0 B6R0.6 CCCSCCN ALBB-013368 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 CCOCCNC ALBB-019162 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 CCSCCNC ALBB-013382 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 COCCN=C=O ALBB-004766 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 CCC#CCO ALBB-031790 [1,0,0,0,0,0|0,0,2]=3 5 B5R0.2 COCCNN ALBB-026577 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.2 COCCNN ALBB-026577 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.2 N#CCCCN ALBB-027963 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 N#CCCCO ALBB-032447 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.2 NNCCCO ALBB-027247 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.1 C=CCCNCCO ALBB-033585 [0,1,0,0,0,0|0,0,2]=3 11 B7R0.3 CCCOC(C)CN ALBB-012971 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.3 CCN(C)CCCN ALBB-014682 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.3 CCN(C)CCCO ALBB-004106 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.4 C=CCCNC(C)C ALBB-032054 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.4 CC(C)NCCCO ALBB-012227 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.4 CC(C)SCCCN ALBB-021089 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.4 CC(O)CNCCO ALBB-018623 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.4 CCCNCC(=O)O ALBB-034573 [0,1,0,0,0,0|1,0,1]=3 19 B7R0.4 CCSCCC(=O)O ALBB-004315 [0,1,0,0,0,0|1,0,1]=3 20 B7R0.7 CCNC(C)CCO ALBB-004115 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.7 CN(CCN)CCO ALBB-028781 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.1 CCC1CCCN1 ALBB-014922 [0,0,0,1,0,0|1,0,0]=2 23 B7R1.1 CCC1CCCN1 ALBB-014922 [0,0,0,1,0,0|1,0,0]=2 24 B7R1.1 OCC1CCCN1 ALBB-021094 [0,0,0,1,0,0|1,0,0]=2 25 B7R1.1 OCC1CCNC1 ALBB-005836 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.3 BrC1CCCOC1 ALBB-005315 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.3 BrC1CCSCC1 ALBB-022852 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.3 CC1=CCNCC1 ALBB-018638 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 CC1CNCCO1 ALBB-018624 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.3 NC1CCCOC1 ALBB-005268 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.3 NC1CCNCC1 ALBB-027340 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.3 NN1CCSCC1 ALBB-026990 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.3 OC1CCOCC1 ALBB-016822 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.4 NC1CCCC1=O ALBB-030356 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.6 CNCC1CCC1 ALBB-016146 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.6 N#CCC1CCC1 ALBB-023585 [0,0,0,1,0,0|1,0,1]=3 37 B7R1.6 NNCC1CCC1 ALBB-028806 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.7 CCNCC1CC1 ALBB-010772 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.24 C1CNCCOC1 ALBB-008642 [0,0,0,1,0,0|1,0,0]=2 40 B4R0.2 CCCNN ALBB-029755 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.2 CNCCCl ALBB-023508 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 CCCC(O)CN ALBB-031019 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.1 CCNC(C)CO ALBB-004074 [1,1,0,0,0,0|1,0,0]=3 44 B6R0.1 CCOC(=N)CC ALBB-022391 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.1 CCOC(C)CN ALBB-019159 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.1 CCOC(C)CN ALBB-019159 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.1 CNC(C)CCO ALBB-004088 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.1 CNCC(C)CO ALBB-033765 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.1 CNCC(C)OC ALBB-009408 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.1 COC(=O)CCO ALBB-013447 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.1 COC(C)CCN ALBB-022248 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.1 COCC(O)CN ALBB-012236 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.4 CC(C)SCCN ALBB-011948 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.4 CCNCC(C)O ALBB-017752 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.4 CNCCC(=O)O ALBB-013461 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.4 COCCC(C)=O ALBB-027646 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 COCCC(C)O ALBB-036368 [1,1,0,0,0,0|1,0,0]=3 58 B8R0.4 C=CCCNCCCO ALBB-033609 [0,2,0,0,0,0|0,0,1]=3 59 B8R0.4 C=CCCNCCOC ALBB-027310 [0,2,0,0,0,0|0,0,2]=4 60 B8R0.7 C=CCCNCC(C)C ALBB-033608 [0,2,0,0,0,0|1,0,1]=4 61 B8R0.9 CC(C)OCC(O)CN ALBB-031202 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.9 CCC(=O)CCC(=O)O ALBB-025658 [0,2,0,0,0,0|0,0,2]=4 63 B8R0.9 CCN(C)CCC(=O)O ALBB-004150 [0,2,0,0,0,0|1,0,1]=4 64 B8R0.9 CCN(C)CCC(=O)O ALBB-004150 [0,2,0,0,0,0|1,0,1]=4 65 B8R0.21 CCCNCC(C)(C)O ALBB-029023 [0,2,0,0,0,0|1,0,0]=3 66 B6R1.1 C1CCONC1 ALBB-010164 