0 B7R0.1 CCCCCCNN ALBB-033427 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 CCCCSCCN ALBB-025732 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 CCCCSCCN ALBB-025732 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 CCNCCNCC ALBB-026140 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 CCNCCNCC ALBB-026140 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 COCCCN=C=O ALBB-003055 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 CCCCCNC ALBB-022351 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.6 CCCCCNN ALBB-003897 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.6 FCCCCCBr ALBB-022599 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 NCCOCCN ALBB-031689 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.6 O=C=NCCCCl ALBB-021380 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCCCN(C)CCN ALBB-021048 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.1 CCOC(=O)CNC=O ALBB-028027 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.4 CCCCCCCNN ALBB-033423 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.4 CCOCCCN=C=O ALBB-003056 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.6 CCCCCC(=O)NN ALBB-001047 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.7 CCCCCCC(C)I ALBB-036478 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.7 CCCCCSC(=N)N ALBB-031730 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.7 CCCCNCC(=O)O ALBB-034572 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.7 CN(C)CCCCC#N ALBB-025303 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.7 CN(C)CCCCCN ALBB-025423 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.7 COCCOCC(=O)O ALBB-025890 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.7 NC(=O)CCCCCO ALBB-031677 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.7 NCCCCCC(=O)O ALBB-022460 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.2 COC1CCNCC1 ALBB-004178 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.2 COC1CCNCC1 ALBB-004178 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.2 N#CC1CCCCC1 ALBB-031644 [0,0,0,1,0,0|1,0,1]=3 27 B8R1.2 N#CC1CCOCC1 ALBB-005332 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 NCC1CCOCC1 ALBB-005330 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 NCC1CCOCC1 ALBB-005330 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.2 OCC1CCNCC1 ALBB-030464 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.2 ON=C1CCCCC1 ALBB-017760 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.5 CC1CNCCC1=O ALBB-030108 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.5 CC1SCCNC1=O ALBB-022396 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.5 CN1CCCNC1=O ALBB-012830 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.5 NC1CCCNC1=O ALBB-003929 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.5 NC1CCCNC1=O ALBB-003929 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.8 CCCC1CCNC1 ALBB-013350 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.8 ClCCN1CCCC1 ALBB-031096 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.8 N#CCN1CCCC1 ALBB-004594 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.8 NCCN1CCCC1 ALBB-006258 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.8 NCCN1CCCC1 ALBB-006258 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.8 O=C=NC1CCCC1 ALBB-000318 [0,0,0,1,0,0|1,0,1]=3 43 B8R1.11 CCC1CCCC1=O ALBB-014713 [0,0,0,1,0,0|0,0,0]=1 44 B8R1.22 CN1CCCNCC1 ALBB-022359 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.22 O=C1CCOCCN1 ALBB-033952 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.36 CCCNCC1CC1 ALBB-022350 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.49 C1CCCNCCC1 ALBB-022355 [0,0,0,1,0,0|1,0,1]=3 48 B5R0.2 CCCN=C=O ALBB-007538 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.2 CCOCCN ALBB-024937 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.2 CCSCCN ALBB-011952 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.2 CNCCOC ALBB-022357 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.2 COCCCBr ALBB-030141 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.3 CC(CO)CCCO ALBB-032482 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.3 CCCNC(C)CC ALBB-022353 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.3 CCNCC(O)CC ALBB-026226 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.4 CC(=O)CCCCCl ALBB-025821 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.4 CC(=O)NCCCCl ALBB-032280 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.4 CC(=O)NCCCO ALBB-012330 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.4 CC(C)CCN=C=O ALBB-007544 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.4 CC(C)NCCCN ALBB-006283 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.4 CCCCNC(C)C ALBB-012226 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.4 CCCNCC(C)O ALBB-029019 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.4 CCCOCC(=O)O ALBB-014631 