0 B8R0.6 CCCCCC(=O)NO Z59181978 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.6 CCSCCC(C)NC Z1238713350 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 CCCCCCCO Z104473596 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.1 CCCCCCNC Z5419328797 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.1 CCCCOCCN Z409191398 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 CCCOCCCO Z1080358966 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 CCOCCCC#N Z295205414 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 CCOCCCCO Z993012560 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 CCSCCCC#N Z332378682 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CNCCCCCN Z4097840720 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.1 CNCCCCOC Z875082126 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 COCCCCC#N Z815260498 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 COCCCCCN Z608347192 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.1 COCCCCCO Z993012416 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.1 CSCCCCC#N Z823282284 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.1 CSCCCCCN Z823285026 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.1 CSCCCCCO Z968557058 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.1 CSCCCCSC Z1198148193 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.1 NCCCCCCN Z104473514 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 OCCCCCCBr Z1255398867 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.1 OCCCCCCO Z104473540 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.3 CCC(O)CCCN Z1259162031 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.3 CCCCC(C)NC Z446022384 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 CCCCC(N)CC Z3303777618 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.3 CCCCC(N)CN Z756921038 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 CCNCC(O)CC Z600449680 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.3 CCOCC(O)CN Z271097110 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.3 CCOCC(O)CO Z1178483452 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 CC(C)CCCCN Z1250132304 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 CC(N)CCCCN Z2186882580 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.4 CC(N)CCCCO Z2234185667 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.4 CCCCCC(C)N Z104495176 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CCCNCC(C)C Z90518190 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.4 CCCNCC(F)F Z1262250827 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 COCCCC(C)O Z854048762 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.4 NCCCCC(F)F Z4580667156 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.1 CC(C)COCC(O)CN Z285181512 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.5 C=CCN(C)CCNCC Z1889916984 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.5 CCCCCC(O)CCO Z1198158015 [0,1,0,0,0,0|0,0,2]=3 54 B9R0.20 CCCCCC(C)(C)CN Z995183114 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.46 C=CC(=O)OCCNCC Z5030116647 [0,1,0,0,0,0|1,0,2]=4 56 B9R0.46 CCCCCCC(C)CO Z1238840360 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.46 CCCCCCC(C)NN Z1691545122 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.46 CCCCCCC(C)OC Z1416182763 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.46 CCCCCCC(N)CC Z5869944669 [0,1,0,0,0,0|1,0,2]=4 60 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,1,0,0,0,0|1,0,2]=4 61 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,1,0,0,0,0|3,0,0]=4 64 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,1,0,0,0,0|3,0,0]=4 