0 B9R0.2 CC(=O)OCCCCCBr B43861 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.2 NCCCCCCC(=O)O A46516 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 NCCCCCCC(=O)O A67452 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.2 O=C(O)CCCCCCBr B43862 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 O=C(O)CCCCCCO H36659 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.4 CCCCCCCNC M47212 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,0,0,0,0,0|0,0,3]=4 7 B8R0.7 O=C(O)CCCCCBr B67880 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 O=C(O)CCCCCCl C41527 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.7 O=C([O-])CCCCCO P41406 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.3 CC(C)=CCC[C@H](C)CCO D53336 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.4 CCCCCCCCC(C)=O D53335 [0,1,0,0,0,0|0,0,2]=3 12 B10R0.4 CCCCCC\C=C\B(O)O O4840 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.4 NCCCCCCCC(=O)O A69217 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.4 O=C(O)CCCCCCCBr B47140 [0,1,0,0,0,0|1,0,2]=4 15 B10R0.22 CCCCCCOS(C)(=O)=O H43951 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.74 CCCCCCCC(=O)NO X67416 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.74 COC(=O)CCCCCCBr M47141 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.74 COC(=O)CCCCCCN M49584 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.74 NCC(=O)NCCCCCBr A43903 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.75 CCCCCC[C@H](N)C(=O)O A37358 [0,1,0,0,0,0|1,0,2]=4 21 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [0,0,0,1,0,0|1,0,2]=4 22 B10R1.16 CCCCN1C=C[N+](C)=C1 B67933 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.16 CCCC[N+]1=CN(C)C=C1 B46621 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.18 CC(=O)NC1CCNCC1 A43874 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.18 O=C(O)C=C1CCNCC1 P64007 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.18 O=C(O)CC1CCCCC1 C69214 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.39 CCN1C=CC=C1C(C)=O E46916 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.66 O=C(O)CCC1CCCC1 C69098 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.78 O=C1CCCCCCCN1 A62814 [0,0,0,1,0,0|1,0,1]=3 30 B10R1.348 CC(=O)N1CCCNCC1 D43875 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.348 NC(=O)C1CCCCCC1 C47114 [0,0,0,1,0,0|1,0,2]=4 32 B7R0.1 C=CCCCCCBr B43831 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.1 C=CCCCCNC M43901 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.1 C=CCCCCNC M46504 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.4 CC(=O)CCCCBr B41532 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.4 CC(=O)OCCCBr B41266 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.4 CC(=O)OCCCCl C39190 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.4 CCCCC[C@H](C)O H43947 [2,0,0,0,0,0|0,0,2]=4 39 B7R0.4 CCCCOC(N)=O B39165 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.4 CCCOCC(=O)O P40387 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.4 CCC\C=C\C(=O)O H41460 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.4 CCOC=CC(=O)O E41226 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 CNCCCC(=O)O M63276 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.4 COCCCC(=O)O M67387 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 COC\C=C\C(=O)O M63576 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 O=C(O)CCCCBr B39187 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 O=C(O)CCCCCl C39191 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 O=C(O)CCCCO H37199 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 O=C([O-])CCCCO S41306 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.55 CC(=O)CCCOC(C)=O X62778 [1,1,0,0,0,0|1,0,1]=4 54 B11R0.30 CC(=O)CCCCCCC(C)=O D53269 [0,2,0,0,0,0|0,0,2]=4 55 B11R0.40 CCCCCCC=CC(=O)OC M39622 [0,2,0,0,0,0|0,0,0]=2 56 B11R0.42 CCCCCCCC(=O)N(C)C D53345 [0,2,0,0,0,0|0,0,2]=4 57 B11R0.77 C=C[C@H](CCCCC)OC(C)=O X53270 [0,2,0,0,0,0|1,0,1]=4 58 B9R1.12 N#C\C=C\C1CCCC1 C24427 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.50 O=C1CCCCCCC1 C67881 [1,0,0,1,0,0|0,0,2]=4 61 B9R1.50 O=C1CCCCCCN1 A69570 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.89 COC1=NCCCCC1 M43840 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.2 CCN1CCNC(=O)C1 E43465 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.6 CC(=O)C1CCCCC1 C25535 [1,0,0,1,0,0|0,0,1]=3 68 B9R1.6 CC(=O)C1CCNCC1 P69462 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.6 CC(=O)C1CCOCC1 T11195 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.6 CC(=O)N1CCNCC1 A67843 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.6 O=C(O)C1=CCCCO1 D43311 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.6 O=C(O)C1=COCCC1 D23573 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.6 O=C(O)C1CCCCC1 C64950 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.6 O=C(O)N1CCCCC1 P62582 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.13 O=C(O)CC1CCCC1 C16642 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [1,0,0,1,0,0|2,0,0]=4 82 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.91 O=C(O)\C=C\C1CCCCC1 C9422 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 H47124 [0,1,0,1,0,0|1,0,1]=4 85 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.25 COC(=O)CNC1CCCC1 M49568 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.36 O=C(O)C(=O)C1CCCCC1 C23673 [0,1,0,1,0,0|1,0,1]=4 89 B11R2.10 O=C1C=C2CNCC[C@@H]2S1 H15621 [0,0,0,2,0,0|2,0,0]=4 90 B11R2.10 O=C1C=C2CNCC[C@@H]2S1 T46580 [0,0,0,2,0,0|2,0,0]=4 91 B11R2.433 O=C1CC2CCN(CC2)C1 A12979 [0,0,0,2,0,0|1,0,1]=4