,1,0,0|1,0,0]=3 272 B9R1.17 NCCOCC1CCC1 Z1263592136 [1,0,0,1,0,0|2,0,0]=4 273 B9R1.17 OCCCNC1CCC1 Z859816160 [1,0,0,1,0,0|1,0,0]=3 274 B9R1.17 OCCOCC1CCC1 Z2256067074 [1,0,0,1,0,0|1,0,0]=3 275 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [1,0,0,1,0,0|1,0,0]=3 276 B9R1.33 CCSC1CCCC1N Z1238713136 [1,0,0,1,0,0|2,0,0]=4 277 B9R1.33 CN1CCCC1CCN Z1255415415 [1,0,0,1,0,0|2,0,0]=4 278 B9R1.33 CN1CCCC1CCO Z607750234 [1,0,0,1,0,0|1,0,0]=3 279 B9R1.33 CNCC1CCCC1O Z1268477814 [1,0,0,1,0,0|1,0,0]=3 280 B9R1.33 NC1CCCC1CCO Z1509036975 [1,0,0,1,0,0|1,0,0]=3 281 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [1,0,0,1,0,0|1,0,0]=3 282 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [1,0,0,1,0,0|1,0,0]=3 283 B9R1.50 CC1CCCCCCN1 Z3487835965 [1,0,0,1,0,0|1,0,0]=3 284 B9R1.50 NC1CCCCCCC1 Z104478188 [1,0,0,1,0,0|1,0,0]=3 285 B9R1.50 O=C1CCCCCCC1 Z104474712 [1,0,0,1,0,0|0,0,2]=4 286 B9R1.50 OC1CCCCCCC1 Z104472780 [1,0,0,1,0,0|0,0,0]=2 287 B9R1.83 C=CCCCCC1CO1 Z1255356056 [1,0,0,1,0,0|0,0,2]=4 288 B9R1.83 CCCCCCC1CO1 Z1020680070 [1,0,0,1,0,0|0,0,0]=2 289 B9R1.83 CCCCOCC1CO1 Z409191626 [1,0,0,1,0,0|1,0,0]=3 290 B9R1.83 COCCOCC1CO1 Z285181540 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.83 NCCOCCC1CC1 Z3629170058 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.83 O=CCCCCC1CC1 Z3002702510 [1,0,0,1,0,0|0,0,2]=4 293 B9R1.83 OCCCCNC1CC1 Z839096664 [1,0,0,1,0,0|1,0,0]=3 294 B9R1.83 OCCCOCC1CO1 Z4201876111 [1,0,0,1,0,0|2,0,0]=4 295 B9R1.89 CCC1CCCCCN1 Z992736884 [1,0,0,1,0,0|1,0,0]=3 296 B9R1.89 CCC1CCCNCC1 Z425362302 [1,0,0,1,0,0|2,0,0]=4 297 B9R1.89 CCC1CCNCCO1 Z3275232542 [1,0,0,1,0,0|1,0,0]=3 298 B9R1.89 CCC1CCOCCN1 Z3275231194 [1,0,0,1,0,0|2,0,0]=4 299 B9R1.89 CNC1CCCCCC1 Z102766800 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.89 FCC1CNCCCO1 Z2295370275 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.89 NCC1CCCCCC1 Z415655096 [1,0,0,1,0,0|1,0,0]=3 302 B9R1.89 NCC1CCCOCC1 Z4438964521 [1,0,0,1,0,0|2,0,0]=4 303 B9R1.89 NCC1CCCSCC1 Z3037487975 [1,0,0,1,0,0|2,0,0]=4 304 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,0,1,0,0|0,0,2]=4 305 B9R1.89 OCC1CCCCCC1 Z992928672 [1,0,0,1,0,0|0,0,0]=2 