67 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,1,0,0,0,0|3,0,0]=4 68 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.1 CCN1CCC(CC1)O Z197264618 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.1 CC[C@@H]1CC[C@H](NC1)C Z3337244239 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [0,0,0,1,0,0|1,0,2]=4 72 B9R1.1 CNC1CCC(CC1)O Z138503904 [0,0,0,1,0,0|1,0,2]=4 73 B9R1.1 CN[C@H]1CC[C@H](CC1)O Z3241259883 [0,0,0,1,0,0|1,0,2]=4 74 B9R1.1 COC1CCC(CC1)O Z904962746 [0,0,0,1,0,0|1,0,2]=4 75 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,0,0,1,0,0|1,0,2]=4 76 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.2 CC1CCCC(C1)C#N Z415654834 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.2 CC1CNCC(O1)CO Z1509113623 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.2 CC1COCC(O1)CN Z4877532429 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.2 CCC1CNCC(O1)C Z405744530 [0,0,0,1,0,0|1,0,2]=4 83 B9R1.2 CNC1CCCC(C1)C Z367452444 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.2 C[C@@H]1CCC[C@@H](N1)CN Z3617085231 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.2 C[C@@H]1CCC[C@@H](N1)CO Z2738355370 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.3 CC1=C(C(CCC1)N)C Z3814443111 [0,0,0,1,0,0|1,0,2]=4 88 B9R1.3 CC1CCCC(C1C)N Z104478930 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.3 CC1CCCC(C1N)C Z359419654 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.3 CC1CCCC(C1N)O Z1509035391 [0,0,0,1,0,0|1,0,1]=3 91 B9R1.3 CC1CCCC(C1O)C Z335244846 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.3 CN1CCCC(C1=O)N Z1203581592 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,0,0,1,0,0|3,0,0]=4 94 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.5 NC1CCCCNC1=O Z281895050 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [0,0,0,1,0,0|1,0,1]=3 99 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,0,0,1,0,0|3,0,0]=4 102 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.7 CCCC1CCC(C1)N Z1233210255 [0,0,0,1,0,0|1,0,2]=4 104 B9R1.7 CNC[C@@H]1C[C@H](CN1)O Z2242008674 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.7 COC[C@@H]1C[C@@H](CN1)O Z2298137791 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.11 C#CC(N)C1CCCC1 Z5607208042 [0,0,0,1,0,0|1,0,2]=4 107 B9R1.11 C=CC(=O)N1CCCC1 Z440633532 [0,0,0,1,0,0|1,0,2]=4 108 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.11 CCC(N)C1CCCC1 Z513797602 [0,0,0,1,0,0|1,0,2]=4 110 B9R1.11 N#CC(O)C1CCOC1 Z419078510 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.11 NCC(O)C1CCOC1 Z2418537435 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.49 CC1CCCC(NC1)C Z1203830904 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.50 CC1CCCCCCN1 Z3487835965 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.50 NC1CCCCCCC1 Z104478188 [0,0,0,1,0,0|1,0,2]=4 115 B9R1.50 OC1CCCCCCC1 Z104472780 [0,0,0,1,0,0|0,0,2]=3 116 B9R1.79 NC(CO)CC1CCC1 Z1263593952 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.79 NCC(O)CC1CCC1 Z5787667532 [0,0,0,1,0,0|1,0,1]=3 118 B9R1.89 CCC1CCCCCN1 Z992736884 [0,0,0,1,0,0|1,0,2]=4 119 B9R1.89 CCC1CCNCCO1 Z3275232542 [0,0,0,1,0,0|1,0,2]=4 120 B9R1.89 CNC1CCCCCC1 Z102766800 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.89 FCC1CNCCCO1 Z2295370275 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.89 NCC1CCCCCC1 Z415655096 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,0,0,1,0,0|2,0,0]=3 125 B9R1.89 O=CC1CCCOCC1 Z1268606450 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.89 OCC1CCCCCC1 Z992928672 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.118 C#CC1(CCCNC1)O Z2740389421 [0,0,0,1,0,0|1,0,2]=4 128 