0 B9R0.5 CCOC(=O)CCCNC AB10379 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.5 CCOC(=O)CNCCN FD21627 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.1 CCCC[C@H](N)CCO D73273 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.1 CCNC(=O)NCCO AT23087 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.1 CCOC(=O)NCCN AT13715 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.4 CCC#CCCCCC T72039 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.4 OCCCOCCCCl D84666 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.6 CNC(=O)OCCCN AT13711 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.6 COC(=O)NCCCN AT13710 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.1 CCOC(=O)CCCCCN 77390 [0,1,0,0,0,0|2,0,0]=3 10 B10R0.1 CCOC(=O)COCCCO S11911 [0,1,0,0,0,0|2,0,0]=3 11 B10R0.2 CCCC(=O)CC(=O)CCC AC4162 [0,1,0,0,0,0|1,0,1]=3 12 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,1,0,0,0,0|2,0,0]=3 13 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,1,0,0,0,0|1,0,2]=4 14 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.11 CCOC(=O)[C@@H]1CCCS1 98589 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC7559 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.11 CCOC(=O)[C@H]1CCSC1 W10963 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.11 NCCC(=O)N1CCCC1 C78391 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.11 O=C(CCCl)N1CCCC1 C78373 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.19 CCN1CCCNCC1=O AT20058 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.19 N#C[C@H]1CCCCCC1=O AC9253 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,0,0,1,0,0|1,0,0]=2 23 B10R1.29 CNCCN1CCOC1=O AT18746 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.29 COCC[C@H]1CCNC1=O AT19072 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.29 N#CCC[C@H]1CCCC1=O AC8276 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.29 NCCCN1CCOC1=O AT18744 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.29 O=C1OCCN1CCCO AT18745 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT10667 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT11298 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.137 CCNC(=O)OC1CNC1 AT23015 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.138 CNCC(=O)NCC1CC1 70891 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.377 CCC[N+]1(C)CCCCC1 T73061 [0,0,0,1,0,0|3,0,0]=4 33 B7R0.1 COCCOCCN F50617 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.1 COCCOCCS AT10124 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.3 CCC(=O)OCOC D72002 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.3 CCCNC(=O)CN C78397 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.3 CNC(=O)OCCO AT13707 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.3 COC(=O)CCCN 32601 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.7 CCOC(=O)CCN F19878 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.7 CCSC(=O)OCI C77591 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.7 O=C(CCBr)CCBr 52047 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 CC(=O)NCCCN AR2174 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.4 CNCCNC(C)=O C77870 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.4 CCOCC(=O)OC(C)C 94622 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.18 CCCCC(C)CCCC T71863 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.34 CCCC(C)CC(C)CC T70352 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.47 CCCCOC(=O)C(O)O F17058 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [1,1,0,0,0,0|0,0,0]=2 53 B11R0.4 CCC\C=C\CCC(=O)OCC E70248 [0,2,0,0,0,0|2,0,0]=4 54 B11R0.4 CCOC(=O)COCCCCO AT19862 [0,2,0,0,0,0|1,0,0]=3 55 B11R0.176 CCOC(=O)CCCCN(C)C AC6409 [0,2,0,0,0,0|2,0,0]=4 56 B11R0.154 CCCCCC(=O)CC(=O)OC A11017 [0,2,0,0,0,0|1,0,1]=4 57 B11R0.165 CCCCCC(=O)OC(C)(C)C AC8549 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [1,0,0,1,0,0|1,0,0]=3 59 B9R1.8 CCC[C@H]1CCCCN1 