0 B7R0.1 C=CCCNCCO ALBB-033585 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 CCCSCCN ALBB-013368 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.6 CCOCCNC ALBB-019162 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.6 CCSCCNC ALBB-013382 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.6 COCCN=C=O ALBB-004766 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.4 C=CCCNCCC=C ALBB-032055 [0,1,0,0,0,0|1,0,2]=4 6 B8R0.4 C=CCCNCCCO ALBB-033609 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.4 C=CCCNCCOC ALBB-027310 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.7 C=CCCNCC(=O)O ALBB-033604 [0,1,0,0,0,0|1,0,2]=4 9 B8R0.7 C=CCCNCC(C)C ALBB-033608 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 BrCC1CCCNC1 ALBB-005308 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.2 CCC1CCNCC1 ALBB-016700 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.2 CCC1CNCCO1 ALBB-011803 [0,0,0,1,0,0|1,0,2]=4 13 B8R1.2 CNC1CCOCC1 ALBB-000085 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 CNC1CCSCC1 ALBB-012271 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 COC1CCCNC1 ALBB-004177 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 COC1CCCNC1 ALBB-004177 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 NCC1CCCCO1 ALBB-024717 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 NNC1CCNCC1 ALBB-014983 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 OCC1CCCOC1 ALBB-005328 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.5 CC1CCCNC1C ALBB-026115 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.5 CC1CCCNC1C ALBB-026115 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.5 CN1CCNCC1=O ALBB-010140 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.5 CN1CCNCC1=O ALBB-010140 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.5 C[C@H]1CNCC[C@@H]1O ALBB-030117 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.5 NC1CCCCC1=O ALBB-031058 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.8 CNCC1CCCC1 ALBB-016143 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.8 NCCC1CCCC1 ALBB-013284 [0,0,0,1,0,0|1,0,1]=3 30 B8R1.8 OCCN1CCC=N1 ALBB-014269 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.11 CN1CCCC1CBr ALBB-016553 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.11 CN1CCCC1CCl ALBB-029048 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.11 CN1CCCC1CO ALBB-016476 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.22 CC1CCCCCN1 ALBB-016557 [0,0,0,1,0,0|1,0,1]=3 35 B8R1.22 CC1CCCNCC1 ALBB-013456 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.22 CC1CNCCCO1 ALBB-026617 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.22 O=C1CCSCCN1 ALBB-022853 [0,0,0,1,0,0|2,0,0]=3 38 B7R0.3 CCCOC(C)CN ALBB-012971 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.3 CCN(C)CCCN ALBB-014682 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.3 CCN(C)CCCO ALBB-004106 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.4 C=CCCNC(C)C ALBB-032054 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.4 CC(C)NCCCO ALBB-012227 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.4 CC(C)SCCCN ALBB-021089 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.4 CC(O)CNCCO ALBB-018623 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.4 CCCNCC(=O)O ALBB-034573 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.4 CCSCCC(=O)O ALBB-004315 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.7 CCNC(C)CCO ALBB-004115 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.4 COCCN(C)CC(=O)O ALBB-005660 [0,2,0,0,0,0|2,0,0]=4 49 B9R0.2 C=CCCNCCN(C)C ALBB-033603 [0,2,0,0,0,0|2,0,0]=4 50 B9R0.45 C=CCCNCCCCO ALBB-033583 [0,2,0,0,0,0|1,0,0]=3 51 B7R1.1 CCC1CCCN1 ALBB-014922 [1,0,0,1,0,0|1,0,0]=3 52 B7R1.1 CCC1CCCN1 ALBB-014922 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.1 OCC1CCCN1 ALBB-021094 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.1 OCC1CCNC1 ALBB-005836 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.3 BrC1CCCOC1 ALBB-005315 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 BrC1CCSCC1 ALBB-022852 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.3 CC1=CCNCC1 ALBB-018638 