B9R1.118 C#CC1(CCNCC1)O Z2679940955 [0,0,0,1,0,0|1,0,2]=4 129 B9R1.118 C=CC1(CCOCC1)N Z3092386482 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.118 C=CC1(COCCN1)C Z4613518721 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.118 CC1(CCCCC1)C#N Z1255495336 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.118 CC1(CCCCC1)CN Z1413780464 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.118 CC1(CCCCC1)CO Z1201620047 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.118 CC1(CCOCC1)C=O Z1255452107 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.118 CCC1(CCCCC1)N Z2235790648 [0,0,0,1,0,0|1,0,2]=4 138 B9R1.118 CCC1(CCCCC1)O Z449370576 [0,0,0,1,0,0|0,0,2]=3 139 B9R1.118 CCC1(CCNCC1)O Z1267885912 [0,0,0,1,0,0|1,0,2]=4 140 B9R1.118 CNC1(CCCCC1)C Z4646023133 [0,0,0,1,0,0|2,0,1]=4 141 B9R1.118 N#CC1(CCCCC1)N Z56968513 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.118 N#CC1(CCOCC1)O Z440604900 [0,0,0,1,0,0|2,0,1]=4 143 B9R1.118 NC1(CCCCC1)CO Z2417556977 [0,0,0,1,0,0|2,0,1]=4 144 B9R1.118 NCC1(CCCCC1)Br Z1982417702 [0,0,0,1,0,0|2,0,1]=4 145 B9R1.118 NCC1(CCCCC1)N Z235344715 [0,0,0,1,0,0|2,0,1]=4 146 B9R1.118 NCC1(CCCCC1)O Z363991148 [0,0,0,1,0,0|1,0,1]=3 147 B9R1.118 NCC1(CCCSC1)O Z4951242636 [0,0,0,1,0,0|2,0,1]=4 148 B9R1.118 NCC1(CCNCC1)O Z778383858 [0,0,0,1,0,0|2,0,1]=4 149 B9R1.118 NCC1(CCSCC1)O Z803080496 [0,0,0,1,0,0|2,0,1]=4 150 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [0,0,0,1,0,0|2,0,0]=3 151 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.118 O=CC1(CCOCC1)Cl Z1511915339 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.118 OCC1(CCCNC1)O Z2284393168 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.118 OCC1(CCNCC1)O Z2522871031 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.118 OCC1(CCOCC1)O Z1537124723 [0,0,0,1,0,0|2,0,1]=4 156 B6R0.6 C=CCCCCN Z1198160046 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.6 C=CCNCCO Z137800938 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.6 C=CCOCCN Z976678988 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.6 C=CCSCCN Z1262237162 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.6 CCCCCCO Z104473568 [2,0,0,0,0,0|0,0,0]=2 161 B6R0.6 CCCOCCN Z4449042604 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.6 CCNCCCF Z1203824341 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.6 CCNCCCO Z138139914 [2,0,0,0,0,0|1,0,0]=3 164 B6R0.6 CCOCCCO Z1080358490 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.6 CNCCCCN Z2939606540 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.6 CNCCCCO Z839096662 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.6 COCCCCO Z431605254 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.6 N#CCCCCO Z431952150 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.6 NCCCCCF Z3524160733 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.6 NCCCCCN Z951173830 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.6 OCCNCCO Z104475196 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.1 CCCC(O)CN Z419084742 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.4 CC(O)CCCN Z1198178891 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.4 CCCCB(O)O Z1147227739 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|1,0,1]=4 176 B6R0.4 CCCCC(C)N Z3300506318 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.4 CCNCC(C)O Z138692768 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.4 CNCCC(C)O Z1203731868 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.4 COCCC(C)O Z818738042 [2,0,0,0,0,0|1,0,1]=4 180 B8R0.1 C=CCCC(=O)CCC Z406377524 [1,1,0,0,0,0|0,0,1]=3 181 B8R0.4 C#CCCCCCCN Z3847490647 [1,1,0,0,0,0|0,0,2]=4 