F16887 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.15 CCC1CCCCC1C T72380 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.15 CCC1CCCCC1O D90497 [1,0,0,1,0,0|0,0,2]=4 63 B9R1.15 CCN1CCCNC1=O AT26678 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.33 COC[C@H]1CCNC1=O AT19084 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.48 CN1CCCNC(=O)C1 AT20054 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.73 CCOC(=O)C1CSC1 F18444 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.75 CNCC(=O)NC1CC1 F52060 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.1 CNC1CCC(=O)CC1 AB9600 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.1 O=C1CCC(CBr)CC1 C77512 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.11 CCC(=O)C1CCCC1 F53464 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.11 O=C(CBr)N1CCCC1 T71443 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.79 CNC(=O)OC1CNC1 AT23014 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.79 NCC(=O)NC1CCC1 98117 [1,0,0,1,0,0|2,0,0]=4 81 B11R1.16 CCCC(=O)C1CCNCC1 F16039 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.16 CCNC(=O)N1CCNCC1 AT22987 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.16 CCOC(=O)C1=CCCCO1 S11628 [0,1,0,1,0,0|1,0,1]=4 84 B11R1.16 CCOC(=O)[C@H]1CCCNC1 56329 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.16 COCC(=O)N1CCNCC1 P10687 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.24 CCCC[C@H]1CC(=O)CCN1 S11327 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14054 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14113 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.30 NCCC(=O)NC1CCCC1 F21050 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.180 CNCCCN1CCOC1=O AT18748 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 98153 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC7745 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C 72681 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.289 CCOC(=O)CCC1CCC1 F52482 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.290 CCOC(=O)CCNC1CC1 AC6776 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.34 CCCC1CC(=O)CC(=O)C1 F16230 [0,1,0,1,0,0|1,0,1]=4 97 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53810 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.15 CCOC(=O)C1CCC(F)C1 AC4965 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 C16215 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 Y10153 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.15 NCCC(=O)N1CC[C@H](O)C1 C77812 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.484 CC(C)NC(=O)OC1CNC1 AT23017 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.351 CCOC(=O)C(=O)CC1CC1 P11469 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.351 CCOC(=O)[C@@H](N)CC1CC1 F53735 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.819 CCOC(=O)C1(N)CCCC1 20671 [0,1,0,1,0,0|2,0,0]=4 106 B11R2.36 O=C1CCC2CCNC2C1 D72799 [0,0,0,2,0,0|2,0,0]=4 107 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 AT25021 [0,0,0,2,0,0|2,0,0]=4 108 B11R2.106 O=C1CCCN2CCC[C@@H]12 C15384 [0,0,0,2,0,0|2,0,0]=4 109 B11R2.106 O=C1CCNC2CCCC12 F14781 [0,0,0,2,0,0|2,0,0]=4 110 B11R2.106 O=C1CCNC2CCCC12 P10663 [0,0,0,2,0,0|2,0,0]=4 111 B11R2.106 O=C1CNC[C@@H]2CCCN12 90666 [0,0,0,2,0,0|2,0,0]=4 112 B11R2.106 O=C1CNC[C@@H]2CCCN12 F53864 [0,0,0,2,0,0|2,0,0]=4 113 B11R2.106 O=C1CNC[C@@H]2CCCN12 N13360 [0,0,0,2,0,0|2,0,0]=4 114 B11R2.106 O=C1OCCC2CCNC12 33376 [0,0,0,2,0,0|1,0,0]=3 115 B11R2.1478 O=C1CCNC2(CCC2)C1 F13787 [0,0,0,2,0,0|2,0,0]=4 116 B11R2.1 O=C1CC[C@H]2CNCCN12 F18941 [0,0,0,2,0,0|2,0,0]=4 117 B11R2.1 O=C1NCC2CNCCC12 P13958 [0,0,0,2,0,0|2,0,0]=4 118 B11R2.1 O=C1OC[C@H]2CCCCN12 D87354 [0,0,0,2,0,0|1,0,0]=3 119 B11R2.1 O=C1OC[C@H]2CNCCN12 W10095 [0,0,0,2,0,0|2,0,0]=4 120 B11R2.359 O=C1CC2CCC(CN1)N2 AT25155 [0,0,0,2,0,0|2,0,0]=4 121 B11R2.10 O=C1C[C@@H]2CCCC[C@@H]2N1 AT25973 [0,0,0,2,0,0|1,0,0]=3