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.3 CC1CNCCO1 ALBB-018624 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.3 NC1CCCOC1 ALBB-005268 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.3 NC1CCNCC1 ALBB-027340 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.3 OC1CCOCC1 ALBB-016822 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.4 NC1CCCC1=O ALBB-030356 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.6 CNCC1CCC1 ALBB-016146 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.6 N#CCC1CCC1 ALBB-023585 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.6 NNCC1CCC1 ALBB-028806 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.7 CCNCC1CC1 ALBB-010772 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.24 C1CNCCOC1 ALBB-008642 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.7 CCCC1CNC(=O)C1 ALBB-013328 [0,1,0,1,0,0|1,0,0]=3 69 B9R1.8 CNCC1CCCCO1 ALBB-012353 [0,1,0,1,0,0|0,0,2]=4 70 B9R1.8 CNCC1CCNCC1 ALBB-013231 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.8 COCC1CCCNC1 ALBB-011792 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.8 COCC1CCCNC1 ALBB-011792 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.8 COCC1CCNCC1 ALBB-013234 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.8 CSCC1CCCNC1 ALBB-016758 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.8 CSCC1CCNCC1 ALBB-016272 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.8 ClCCC1CCCCN1 ALBB-033810 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.8 N#CCC1CCCCN1 ALBB-026521 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.8 N#CCC1CCCOC1 ALBB-008688 [0,1,0,1,0,0|1,0,1]=4 79 B9R1.8 NCCC1CCCCO1 ALBB-025512 [0,1,0,1,0,0|0,0,2]=4 80 B9R1.8 NCCC1CCCNC1 ALBB-012776 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.8 NCCC1CCCOC1 ALBB-010762 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.8 NCCN1CCCCC1 ALBB-021056 [0,1,0,1,0,0|1,0,1]=4 83 B9R1.8 OCCC1CCCCO1 ALBB-028765 [0,1,0,1,0,0|0,0,2]=4 84 B9R1.12 NCCSC1CCCC1 ALBB-027079 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.12 O=C=NCC1CCCO1 ALBB-003057 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.12 OCCCN1CCCC1 ALBB-022007 [0,1,0,1,0,0|0,0,2]=4 87 B9R1.15 CN1CCCCC1CBr ALBB-017796 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.15 CN1CCCCC1CCl ALBB-010766 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.15 CN1CCCCC1CN ALBB-005236 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.33 CNCC1CCCN1C ALBB-034817 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.33 O=C1CCCN1CCBr ALBB-012429 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.48 CC1CCCCC(=O)N1 ALBB-027128 [0,1,0,1,0,0|0,0,0]=2 93 B9R1.49 CC1CCNC(=O)CC1 ALBB-031566 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.49 CN1CCNC(=O)CC1 ALBB-022245 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.69 CN1CC(N)CCC1=O ALBB-021477 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.134 NCCC1(O)CCCC1 ALBB-011802 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.14 CCN1CCCC1CBr ALBB-014338 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.14 CCN1CCCC1CCl ALBB-029049 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.89 CCC1CCCNCC1 ALBB-016472 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.1 CO[C@H]1CC[C@H](N)CC1 ALBB-026665 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.3 CC1CCCC(C)N1N ALBB-028453 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.118 NC1(CO)CCCCC1 ALBB-011536 [0,1,0,1,0,0|0,0,2]=4 103 B9R1.6 CC(N)C1CCCCN1 ALBB-008640 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.6 NC(=O)C1CCOCC1 ALBB-014776 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.6 NC(=O)C1CNCCO1 ALBB-031192 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.6 O=C(O)C1CCCOC1 ALBB-018072 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.6 O=C(O)C1COCCO1 ALBB-016825 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.13 O=C(O)CC1CCCO1 ALBB-014184 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.40 CC1(C)NCCNC1=O ALBB-007372 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.84 O=C(O)CCC1CCC1 ALBB-018053 [0,1,0,1,0,0|0,0,0]=2 111 B9R1.148 CC1(N)CCCCCC1 ALBB-027111 [0,1,0,1,0,0|1,0,1]=4