306 B9R1.89 OCC1CCCCNC1 Z1318147457 [1,0,0,1,0,0|1,0,0]=3 307 B9R1.103 C1CCCCNCCC1 Z1203730912 [1,0,0,1,0,0|1,0,0]=3 308 B9R1.103 C1COCCOCCN1 Z3477416729 [1,0,0,1,0,0|2,0,0]=4 309 B9R1.1 CCN1CCC(CC1)O Z197264618 [1,0,0,1,0,0|2,0,0]=4 310 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [1,0,0,1,0,0|2,0,0]=4 311 B9R1.1 CNC1CCC(CC1)O Z138503904 [1,0,0,1,0,0|2,0,0]=4 312 B9R1.1 CN[C@H]1CC[C@H](CC1)O Z3241259883 [1,0,0,1,0,0|2,0,0]=4 313 B9R1.1 COC1CCC(CC1)O Z904962746 [1,0,0,1,0,0|2,0,0]=4 314 B9R1.1 C[C@@H]1CC[C@H](OC1)CN Z3770977955 [1,0,0,1,0,0|2,0,0]=4 315 B9R1.1 OCC1CCC(CC1)O Z1255451065 [1,0,0,1,0,0|2,0,0]=4 316 B9R1.2 CC1CC(CCO1)CO Z1268632086 [1,0,0,1,0,0|2,0,0]=4 317 B9R1.2 CC1CNCC(O1)CO Z1509113623 [1,0,0,1,0,0|1,0,0]=3 318 B9R1.2 CC1COCC(O1)CN Z4877532429 [1,0,0,1,0,0|2,0,0]=4 319 B9R1.2 CCC1CNCC(O1)C Z405744530 [1,0,0,1,0,0|2,0,0]=4 320 B9R1.2 CN1CCCC(C1)CO Z103740616 [1,0,0,1,0,0|2,0,0]=4 321 B9R1.2 C[C@@H]1CCC[C@@H](N1)CN Z3617085231 [1,0,0,1,0,0|2,0,0]=4 322 B9R1.2 C[C@@H]1CCC[C@@H](N1)CO Z2738355370 [1,0,0,1,0,0|1,0,0]=3 323 B9R1.2 C[C@H]1C[C@H](CCN1)CO Z2102741286 [1,0,0,1,0,0|2,0,0]=4 324 B9R1.3 CC1CCCC(C1C)N Z104478930 [1,0,0,1,0,0|2,0,0]=4 325 B9R1.3 CC1CCCC(C1N)C Z359419654 [1,0,0,1,0,0|2,0,0]=4 326 B9R1.3 CC1CCCC(C1N)O Z1509035391 [1,0,0,1,0,0|1,0,0]=3 327 B9R1.3 CC1CCCC(C1O)C Z335244846 [1,0,0,1,0,0|1,0,0]=3 328 B9R1.3 CC1CNCC(C1O)C Z1509063911 [1,0,0,1,0,0|2,0,0]=4 329 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [1,0,0,1,0,0|1,0,0]=3 330 B9R1.3 O[C@H]1CNC[C@H]([C@H]1O)O Z1203732389 [1,0,0,1,0,0|2,0,0]=4 331 B9R1.7 CCCC1CCC(C1)N Z1233210255 [1,0,0,1,0,0|2,0,0]=4 332 B9R1.7 CNC[C@@H]1C[C@H](CN1)O Z2242008674 [1,0,0,1,0,0|2,0,0]=4 333 B9R1.7 COC[C@@H]1C[C@@H](CN1)O Z2298137791 [1,0,0,1,0,0|2,0,0]=4 334 B9R1.11 CCC(N)C1CCCC1 Z513797602 [1,0,0,1,0,0|2,0,0]=4 335 B9R1.11 NC(CO)C1CCOC1 Z1446874474 [1,0,0,1,0,0|2,0,0]=4 336 B9R1.11 NCC(O)C1CCOC1 Z2418537435 [1,0,0,1,0,0|2,0,0]=4 337 B9R1.21 OC[C@@H]1CC[C@H](N1)CO Z2309988693 [1,0,0,1,0,0|2,0,0]=4 338 B9R1.49 CC1CCCC(NC1)C Z1203830904 [1,0,0,1,0,0|2,0,0]=4 339 B9R1.79 NC(CO)CC1CCC1 Z1263593952 [1,0,0,1,0,0|1,0,0]=3 340 B9R1.79 