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.4 CCCSCC(=O)O ALBB-004309 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.4 CCOCCC(=O)Cl ALBB-028804 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.4 CCOCCC(=O)O ALBB-022360 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.4 NC(=O)CSCCO ALBB-011953 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.7 CCCC(N)CCC ALBB-024910 [1,1,0,0,0,0|0,0,1]=3 71 B9R0.4 CCCCC(N)CC(=O)O ALBB-007474 [0,2,0,0,0,0|0,0,0]=2 72 B9R0.18 CCCCN(C)CCCN ALBB-007150 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.48 CCNC(=O)CCC(=O)O ALBB-033313 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.2 NCCCCCCC(=O)O ALBB-028464 [0,2,0,0,0,0|0,0,0]=2 75 B9R0.46 CCCCCCC(=O)NN ALBB-001048 [0,2,0,0,0,0|0,0,0]=2 76 B9R0.46 NNC(=O)CCCCCO ALBB-025588 [0,2,0,0,0,0|1,0,0]=3 77 B9R0.1 CCC(=O)NCCC(=O)O ALBB-033268 [0,2,0,0,0,0|1,0,1]=4 78 B9R0.1 CNC(=O)CCCC(=O)O ALBB-033202 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.55 CC(=O)NCCCC(=O)O ALBB-036270 [0,2,0,0,0,0|1,0,1]=4 80 B7R1.1 CNC1CCCC1 ALBB-013221 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.1 CNC1CCCC1 ALBB-013221 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.3 O=C1CCOCC1 ALBB-008898 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.3 O=C1CCSCC1 ALBB-006274 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.3 O=C1CNCCN1 ALBB-012180 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 O=C1CNCCN1 ALBB-012180 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.3 OC1CCSCC1 ALBB-011931 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.8 BrCCC1CCCCN1 ALBB-012425 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.8 C=CCN1CCNCC1 ALBB-000369 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.8 CCCC1CCCCN1 ALBB-011873 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.8 CNCC1CCCCC1 ALBB-032823 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.8 N#CCN1CCCCC1 ALBB-004596 [0,1,0,1,0,0|1,0,1]=4 92 B9R1.8 NCCC1CCCCC1 ALBB-016002 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.8 OCCC1CCCCN1 ALBB-021326 [0,1,0,1,0,0|0,0,2]=4 94 B9R1.12 ClCCCN1CCCC1 ALBB-007086 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.12 N#CCCN1CCCC1 ALBB-004595 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.12 NCCCN1CCCC1 ALBB-005361 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.12 NCCCN1CCCC1 ALBB-005361 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.15 CC1CCCC\C1=N\O ALBB-016145 [0,1,0,1,0,0|0,0,1]=3 99 B9R1.15 CN1CCCCC1CO ALBB-021942 [0,1,0,1,0,0|0,0,2]=4 100 B9R1.15 CN[C@@H]1CCCC[C@H]1O ALBB-027109 [0,1,0,1,0,0|0,0,2]=4 101 B9R1.15 O=CC1CCCCC1=O ALBB-017842 [0,1,0,1,0,0|0,0,1]=3 102 B9R1.33 CN1CCCC1CCO ALBB-021943 [0,1,0,1,0,0|0,0,2]=4 103 B9R1.33 NCCN1CCCC1=O ALBB-022314 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.33 O=C1CCCN1CCO ALBB-014609 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.69 CC1CNC(=O)N(C)C1 ALBB-014858 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.5 NC1CCCCNC1=O ALBB-022356 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.5 O=C1NCCCCC1Br ALBB-030091 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.14 CCN1CCCC1CN ALBB-006027 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.14 CCN1CCCC1CO ALBB-014436 [0,1,0,1,0,0|0,0,2]=4 110 B9R1.89 O=CN1CCCNCC1 ALBB-005771 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.1 CCC1CCC(N)CC1 ALBB-001498 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.118 N#CC1(N)CCCCC1 ALBB-022807 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.118 N#CC1(O)CCCCC1 ALBB-032350 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.6 NC(=O)C1CCCCN1 ALBB-024661 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.6 NC(=O)C1CCCNC1 ALBB-026453 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.6 NC(=O)C1CCCOC1 ALBB-005334 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.6 NC(=O)C1CCNCC1 ALBB-025738 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.6 O=C(O)C1CCNCC1 ALBB-035134 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.6 O=C(O)C1CCSCN1 ALBB-027246 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.6 O=C(O)C1COCCN1 ALBB-034101 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.6 O=C(O)C1SCCCS1 ALBB-026580 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.13 CC(C)CC1CCNC1 ALBB-013351 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.13 O=C(Cl)CC1CCCC1 ALBB-022363 [0,1,0,1,0,0|0,0,0]=2 124 B9R1.13 O=C(O)CN1CCCC1 ALBB-000108 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.13 O=C(O)CN1CCCC1 ALBB-000108 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.40 CC1(C)SCCNC1=O ALBB-022601 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.41 CN1CCCC1C(=O)O ALBB-016470 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.41 CN1CSCC1C(=O)O ALBB-016158 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.85 O=C(O)CSCC1CC1 ALBB-004308 [0,1,0,1,0,0|1,0,0]=3