182 B8R0.4 C#CCCCCCCO Z1198157198 [1,1,0,0,0,0|0,0,2]=4 183 B8R0.4 C=CCCCCCCN Z1198263320 [1,1,0,0,0,0|0,0,0]=2 184 B8R0.4 CCCCCCCCO Z104473500 [1,1,0,0,0,0|0,0,2]=4 185 B8R0.4 CCCCCNCCO Z137800944 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.4 CCCCNCCCC Z102766286 [1,1,0,0,0,0|0,0,2]=4 187 B8R0.4 CCCCNCCCO Z102766210 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.4 NCCCCCCCN Z275166586 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.4 NCCCCCCCO Z3016956569 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.7 CC(C)CCCCCO Z1198149583 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.7 CCCCCCC(=N)N Z4088236340 [1,1,0,0,0,0|1,0,0]=3 192 B8R0.7 CCCCCCC(=O)O Z104474412 [1,1,0,0,0,0|1,0,0]=3 193 B8R0.7 CCCCCCC(C)N Z104477186 [1,1,0,0,0,0|0,0,2]=4 194 B8R0.7 CCCCCNC(=N)N Z1090000368 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.7 CCCCNCC(=O)N Z398513412 [1,1,0,0,0,0|2,0,0]=4 196 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,0,0,0,0|2,0,0]=4 197 B8R0.7 CCCCSCC(=O)O Z239951532 [1,1,0,0,0,0|2,0,0]=4 198 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,1,0,0,0,0|2,0,0]=4 199 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.7 CCOCCCC(=O)O Z316258950 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.7 CCSCCCC(=N)N Z1861964086 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,1,0,0,0,0|2,0,0]=4 203 B8R0.7 CNCCCCC(C)C Z5530305220 [1,1,0,0,0,0|1,0,1]=4 204 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.7 CSCCCCC(=O)O Z732206636 [1,1,0,0,0,0|2,0,0]=4 206 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,1,0,0,0,0|2,0,0]=4 208 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,1,0,0,0,0|2,0,0]=4 209 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,1,0,0,0,0|1,0,1]=4 210 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,1,0,0,0,0|2,0,0]=4 211 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,0,0,0,0|2,0,0]=4 212 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,1,0,0,0,0|1,0,0]=3 213 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,0,0,0,0|2,0,0]=4 214 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,0,0,0,0|2,0,0]=4 215 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [1,1,0,0,0,0|2,0,0]=4 217 B8R0.9 CC(C)CCC(O)CO Z1617994519 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.9 CCC(O)CCC(C)C Z838962512 [1,1,0,0,0,0|0,0,2]=4 219 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|1,0,1]=4 221 B8R0.21 CC(C)(O)CCCCO Z1725965028 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.21 CCCNCC(C)(C)O Z600453870 [1,1,0,0,0,0|1,0,1]=4 223 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,0,0,0,0|1,0,1]=4 225 B8R0.28 CC(O)CCCN(C)C Z902046982 [1,1,0,0,0,0|1,0,1]=4 226 B10R0.65 C=CC(C)(O)CCC=C(C)C Z1255402668 [0,2,0,0,0,0|0,0,2]=4 227 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,2,0,0,0,0|2,0,0]=4 228 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,2,0,0,0,0|2,0,0]=4 229 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,2,0,0,0,0|1,0,1]=4 230 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,2,0,0,0,0|0,0,1]=3 231 B10R0.83 CCCCCC(N)C(=O)OC Z1398461596 [0,2,0,0,0,0|1,0,1]=4 232 B10R0.83 CCCCCC(O)C(=O)OC Z965047444 [0,2,0,0,0,0|0,0,1]=3 233 B10R0.81 CCCCC(N)C(O)C(=O)O Z1238572379 [0,2,0,0,0,0|1,0,0]=3 234 B10R0.42 CCCCCC(C)(C)C(=O)O Z995179614 [0,2,0,0,0,0|2,0,0]=4 235 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,2,0,0,0,0|2,0,0]=4 236 B10R0.74 CCOCCOCC(O)CN Z285181508 [0,2,0,0,0,0|1,0,1]=4 237 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,2,0,0,0,0|2,0,0]=4 238 B10R0.86 CCCCCC(CC)C(=O)O Z756391304 [0,2,0,0,0,0|0,0,2]=4 239 B8R1.2 C#CC1CCCCC1 