NCC(O)CC1CCC1 Z5787667532 [1,0,0,1,0,0|1,0,0]=3 341 B9R1.118 CC1(CCCCC1)CN Z1413780464 [1,0,0,1,0,0|2,0,0]=4 342 B9R1.118 CC1(CCCCC1)CO Z1201620047 [1,0,0,1,0,0|1,0,0]=3 343 B9R1.118 CC1(CCCCN1)CO Z1255397122 [1,0,0,1,0,0|2,0,0]=4 344 B9R1.118 CC1(CCCNC1)CO Z1198184762 [1,0,0,1,0,0|2,0,0]=4 345 B9R1.118 CC1(CCNCC1)CO Z1683068092 [1,0,0,1,0,0|2,0,0]=4 346 B9R1.118 CC1(CCOCC1)CO Z1255447679 [1,0,0,1,0,0|2,0,0]=4 347 B9R1.118 CCC1(CCCCC1)N Z2235790648 [1,0,0,1,0,0|2,0,0]=4 348 B9R1.118 CCC1(CCCCC1)O Z449370576 [1,0,0,1,0,0|1,0,0]=3 349 B9R1.118 CCC1(CCNCC1)O Z1267885912 [1,0,0,1,0,0|2,0,0]=4 350 B9R1.118 NC1(CCCCC1)CO Z2417556977 [1,0,0,1,0,0|1,0,0]=3 351 B9R1.118 NC1(CCOCC1)CO Z234898275 [1,0,0,1,0,0|2,0,0]=4 352 B9R1.118 NC1(CCSCC1)CO Z2256111066 [1,0,0,1,0,0|2,0,0]=4 353 B9R1.118 NCC1(CCCCC1)Br Z1982417702 [1,0,0,1,0,0|2,0,0]=4 354 B9R1.118 NCC1(CCCCC1)N Z235344715 [1,0,0,1,0,0|2,0,0]=4 355 B9R1.118 NCC1(CCCCC1)O Z363991148 [1,0,0,1,0,0|1,0,0]=3 356 B9R1.118 NCC1(CCCSC1)O Z4951242636 [1,0,0,1,0,0|2,0,0]=4 357 B9R1.118 NCC1(CCNCC1)O Z778383858 [1,0,0,1,0,0|2,0,0]=4 358 B9R1.118 NCC1(CCSCC1)O Z803080496 [1,0,0,1,0,0|2,0,0]=4 359 B9R1.118 OCC1(CCCNC1)O Z2284393168 [1,0,0,1,0,0|1,0,0]=3 360 B9R1.118 OCC1(CCNCC1)F Z2941371989 [1,0,0,1,0,0|2,0,0]=4 361 B9R1.118 OCC1(CCNCC1)O Z2522871031 [1,0,0,1,0,0|1,0,0]=3 362 B9R1.118 OCC1(CCOCC1)O Z1537124723 [1,0,0,1,0,0|1,0,0]=3 363 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O Z4452704152 [1,0,0,1,0,0|2,0,0]=4 364 B9R1.132 O[C@@H]1[C@@H](CN[C@H]1CF)O Z4497197479 [1,0,0,1,0,0|2,0,0]=4 365 B9R1.202 CC1(CCCC1N)CO Z1255430902 [1,0,0,1,0,0|2,0,0]=4 366 B9R1.202 CN1CCCC1(C)CO Z4918241999 [1,0,0,1,0,0|2,0,0]=4 367 B9R1.6 CC(C)C1CCCCN1 Z1269638432 [1,0,0,1,0,0|2,0,0]=4 368 B9R1.6 CC(C)C1CCCNC1 Z1201627016 [1,0,0,1,0,0|2,0,0]=4 369 B9R1.6 CC(C)C1CCNCC1 Z1262398542 [1,0,0,1,0,0|2,0,0]=4 370 B9R1.6 CC(N)C1CCCCC1 Z446020926 [1,0,0,1,0,0|1,0,0]=3 371 B9R1.6 CC(N)C1CCOCC1 Z1178490395 [1,0,0,1,0,0|2,0,0]=4 372 B9R1.6 CC(O)C1CCCCC1 Z445987098 [1,0,0,1,0,0|0,0,0]=2 373 B9R1.6 CC(O)C1CCCCN1 Z995042172 [1,0,0,1,0,0|1,0,0]=3 374 B9R1.6 CC(O)C1CCCNC1 Z431526982 [1,0,0,1,0,0|1,0,0]=3 