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.2 NC1CCOC1 ALBB-010786 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.2 NC1CCOC1 ALBB-010786 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.2 OC1CNOC1 ALBB-016824 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.3 CCNC1CC1 ALBB-005301 [1,0,0,1,0,0|1,0,0]=3 71 B6R1.3 CNCC1CC1 ALBB-016294 [1,0,0,1,0,0|1,0,0]=3 72 B6R1.3 NNCC1CC1 ALBB-028807 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.2 BrCC1CCCNC1 ALBB-005308 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.2 CCC1CCNCC1 ALBB-016700 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.2 CCC1CNCCO1 ALBB-011803 [0,1,0,1,0,0|0,0,0]=2 76 B8R1.2 CNC1CCOCC1 ALBB-000085 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.2 CNC1CCSCC1 ALBB-012271 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.2 COC1CCCNC1 ALBB-004177 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.2 COC1CCCNC1 ALBB-004177 [0,1,0,1,0,0|1,0,0]=3 80 B8R1.2 ClCC1COCCO1 ALBB-005877 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.2 NCC1=CCCCC1 ALBB-028823 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.2 NCC1CCCCO1 ALBB-024717 [0,1,0,1,0,0|0,0,0]=2 83 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,1,0,1,0,0|1,0,0]=3 85 B8R1.2 NCC1CNCCO1 ALBB-027338 [0,1,0,1,0,0|1,0,0]=3 86 B8R1.2 NCC1COCCO1 ALBB-000042 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.2 NNC1CCNCC1 ALBB-014983 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.2 OCC1CCCOC1 ALBB-005328 [0,1,0,1,0,0|0,0,0]=2 89 B8R1.2 OCC1COCCO1 ALBB-021709 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.5 CC1CCCNC1C ALBB-026115 [0,1,0,1,0,0|1,0,0]=3 91 B8R1.5 CC1CCCNC1C ALBB-026115 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.5 C[C@H]1CNCC[C@@H]1O ALBB-030117 [0,1,0,1,0,0|0,0,0]=2 93 B8R1.5 NC1CCCCC1=O ALBB-031058 [0,1,0,1,0,0|0,0,2]=4 94 B8R1.5 O[C@H]1CNCC[C@H]1O ALBB-030034 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.8 CNCC1CCCC1 ALBB-016143 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.8 NCCC1CCCC1 ALBB-013284 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.8 OCCN1CCC=N1 ALBB-014269 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.11 CN1CCCC1CBr ALBB-016553 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.11 CN1CCCC1CCl ALBB-029048 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.11 CN1CCCC1CO ALBB-016476 [0,1,0,1,0,0|0,0,0]=2 101 B8R1.11 CO[C@@H]1COC[C@H]1N ALBB-029787 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.22 CC1CCCCCN1 ALBB-016557 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.22 CC1CCCNCC1 ALBB-013456 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.22 CC1CNCCCO1 ALBB-026617 [0,1,0,1,0,0|0,0,0]=2 105 B8R1.1 CN1CCC(CBr)C1 ALBB-017795 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.1 CN1CCC(CCl)C1 ALBB-017756 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.1 CN1CCC(CCl)C1 ALBB-017756 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.1 CN1CCC(CO)C1 ALBB-013303 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.1 CN1CCC(CO)C1 ALBB-013303 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.1 O=C1CCC(CBr)O1 ALBB-027787 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.1 O=C1CCC(CCl)O1 ALBB-014758 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.41 CCOCC1(N)CC1 ALBB-027799 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.52 CC1(C#N)CCCO1 ALBB-005312 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.52 CC1(CN)OCCO1 ALBB-031805 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.52 N#CC1(N)CCCC1 ALBB-022762 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.52 N#CC1(O)CCCC1 ALBB-032344 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.4 CC1CCCC(=O)N1 ALBB-028844 [0,1,0,1,0,0|0,0,2]=4 118 B8R1.4 CN1CCCC(N)C1 ALBB-005321 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.4 CN1CCCC(N)C1 ALBB-005321 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.7 CC(=O)C1CCCC1 ALBB-012222 [0,1,0,1,0,0|0,0,2]=4 121 B8R1.7 O=C(Cl)C1CCCO1 ALBB-034786 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.19 CC1(C)OCCC1N ALBB-030739 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.27 FC1(F)CC1CCBr ALBB-028870 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.27 OCCC1CC1(F)F ALBB-028869 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.34 O=C(O)CC1CCC1 ALBB-010277 [0,1,0,1,0,0|0,0,1]=3 126 B8R1.72 CC1(C)CCCNC1 ALBB-005215 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.72 CC1(C)CCCNC1 ALBB-005215 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.72 CC1(C)CNCCO1 ALBB-011804 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.72 CC1(N)CCCCC1 ALBB-027110 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.66 COCC1(N)CCC1 ALBB-021475 [0,1,0,1,0,0|2,0,0]=4 131 B8R2.55 C1CC2(CC2)CN1 ALBB-030533 [0,0,0,2,0,0|2,0,0]=4