Z1255457380 [1,0,0,1,0,0|0,0,2]=4 240 B8R1.2 C=CC1CCCCN1 Z2142036752 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.2 C=CC1CCCNC1 Z2740400893 [1,0,0,1,0,0|1,0,0]=3 242 B8R1.2 C=CC1CCNCC1 Z1266933822 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.2 CCC1CCCCN1 Z839028612 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.2 CCC1CCCNC1 Z381019246 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.2 COC1C=CCNC1 Z3615520660 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.2 N#CC1CCCCC1 Z210803886 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.2 NCC1CCCCC1 Z235354645 [1,0,0,1,0,0|1,0,1]=4 248 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.2 O=CC1CCOCC1 Z979759508 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.2 O=CC1CCSCC1 Z1201622265 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.2 O=CN1CCCCC1 Z1255415437 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.2 OCC1C=CCCN1 Z4430264645 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.2 OCC1CCCCC1 Z104503428 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.5 CC1CCCCC1=O Z104477192 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.5 CC1CCCCC1O Z104478402 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.5 CC1CCCNC1=O Z1013766916 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.5 CC1CNCCC1=O Z1741969235 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.5 CC1COCCC1=O Z1192338803 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.5 CC1SCCCC1=O Z1359849054 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.5 NC1CCCCC1=O Z2186882796 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.5 O=C1CCCCC1Cl Z94598693 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.8 CCCC1CCNC1 Z940902738 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.8 CNCC1CCCC1 Z1162448850 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.8 COCC1C=CCN1 Z4442497224 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.8 N#CCC1CCCC1 Z804898574 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.8 NCCC1CCCC1 Z398556750 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.8 O=CCC1CCCC1 Z993017732 [1,0,0,1,0,0|1,0,0]=3 274 B8R1.8 O=CCC1CCCO1 Z1183458964 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.8 O=CCC1CCOC1 Z1138844345 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.8 OCCC1CCCC1 Z397587408 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [1,0,0,1,0,0|1,0,0]=3 278 B8R1.9 C[C@@H]1C[C@H]1CCCN Z4081421787 [1,0,0,1,0,0|1,0,1]=4 279 B8R1.10 NCCCC1CCC1 Z2522552643 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.10 O=CCCC1CCC1 Z1717769279 [1,0,0,1,0,0|1,0,0]=3 281 B8R1.10 O=CCCC1CCO1 Z2327124310 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.11 C=C[C@H]1CNC[C@H]1O Z5042750192 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.11 CC1CCCC1C#N Z1258611152 [1,0,0,1,0,0|1,0,1]=4 285 B8R1.11 CC1CCCC1C=O Z1268606470 [1,0,0,1,0,0|1,0,0]=3 286 B8R1.11 CC1OCCC1C=O Z1342837783 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.11 CCC1CCCC1=O Z813018310 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.11 CCC1CCCC1N Z813018518 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.11 CCC1CCNC1=O Z1203732458 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.11 CCN1CCCC1=O Z1255438420 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.17 CCC[C@@H]1C[C@H]1CN Z3247491743 [1,0,0,1,0,0|1,0,1]=4 292 B8R1.22 CC1CCCCNC1 Z1723849152 [1,0,0,1,0,0|1,0,1]=4 293 B8R1.22 NC1CCCCCC1 Z104477488 [1,0,0,1,0,0|1,0,1]=4 294 B8R1.22 O=C1CCCCCC1 Z104473100 [1,0,0,1,0,0|1,0,0]=3 295 B8R1.36 C=CCNCC1CC1 Z431957590 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.36 