375 B9R1.6 CC(O)C1CCNCC1 Z995042164 [1,0,0,1,0,0|1,0,0]=3 376 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [1,0,0,1,0,0|1,0,0]=3 377 B9R1.6 CC(O)C1CNCCO1 Z1203734763 [1,0,0,1,0,0|2,0,0]=4 378 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [1,0,0,1,0,0|0,0,0]=2 379 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|0,0,2]=4 380 B9R1.6 OB(O)C1CCCCC1 Z56789446 [1,0,0,1,0,0|1,0,0]=3 381 B9R1.9 CC1CC(C1)CCCN Z5102110275 [1,0,0,1,0,0|2,0,0]=4 382 B9R1.9 CSCCC1CC(C1)N Z4800996772 [1,0,0,1,0,0|2,0,0]=4 383 B9R1.13 CC(C)CC1CCCN1 Z2301511576 [1,0,0,1,0,0|2,0,0]=4 384 B9R1.13 CC(C)CC1CCNC1 Z979422218 [1,0,0,1,0,0|2,0,0]=4 385 B9R1.13 CC(C)NC1CCCC1 Z316170330 [1,0,0,1,0,0|2,0,0]=4 386 B9R1.13 CC(N)CC1CCCO1 Z513796812 [1,0,0,1,0,0|2,0,0]=4 387 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [1,0,0,1,0,0|1,0,0]=3 388 B9R1.13 CC(O)CC1CCOC1 Z1322050500 [1,0,0,1,0,0|1,0,0]=3 389 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,1,0,0|0,0,2]=4 390 B9R1.13 OB(O)CC1CCCC1 Z1147227856 [1,0,0,1,0,0|1,0,0]=3 391 B9R1.24 CC1(CCCC1CN)C Z1203586019 [1,0,0,1,0,0|2,0,0]=4 392 B9R1.40 CC1(CCCCC1N)C Z1203579141 [1,0,0,1,0,0|2,0,0]=4 393 B9R1.40 CC1(CCCCC1O)C Z1350656299 [1,0,0,1,0,0|2,0,0]=4 394 B9R1.40 CC1CCCCC1(C)O Z449370784 [1,0,0,1,0,0|0,0,0]=2 395 B9R1.40 CC1CCNCC1(C)C Z1665098520 [1,0,0,1,0,0|2,0,0]=4 396 B9R1.40 C[C@@H]1CCNC[C@]1(C)O Z2309893888 [1,0,0,1,0,0|1,0,0]=3 397 B9R1.40 C[C@]1(CCNC[C@@H]1O)O Z4437808787 [1,0,0,1,0,0|2,0,0]=4 398 B9R1.40 C[C@]1(CNCC[C@@H]1O)O Z3333750066 [1,0,0,1,0,0|2,0,0]=4 399 B9R1.41 CC(C)C1CCCC1N Z3278384105 [1,0,0,1,0,0|2,0,0]=4 400 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|0,0,2]=4 401 B9R1.46 CC(C)NCC1CC1C Z1262237271 [1,0,0,1,0,0|2,0,0]=4 402 B9R1.48 CN1CCNCC(C1)O Z2310716518 [1,0,0,1,0,0|2,0,0]=4 403 B9R1.48 C[C@@H]1CCNC[C@@H](C1)C Z2865591915 [1,0,0,1,0,0|2,0,0]=4 404 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [1,0,0,1,0,0|0,0,2]=4 405 B9R1.85 CC(C)CCNC1CC1 Z324553108 [1,0,0,1,0,0|2,0,0]=4 406 B9R1.148 CC1(CCCCCC1)N Z1210869367 [1,0,0,1,0,0|1,0,0]=3 407 B9R1.148 CC1(CCCCCC1)O Z449370874 [1,0,0,1,0,0|0,0,0]=2 408 B9R1.148 CC1(CCCCNC1)C Z1504672380 [1,0,0,1,0,0|2,0,0]=4 409 B9R1.148 CC1(CCCNCC1)C Z1258846913 [1,0,0,1,0,0|2,0,0]=4 410 B9R1.148 CC1(CCCNCC1)O Z1945705132 [1,0,0,1,0,0|1,0,0]=3 411 B9R1.148 CC1(CNCCNC1)O Z3606270690 [1,0,0,1,0,0|2,0,0]=4 412 B9R1.148 CC1(CNCCOC1)O Z1999520497 [1,0,0,1,0,0|2,0,0]=4 413 B11R1.16 CCCC(N)C1CCCCC1 Z513797868 [0,1,0,1,0,0|2,0,0]=4 414 B11R1.16 CN(CCO)C1CCCCC1 Z159528828 [0,1,0,1,0,0|2,0,0]=4 415 B11R1.16 CNCC(C)C1CCCCC1 Z2680755428 [0,1,0,1,0,0|2,0,0]=4 416 B11R1.16 COCC(N)C1CCOCC1 Z1178490560 [0,1,0,1,0,0|2,0,0]=4 417 B11R1.16 NC(CCO)C1CCCCC1 Z979743602 [0,1,0,1,0,0|1,0,0]=3 418 B11R1.16 NC(CCO)C1CCOCC1 Z1688198423 [0,1,0,1,0,0|2,0,0]=4 419 B11R1.101 NC1CCCCCCCCC1 Z3244659869 [0,1,0,1,0,0|2,0,0]=4 420 B11R1.117 CNCC1CCCCCCC1 Z1258570420 [0,1,0,1,0,0|2,0,0]=4 421 B11R1.189 CCC1CCCN(C1)CCO Z432066516 [0,1,0,1,0,0|2,0,0]=4 422 B11R1.779 CNCC1(CCCCCC1)O Z1742055045 [0,1,0,1,0,0|1,0,0]=3 423 B11R1.779 COCC1(CCCNCC1)O Z1627151443 [0,1,0,1,0,0|1,0,0]=3 424 B11R1.39 CC1CCN(C1)C[C@H](O)CO Z2946441654 [0,1,0,1,0,0|1,0,0]=3 425 B11R1.39 OC[C@@H](O)CN1CCC(C1)F Z2950024852 [0,1,0,1,0,0|1,0,0]=3 426 B11R1.39 OC[C@@H](O)CN1CC[C@@H](C1)F Z2950063234 [0,1,0,1,0,0|1,0,0]=3 427 B11R1.40 CC(CO)CC1CCCCC1 Z1238840407 [0,1,0,1,0,0|1,0,0]=3 428 B11R1.40 CC(CO)CC1CCNCC1 Z4511729558 [0,1,0,1,0,0|1,0,0]=3 429 B11R1.40 CC(CO)CC1CCOCC1 Z1238840447 [0,1,0,1,0,0|1,0,0]=3 430 B11R1.40 CC(CO)NC1CCSCC1 Z425808478 [0,1,0,1,0,0|2,0,0]=4 431 B11R1.40 CCC(O)CN1CCNCC1 Z600449612 [0,1,0,1,0,0|2,0,0]=4 432 B11R1.40 NC(CO)CC1CCCCC1 Z1201620851 [0,1,0,1,0,0|1,0,0]=3 433 B11R1.40 NC(CO)CC1CCCCO1 Z4777204053 [0,1,0,1,0,0|1,0,0]=3 434 B11R1.40 NC(CO)CN1CCOCC1 Z1993522685 [0,1,0,1,0,0|2,0,0]=4 435 B11R1.40 NCC(O)CC1CCCCC1 Z5195335934 [0,1,0,1,0,0|1,0,0]=3 436 B11R1.40 NCC(O)CN1CCCCC1 Z234896811 [0,1,0,1,0,0|1,0,0]=3 437 B11R1.40 NC[C@@H](O)CN1CCOCC1 Z1255399817 [0,1,0,1,0,0|2,0,0]=4 438 B11R1.40 OC[C@@H](O)CN1CCSCC1 Z2945860299 [0,1,0,1,0,0|1,0,0]=3 439 B11R1.12 COC(C=O)C1CCCCC1 Z1511788569 [0,1,0,1,0,0|0,0,2]=4 440 B11R1.12 COC(CO)C1CCOCC1 Z2218585975 [0,1,0,1,0,0|1,0,0]=3 441 B11R1.12 NCC(CO)C1CCCCC1 Z1198184091 [0,1,0,1,0,0|1,0,0]=3 442 B11R1.83 CCCC1CCC(CC1)C=O Z1268606355 [0,1,0,1,0,0|1,0,1]=4 443 B11R1.83 CCCC1CCC(CC1)NC Z102767016 [0,1,0,1,0,0|2,0,0]=4 444 B11R1.83 CCCN1CCC(CC1)CO Z432864792 [0,1,0,1,0,0|2,0,0]=4 445 B11R1.83 CCC[C@H]1CC[C@@H](CC1)CN Z4103340391 [0,1,0,1,0,0|2,0,0]=4 446 B11R1.1155 COC1(CCCCCC1)C=O Z1511879942 [0,1,0,1,0,0|0,0,2]=4 447 B11R1.20 CC(O)CN1CCC(CC1)O Z600456440 [0,1,0,1,0,0|2,0,0]=4 448 B11R1.266 CC(C)N1CCCC(C1)CO Z103740620 [0,1,0,1,0,0|2,0,0]=4 449 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,1,0,1,0,0|1,0,1]=4 450 B11R1.565 CC(C)C1CCCC(CC1)N Z1258694827 [0,1,0,1,0,0|2,0,0]=4 451 B11R1.970 CCN1CCCC(C1)(N)CO Z3857603460 [0,1,0,1,0,0|2,0,0]=4 452 B11R1.7 CC(N)(CO)C1CCCCC1 Z1198745904 [0,1,0,1,0,0|1,0,0]=3 453 B11R1.7 CC(O)(CN)C1CCCCC1 Z3623512114 [0,1,0,1,0,0|1,0,0]=3 454 B11R1.7 CC(O)(CN)C1CCCCO1 Z3727374086 [0,1,0,1,0,0|2,0,0]=4 455 B11R1.139 CC(C)(CO)NCC1CCC1 Z1263590947 [0,1,0,1,0,0|2,0,0]=4 456 B11R1.410 NC1(CCCCCCC1)CO Z2738576692 [0,1,0,1,0,0|1,0,0]=3 457 B11R1.410 NCC1(CCCCCCC1)O Z4403452657 [0,1,0,1,0,0|1,0,0]=3 458 B11R1.568 NC1CCCCCCC1(F)F Z3281869143 [0,1,0,1,0,0|2,0,0]=4 459 B11R1.568 OC1CCCNCCC1(F)F Z4874662548 [0,1,0,1,0,0|2,0,0]=4 460 B11R1.1 CCCCC1CCC(CC1)N Z839028544 [0,1,0,1,0,0|2,0,0]=4 461 B11R1.1 CCCCN1CCC(CC1)N Z444349880 [0,1,0,1,0,0|2,0,0]=4 462 B11R1.1 NCCCN1CCC(CC1)O Z271005872 [0,1,0,1,0,0|2,0,0]=4 463 B11R1.228 CC1CCCN1C[C@H](O)CO Z2947223707 [0,1,0,1,0,0|0,0,0]=2 464 B11R1.852 CC(CN)N1CCCCCC1 Z228568778 [0,1,0,1,0,0|2,0,0]=4 465 B11R1.852 O=C(CO)N1CCCCCC1 Z228585382 [0,1,0,1,0,0|0,0,2]=4 466 B11R1.35 CC(CC1CCCC1)C(=O)O Z804901352 [0,1,0,1,0,0|1,0,1]=4 467 B11R1.35 NC(CC1CCCC1)C(=O)O Z1558210079 [0,1,0,1,0,0|1,0,1]=4 468 B11R1.35 O=C(O)C(O)CN1CCCC1 Z2310728139 [0,1,0,1,0,0|1,0,1]=4 469 B11R1.36 CC(C)C(O)C1CCCCC1 Z513750616 [0,1,0,1,0,0|1,0,0]=3 470 B11R1.36 CC(N)C(C)C1CCCCC1 Z1262659813 [0,1,0,1,0,0|2,0,0]=4 471 B11R1.36 CC(N)C(O)C1CCCCC1 Z975822834 [0,1,0,1,0,0|1,0,0]=3 472 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [0,1,0,1,0,0|1,0,1]=4 473 B11R1.36 NC(C(F)F)C1CCCCC1 Z2591198209 [0,1,0,1,0,0|2,0,0]=4 474 B11R1.36 O=C(O)C(O)C1CCCCC1 Z788000630 [0,1,0,1,0,0|0,0,1]=3 475 B11R1.36 