O=CCCCC1CC1 Z1511869605 [1,0,0,1,0,0|1,0,0]=3 297 B8R1.49 C1CCCNCCC1 Z104480232 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.1 CC1CCC(O1)C#N Z1438313776 [1,0,0,1,0,0|1,0,1]=4 300 B8R1.1 CC1CCC(O1)CN Z1438307598 [1,0,0,1,0,0|1,0,1]=4 301 B8R1.3 CC1CCC(CC1)O Z104476106 [1,0,0,1,0,0|0,0,2]=4 302 B8R1.3 CC1CCC(CN1)O Z2350906968 [1,0,0,1,0,0|1,0,1]=4 303 B8R1.3 CC1CCC(CO1)O Z1898581838 [1,0,0,1,0,0|1,0,1]=4 304 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [1,0,0,1,0,0|1,0,1]=4 306 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.38 CCC(O)C1CCC1 Z1255407680 [1,0,0,1,0,0|0,0,2]=4 308 B8R1.38 NCC(O)C1CCC1 Z2238624890 [1,0,0,1,0,0|1,0,1]=4 309 B8R1.40 NCC(O)CC1CC1 Z2310701824 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.47 CCC1CC(C1)C=O Z3243131887 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.52 C#CC1(CCCC1)O Z57953034 [1,0,0,1,0,0|0,0,2]=4 312 B8R1.52 C=CC1(CCCC1)N Z3042074267 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.52 CC1(CCCC1)C=O Z1255466724 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.52 N#CC1(CCCC1)O Z419078448 [1,0,0,1,0,0|1,0,1]=4 315 B8R1.52 NCC1(CCCC1)O Z330827814 [1,0,0,1,0,0|1,0,1]=4 316 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.52 OCC1(CCCC1)O Z1258947137 [1,0,0,1,0,0|1,0,1]=4 318 B8R1.4 CC1=CC(CCC1)N Z3895215954 [1,0,0,1,0,0|1,0,1]=4 319 B8R1.4 CC1=CC(CCC1)O Z1255423437 [1,0,0,1,0,0|0,0,1]=3 320 B8R1.4 CC1CCCC(C1)N Z367450918 [1,0,0,1,0,0|1,0,1]=4 321 B8R1.4 CC1CCCC(N1)C Z104474330 [1,0,0,1,0,0|1,0,1]=4 322 B8R1.4 CC1CNCC(C1)O Z2255082098 [1,0,0,1,0,0|1,0,1]=4 323 B8R1.4 CC1CNCC(O1)C Z104472602 [1,0,0,1,0,0|1,0,1]=4 324 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [1,0,0,1,0,0|1,0,1]=4 326 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [1,0,0,1,0,0|1,0,1]=4 327 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [1,0,0,1,0,0|1,0,1]=4 329 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [1,0,0,1,0,0|1,0,1]=4 330 B8R1.4 NC1CCCC(C1)O Z2724335128 [1,0,0,1,0,0|1,0,1]=4 331 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [1,0,0,1,0,0|1,0,1]=4 332 B8R1.6 CCOC1CC(C1)O Z1273088178 [1,0,0,1,0,0|1,0,1]=4 333 B8R1.6 NCCC1CC(C1)O Z1868316842 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.6 NCC[C@H]1C[C@H](C1)O Z2310717957 [1,0,0,1,0,0|1,0,1]=4 335 B8R1.7 CC(N)C1CCCC1 Z513797688 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.7 CC(O)C1CCNC1 Z1198184307 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.7 CC(O)C1CCOC1 Z1138843471 [1,0,0,1,0,0|1,0,1]=4 338 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [1,0,0,1,0,0|1,0,1]=4 339 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [1,0,0,1,0,0|1,0,1]=4 340 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|1,0,1]=4 342 B8R1.7 OB(O)C1CCCC1 Z1147227731 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.19 CC1CCCC1(C)N Z1509036056 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [1,0,0,1,0,0|1,0,1]=4 345 B8R1.34 CC(N)CC1CCC1 Z2724375312 [1,0,0,1,0,0|1,0,1]=4 346 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|1,0,1]=4 347 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|1,0,1]=4 348 B8R1.72 CC1(CCCCC1)N Z752370810 [1,0,0,1,0,0|1,0,1]=4 349 B8R1.72 CC1(CCCCC1)O Z449370586 [1,0,0,1,0,0|0,0,1]=3 350 B8R1.72 CC1(CCNCC1)O Z1416200885 [1,0,0,1,0,0|1,0,1]=4 351 B10R1.13 CC(C)C1CCC(CC1)O Z995158660 [0,1,0,1,0,0|0,0,2]=4 352 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,1,0,1,0,0|2,0,0]=4 353 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,1,0,1,0,0|1,0,0]=3 354 B10R1.31 NCC1CCC(O1)C(=O)N Z1416203149 [0,1,0,1,0,0|2,0,0]=4 355 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,1,0,1,0,0|2,0,0]=4 