O=C(O)C(O)C1CCCNC1 Z1964357511 [0,1,0,1,0,0|1,0,1]=4 476 B11R1.36 O=C(O)C(O)C1CCNCC1 Z3045554278 [0,1,0,1,0,0|1,0,1]=4 477 B11R1.36 OC(C(F)F)C1CCCCC1 Z1413814897 [0,1,0,1,0,0|1,0,0]=3 478 B11R1.36 OC(C(F)F)C1CCNCC1 Z5551849892 [0,1,0,1,0,0|2,0,0]=4 479 B11R1.520 CC1CCCCC1(N)C(=O)O Z317024760 [0,1,0,1,0,0|1,0,1]=4 480 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [0,1,0,1,0,0|1,0,1]=4 481 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,1,0,1,0,0|1,0,1]=4 482 B11R1.737 CC1(CCCCCC1)C(=O)O Z1255397317 [0,1,0,1,0,0|1,0,1]=4 483 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [0,1,0,1,0,0|1,0,1]=4 484 B11R1.737 O=C(O)C1(CCCCCC1)O Z787969976 [0,1,0,1,0,0|0,0,1]=3 485 B11R1.737 OC1(CCCCCC1)C(F)F Z1413814758 [0,1,0,1,0,0|1,0,0]=3 486 B11R2.36 NC1CCC2CCCC2C1 Z1259341392 [0,0,0,2,0,0|2,0,0]=4 487 B11R2.36 OC1CCC2CNCC2C1 Z2327226166 [0,0,0,2,0,0|2,0,0]=4 488 B11R2.164 NCC1CC2CCC1CC2 Z2380439346 [0,0,0,2,0,0|2,0,0]=4 489 B11R2.164 OCC1CN2CCC1CC2 Z274799154 [0,0,0,2,0,0|2,0,0]=4 490 B11R2.357 OC1CCC2CCNC1C2 Z2238768422 [0,0,0,2,0,0|2,0,0]=4 491 B11R2.357 O[C@@H]1CC[C@H]2CCN[C@H]1C2 Z3063687175 [0,0,0,2,0,0|2,0,0]=4 492 B11R2.742 NC1CCC2(CCC2)CC1 Z2651736681 [0,0,0,2,0,0|2,0,0]=4 493 B11R2.130 CC1C(CC2CCC1N2)O Z2738925514 [0,0,0,2,0,0|2,0,0]=4 494 B11R2.130 O[C@@H]1[C@@H](C[C@H]2CN[C@@H]1C2)O Z3766480416 [0,0,0,2,0,0|1,0,0]=3 495 B11R2.130 O[C@H]1[C@@H]2CC[C@@H](N2)C[C@H]1O Z4259736359 [0,0,0,2,0,0|1,0,0]=3 496 B11R2.167 N[C@@H]1CC2CC1[C@@H](C2)CO Z2868220151 [0,0,0,2,0,0|2,0,0]=4 497 B11R2.367 CC1C(C2CCN1CC2)O Z1255485787 [0,0,0,2,0,0|2,0,0]=4 498 B11R2.474 OC1CCCC2CCC1N2 Z3219595348 [0,0,0,2,0,0|1,0,0]=3 499 B11R2.1 CC1CNC2C1CCCC2 Z1202249435 [0,0,0,2,0,0|2,0,0]=4 500 B11R2.1 NC1COC2C1CCCC2 Z2313089042 [0,0,0,2,0,0|1,0,0]=3 501 B11R2.4 NC1CC1C2CCCCC2 Z1259273403 [0,0,0,2,0,0|2,0,0]=4 502 B11R2.13 NCC1CC12CCCCC2 Z3247610236 [0,0,0,2,0,0|2,0,0]=4 503 B11R2.13 OCC1CC12CCOCC2 Z1395679784 [0,0,0,2,0,0|2,0,0]=4 504 B11R2.40 OC1(CC1)C2CCCCC2 Z995000308 [0,0,0,2,0,0|1,0,0]=3 505 B11R2.40 OC1(CC1)C2CCCNC2 Z1813195497 [0,0,0,2,0,0|2,0,0]=4 506 B11R2.40 OC1(CC1)C2CCNCC2 Z1813195531 [0,0,0,2,0,0|2,0,0]=4 507 