356 B10R1.79 OC1CCCC(CCC1)O Z425448828 [0,1,0,1,0,0|0,0,2]=4 357 B10R1.153 NCC(O)COCC1CC1 Z332379858 [0,1,0,1,0,0|1,0,1]=4 358 B10R1.171 CC1(CCCC(C1)C=O)C Z1147526330 [0,1,0,1,0,0|2,0,0]=4 359 B10R1.171 CC1(CCCC(O1)CN)C Z1836444614 [0,1,0,1,0,0|1,0,1]=4 360 B10R1.277 CC1CCCC(C(=O)N1)C Z1203747900 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.301 CC1(CCCC(C1=O)Cl)C Z1262482353 [0,1,0,1,0,0|2,0,0]=4 362 B10R1.479 CC1(CCCC1(O)CN)C Z1350880378 [0,1,0,1,0,0|1,0,1]=4 363 B10R1.485 CC1CCCC(C1)(O)CN Z419085008 [0,1,0,1,0,0|1,0,1]=4 364 B10R1.11 N#CCC(O)C1CCCC1 Z1310718848 [0,1,0,1,0,0|0,0,2]=4 365 B10R1.19 COC1CCCCCC1N Z1357823917 [0,1,0,1,0,0|1,0,1]=4 366 B10R1.19 NC1CCCCCC1CO Z1407007412 [0,1,0,1,0,0|1,0,1]=4 367 B10R1.19 O=C1CCCCCN1CO Z162882232 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.19 O=C1NCCCCC1CO Z2756841892 [0,1,0,1,0,0|2,0,0]=4 369 B10R1.19 O=CC1CCCCCC1=O Z854045270 [0,1,0,1,0,0|1,0,1]=4 370 B10R1.25 CC[C@@H]1CC[C@@H](NC1=O)C Z2467219756 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.25 CC[C@@H]1CC[C@H](NC1=O)C Z2472577622 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.85 O=CCC1CCCCCC1 Z1268611681 [0,1,0,1,0,0|1,0,1]=4 373 B10R1.377 C#CCC1(CCCCC1)O Z1098923664 [0,1,0,1,0,0|0,0,2]=4 374 B10R1.377 C=CCC1(CCNCC1)O Z2805801401 [0,1,0,1,0,0|1,0,0]=3 375 B10R1.377 CNCC1(CCCCC1)O Z5877642793 [0,1,0,1,0,0|0,0,2]=4 376 B10R1.377 NCCC1(CCCCC1)O Z3014013619 [0,1,0,1,0,0|0,0,2]=4 377 B10R1.15 C=CC(=O)N1CCCCC1 Z440633600 [0,1,0,1,0,0|0,0,2]=4 378 B10R1.15 CC(C=O)C1CCCCC1 Z1198160362 [0,1,0,1,0,0|2,0,0]=4 379 B10R1.15 CC(C=O)C1CCOCC1 Z3242951087 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.15 CCC(O)C1CCCCC1 Z513751136 [0,1,0,1,0,0|0,0,2]=4 381 B10R1.15 CCC(O)C1CCCCN1 Z1157652498 [0,1,0,1,0,0|0,0,2]=4 382 B10R1.15 NCC(O)C1CCCCC1 Z234895869 [0,1,0,1,0,0|1,0,1]=4 383 B10R1.15 NCC(O)C1CCOCC1 Z1863617870 [0,1,0,1,0,0|1,0,1]=4 384 B10R1.15 OCC(O)C1CCNCC1 Z3093892499 [0,1,0,1,0,0|1,0,1]=4 385 B10R1.275 CN1CCCCC(C1=O)N Z3487038024 [0,1,0,1,0,0|2,0,0]=4 386 B10R1.332 NC1CC[C@@H]([C@@H](CC1)O)O Z2827859398 [0,1,0,1,0,0|1,0,1]=4 387 B10R1.6 C=CS(=O)(=O)C1CCCC1 Z1094759230 [0,1,0,1,0,0|1,0,1]=4 388 B10R1.6 CC(C)(C=O)C1CCCC1 Z1813208695 [0,1,0,1,0,0|2,0,0]=4 389 B10R1.6 CC(O)(CN)C1CCCC1 Z993956456 [0,1,0,1,0,0|1,0,1]=4 390 B10R1.102 CC(C)(C=O)CC1CCC1 Z2301244501 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.232 CC1(CCCCCC1)C=O Z1511825776 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.3 CCC1CCC(CC1)C=O Z1216817908 [0,1,0,1,0,0|2,0,0]=4 393 B10R1.151 C=CC(=O)NCC1CCC1 Z440634746 [0,1,0,1,0,0|0,0,2]=4 394 B10R1.473 CCC1(CCC(CC1)N)O Z1268604751 [0,1,0,1,0,0|0,0,2]=4 395 B10R1.8 CC1CC(CC(C1)C=O)C Z1250005172 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.27 C=CC(=O)NC1CCCC1 Z440633566 [0,1,0,1,0,0|0,0,2]=4 397 B10R1.27 NCC(O)CC1CCCC1 Z5195336263 [0,1,0,1,0,0|1,0,1]=4 398 B10R1.149 C=CC(=O)N1CCCC1C Z666127444 [0,1,0,1,0,0|0,0,2]=4 399 B10R1.1 CCCN1CCC(CC1)O Z197264630 [0,1,0,1,0,0|0,0,2]=4 400 B10R1.1 CCOC1CCC(CC1)O Z1652659072 [0,1,0,1,0,0|0,0,2]=4 401 B10R1.2 CN1CCCC(C1=O)CO Z1255357749 [0,1,0,1,0,0|2,0,0]=4 402 B10R1.87 CCSC1CCC1(O)CN Z1324054881 [0,1,0,1,0,0|1,0,1]=4 403 B10R1.161 O=CC1CCCCCCC1 Z1162184415 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.172 CCC1CC(CCO1)C=O Z1268606368 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.172 CCC1CCCC(C1)C=O Z1217182162 [0,1,0,1,0,0|2,0,0]=4 406 B10R1.172 COC1CCCC(C1)C=O Z1509050363 [0,1,0,1,0,0|2,0,0]=4 407 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,1,0,0|2,0,0]=4 409 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,1,0,0|2,0,0]=4 412 