B11R2.239 C1CCC(CC1)C2CNC2 Z2216711539 [0,0,0,2,0,0|2,0,0]=4 508 B11R2.10 N[C@@H]1C[C@@H]2CCCC[C@@H]2C1 Z3211867630 [0,0,0,2,0,0|2,0,0]=4 509 B11R2.16 OC[C@@H]1C[C@@H]2CC[C@H](C1)N2 Z3235036994 [0,0,0,2,0,0|2,0,0]=4 510 B11R2.748 OC1CNC2(C1)CCCC2 Z2732544476 [0,0,0,2,0,0|1,0,0]=3 511 B11R2.15 NCC1CC2CCCC2C1 Z4133940794 [0,0,0,2,0,0|2,0,0]=4 512 B11R2.15 NCC1CC2CCCC2O1 Z2756214370 [0,0,0,2,0,0|1,0,0]=3 513 B11R2.15 OC[C@@H]1C[C@@H]2OCC[C@@H]2N1 Z3033608716 [0,0,0,2,0,0|2,0,0]=4 514 B11R2.32 NCC1CC1C2CCCC2 Z3035016249 [0,0,0,2,0,0|2,0,0]=4 515 B11R2.228 C#CC1(CC2CCC1C2)O Z1460824343 [0,0,0,2,0,0|1,0,1]=4 516 B11R2.228 NC1(CC2CCC1C2)CO Z4720563614 [0,0,0,2,0,0|1,0,0]=3 517 B11R2.229 NCC1(CC2C1CCC2)O Z4426112688 [0,0,0,2,0,0|1,0,0]=3 518 B11R2.711 N[C@@H]1C[C@H]2[C@@H]1CCCCC2 Z3616240777 [0,0,0,2,0,0|2,0,0]=4 519 B11R2.402 C[C@@]12CCCN[C@@H]1COC2 Z3614016658 [0,0,0,2,0,0|2,0,0]=4 520 B11R2.1098 NC[C@]12CCC[C@H]1CCO2 Z3267517630 [0,0,0,2,0,0|1,0,0]=3 521 B11R2.1098 OCC12CCCN1CCC2 Z1504677174 [0,0,0,2,0,0|2,0,0]=4 522 B11R2.1128 NCC12CCCC1(C2)CO Z4509550946 [0,0,0,2,0,0|2,0,0]=4 523 B11R2.1277 NCC1CCCC2(C1)CC2 Z1725999837 [0,0,0,2,0,0|2,0,0]=4 524 B11R2.1037 C1CC2CCNCC(C1)C2 Z3379439950 [0,0,0,2,0,0|2,0,0]=4 525 B11R2.271 NC1(CCC12CCC2)CO Z5774201259 [0,0,0,2,0,0|1,0,0]=3 526 B11R2.271 NCC1(CCC12CCC2)O Z5373429152 [0,0,0,2,0,0|1,0,0]=3 527 B11R2.432 N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@H]2O Z3824492556 [0,0,0,2,0,0|2,0,0]=4 528 B11R2.1473 N[C@@H]1COC2([C@H]1O)CCC2 Z4500758343 [0,0,0,2,0,0|2,0,0]=4 529 B11R2.1473 O[C@@H]1[C@@H](CNC12CCC2)O Z3892421840 [0,0,0,2,0,0|1,0,0]=3 530 B11R2.21 NCC1CCC(O1)C2CC2 Z2858552538 [0,0,0,2,0,0|1,0,0]=3 531 B11R2.222 NC1CC2CCC1(C2)CO Z3478535964 [0,0,0,2,0,0|2,0,0]=4 532 B11R2.222 N[C@@H]1C[C@@H]2CC[C@]1(C2)CO Z3485122069 [0,0,0,2,0,0|2,0,0]=4 533 B11R2.1009 NCC1CCC2(O1)CCC2 Z2785890877 [0,0,0,2,0,0|1,0,0]=3 534 B11R2.1009 O=CC1CCC2(O1)CCC2 Z2168517533 [0,0,0,2,0,0|0,0,2]=4 535 B11R2.1009 OCC1CC2(CCC2)CN1 Z3083079646 [0,0,0,2,0,0|2,0,0]=4 536 B11R2.1009 OCC1CCC2(N1)CCC2 Z3243126238 [0,0,0,2,0,0|1,0,0]=3 537 B11R2.1149 OCC12CCCN(C1)CC2 Z2432637535 [0,0,0,2,0,0|2,0,0]=4