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,1,0,0|1,0,0]=3 413 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,1,0,0|2,0,0]=4 414 B10R1.113 C[C@@H]1CNCC(O1)C(=O)N Z1413022387 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,1,0,1,0,0|2,0,0]=4 417 B10R1.291 CC1CCCC1(N)C(=O)N Z1258614045 [0,1,0,1,0,0|2,0,0]=4 418 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,1,0,1,0,0|1,0,1]=4 420 B10R1.348 N=C(N)C1CCCCCC1 Z3245416298 [0,1,0,1,0,0|2,0,0]=4 421 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,1,0,1,0,0|2,0,0]=4 422 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [0,1,0,1,0,0|1,0,1]=4 423 B10R1.363 CC(N)C1(CCCCC1)O Z3069017023 [0,1,0,1,0,0|0,0,2]=4 424 B10R1.363 CC1(CCCCC1)C(=N)N Z1262681045 [0,1,0,1,0,0|2,0,0]=4 425 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,1,0,0|2,0,0]=4 426 B10R1.363 NC(=O)C1(CCCCC1)N Z426041556 [0,1,0,1,0,0|2,0,0]=4 427 B10R1.363 NC(=O)C1(CCCCC1)O Z965048712 [0,1,0,1,0,0|1,0,0]=3 428 B10R1.363 NC(=O)C1(CCCNC1)O Z2096087370 [0,1,0,1,0,0|2,0,0]=4 429 B10R1.363 NC(=O)C1(CCNCC1)O Z2009847968 [0,1,0,1,0,0|2,0,0]=4 430 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,1,0,0|1,0,0]=3 431 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,1,0,0|2,0,0]=4 432 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,1,0,0|2,0,0]=4 433 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,1,0,0|2,0,0]=4 434 B10R1.9 COC(C=O)C1CCCC1 Z2694746120 [0,1,0,1,0,0|1,0,0]=3 435 B10R1.9 COC(C=O)C1CCOC1 Z2271226932 [0,1,0,1,0,0|2,0,0]=4 436 B10R1.9 OCC(CO)C1CCCC1 Z1611950299 [0,1,0,1,0,0|1,0,1]=4 437 B10R1.122 CNC(CO)CC1CCC1 Z5463300860 [0,1,0,1,0,0|1,0,1]=4 438 B10R1.122 COC(CN)CC1CCC1 Z6036744340 [0,1,0,1,0,0|1,0,1]=4 439 B10R1.487 C=CC1(CCNCC1)CO Z4325426212 [0,1,0,1,0,0|1,0,0]=3 440 B10R1.487 C=CC1(CCOCC1)C=O Z3681226378 [0,1,0,1,0,0|1,0,1]=4 441 B10R1.487 CCC1(CCCCC1)C=O Z1813169566 [0,1,0,1,0,0|2,0,0]=4 442 B10R1.487 COC1(CCCCC1)C#N Z1270206890 [0,1,0,1,0,0|1,0,1]=4 443 B10R1.487 COC1(CCCCC1)C=O Z1511879806 [0,1,0,1,0,0|1,0,0]=3 444 B10R1.487 COC1(CCCCC1)CO Z1813531134 [0,1,0,1,0,0|1,0,1]=4 445 B10R1.487 COC1(CCCOC1)C=O Z2301377234 [0,1,0,1,0,0|2,0,0]=4 446 B10R1.487 COC1(CCOCC1)C=O Z1511770711 [0,1,0,1,0,0|2,0,0]=4 447 B10R1.487 N#CC1(CCCCC1)CO Z1251358450 [0,1,0,1,0,0|1,0,1]=4 448 B10R1.487 NCC1(CCCCC1)CO Z1365534339 [0,1,0,1,0,0|1,0,1]=4 449 B10R2.62 NC1CC2C=CC1CC2 Z2901973327 [0,0,0,2,0,0|2,0,0]=4 450 B10R2.109 O=CC1CCC2CC2C1 Z1511916116 [0,0,0,2,0,0|2,0,0]=4 451 B10R2.178 NC1CCC2CCC1O2 Z3478580742 [0,0,0,2,0,0|1,0,1]=4 452 B10R2.178 O=C1CC[C@H]2CO[C@@H]1O2 Z1513597501 [0,0,0,2,0,0|2,0,0]=4 453 B10R2.178 O=C1NC[C@@H]2CC[C@H]1O2 Z2831582980 [0,0,0,2,0,0|2,0,0]=4 454 B10R2.442 O=CC12CCC(C1)CC2 Z1511750768 [0,0,0,2,0,0|2,0,0]=4 455 B10R2.99 NC[C@@H]1CC2C=CC1C2 Z1255369258 [0,0,0,2,0,0|2,0,0]=4 456 B10R2.99 O=CC1CC2CCC1C2 Z1079442802 [0,0,0,2,0,0|2,0,0]=4 457 B10R2.99 OCC1NC2C=CC1C2 Z1509038159 [0,0,0,2,0,0|2,0,0]=4 458 B10R2.41 O=C1C2CCCC1CC2 Z445152472 [0,0,0,2,0,0|2,0,0]=4 459 B10R2.26 N[C@H]1[C@H]2CCC[C@H]2[C@H]1O Z3377446805 [0,0,0,2,0,0|1,0,1]=4 460 B10R2.14 OC1CNC(C1)C2CC2 Z2706744558 [0,0,0,2,0,0|1,0,1]=4 461 B10R2.32 O[C@@H]1CC[C@@H]2[C@H]1NCC2 Z2687578440 [0,0,0,2,0,0|1,0,1]=4 462 B10R2.32 O[C@@H]1CC[C@H]2[C@@H]1NCC2 Z3511194672 [0,0,0,2,0,0|1,0,1]=4 463 B10R2.332 OC1CNC2(C1)CCC2 Z2857543141 [0,0,0,2,0,0|1,0,1]=4 464 B10R2.18 C1=CC2OC2CCCC1 Z2587768194 [0,0,0,2,0,0|0,0,0]=2 465 B10R2.120 O=CC12CCCCC1C2 Z1511761211 [0,0,0,2,0,0|2,0,0]=4 466 B10R2.513 O=CC1C2C1CCCC2 Z1464130482 [0,0,0,2,0,0|2,0,0]=4 467 B10R2.93 O=CC1C[C@@H]2CC[C@@H]2C1 Z3098852334 [0,0,0,2,0,0|2,0,0]=4 468 B10R2.403 O=CC1CCC2(C1)CC2 Z1511858323 [0,0,0,2,0,0|2,0,0]=4