0 B11R1.3 CC(C)C1=CC=C(CN)C=C1 ALBB-005374 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.3 CC(C)C1=CC=C(CN)C=C1 ALBB-005374 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 CCC1=CC=C(C(C)N)C=C1 ALBB-001471 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 CCC1=CC=C(C(C)N)C=C1 ALBB-001471 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 CN(C)C1=CC=C(CN)C=C1 ALBB-005372 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 COC1=CC=C(C(C)N)C=C1 ALBB-001478 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 ALBB-015033 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 ALBB-006114 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.3 CNC1=CC=C(OC)C=C1 ALBB-025697 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.3 COC1=CC=C(NN)C=C1 ALBB-016395 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.3 COC1=CC=C(NN)C=C1 ALBB-016395 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.3 CSC1=CC=C(CN)C=C1 ALBB-005369 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.3 N#CC1=CC=C(C=O)C=C1 ALBB-005986 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.3 N#CC1=CC=C(CBr)C=C1 ALBB-012220 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.3 N#CC1=CC=C(CN)C=C1 ALBB-035117 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.3 NCC1=CC=C(CO)C=C1 ALBB-014308 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.13 CC(N)C1=CC=C(Br)C=C1 ALBB-012237 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 CC(N)C1=CC=C(Br)C=C1 ALBB-012237 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 ALBB-002133 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 CC(N)C1=CC=C(F)C=C1 ALBB-002132 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.13 CC(O)C1=CC=C(Br)C=C1 ALBB-026428 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [1,0,0,0,0,0|1,0,1]=3 23 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 ALBB-020960 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 ALBB-026582 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 ALBB-023581 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 ALBB-035113 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.48 CC1=CC(N(C)C)=CC=C1C=O ALBB-005278 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.48 CN(C)C1=CC=C(C=O)C(Cl)=C1 ALBB-025770 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 ALBB-027089 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 ALBB-003042 [0,1,0,0,0,0|1,0,2]=4 31 B12R1.113 CC(C)C1=CC=C(N=S=O)C=C1 ALBB-026525 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 ALBB-001484 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 ALBB-001486 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 ALBB-035799 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 ALBB-005496 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 ALBB-000313 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.256 CC(O)C1=CC=C([N+](=O)[O-])C=C1 ALBB-023402 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 ALBB-006102 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.256 O=[N+]([O-])C1=CC=C(C(Br)Br)C=C1 ALBB-023337 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.31 CN(C)C1=CC=C(C=O)S1 ALBB-006949 [0,0,0,0,1,0|2,0,0]=3 41 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 ALBB-001396 [0,0,0,0,0,1|1,0,1]=3 42 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 ALBB-001159 [0,0,0,0,0,1|0,0,0]=1 43 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 ALBB-005373 [0,0,0,0,0,1|1,0,1]=3 44 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 ALBB-000217 [0,0,0,0,0,1|2,0,0]=3 45 B9R1.1 NCC1=CC=C(N)C=C1 ALBB-025554 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 NCC1=CC=C(O)C=C1 ALBB-004114 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.6 CC(N)C1=CC=CC=C1 ALBB-032928 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.6 CC(N)C1=CC=NC=C1 ALBB-000302 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 CC(N)C1=CN=CC=C1 ALBB-002136 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 CC(N)C1=NC=CC=C1 ALBB-002135 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.83 CCC1=CC=C(N=C=O)C=C1 ALBB-003028 [1,1,0,0,0,0|0,0,1]=3 52 B11R1.83 CCC1=CC=C(N=S=O)C=C1 ALBB-026538 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.83 CCC1=CC=C(N=[N+]=[N-])C=C1 ALBB-032806 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.83 CCNC1=CC=C(CC)C=C1 ALBB-024705 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.83 CCNC1=CC=C(CC)C=C1 ALBB-024705 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.83 CCOC1=CC=C(CN)C=C1 ALBB-005371 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.83 CCOC1=CC=C(CN)C=C1 ALBB-005371 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.83 CCOC1=CC=C(NN)C=C1 ALBB-005926 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.83 CNCC1=CC=C(OC)C=C1 ALBB-027042 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.83 COC1=CC=C(N=C=O)C=C1 ALBB-007514 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.83 COC1=CC=C(N=S=O)C=C1 ALBB-026522 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.83 COC1=CC=C(\C=N\O)C=C1 ALBB-023277 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.83 CSC1=CC=C(N=C=O)C=C1 ALBB-007567 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 ALBB-001470 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.22 CCC(N)C1=CC=C(C)C=C1 ALBB-001475 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 ALBB-002128 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.22 CCN(C)C1=CC=C(N)C=C1 ALBB-032294 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.22 CNC(C)C1=CC=C(F)C=C1 ALBB-004046 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.22 NCC(O)C1=CC=C(O)C=C1 ALBB-025791 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 ALBB-016128 [1,1,0,0,0,0|0,0,1]=3 71 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 ALBB-002124 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.166 CC1=CC=C(C(C)N)C(C)=C1 ALBB-001473 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 ALBB-000924 [0,1,0,0,1,0|1,0,0]=3 74 B13R1.5 CCC(=O)OC1=CC=C(C=O)C=C1 ALBB-001395 [0,1,0,0,0,1|1,0,1]=4 75 B13R1.585 C(F)(F)OC1=CC=C(C(=O)O)C=C1 ALBB-000308 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 ALBB-002868 [0,1,0,0,0,1|0,0,0]=2 77 B13R1.585 CC(=O)NC1=CC=C(C(=O)Cl)C=C1 ALBB-031005 [0,1,0,0,0,1|1,0,1]=4 78 B13R1.585 CC(C)OC1=CC=C(B(O)O)C=C1 ALBB-014608 [0,1,0,0,0,1|1,0,1]=4 79 B13R1.585 CC(C)OC1=CC=C(C(=O)Cl)C=C1 ALBB-011181 [0,1,0,0,0,1|0,0,0]=2 80 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 ALBB-000778 [0,1,0,0,0,1|0,0,0]=2 81 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 ALBB-015107 [0,1,0,0,0,1|1,0,0]=3 82 B13R1.39 COC(OC)C1=CC=C(C#N)C=C1 ALBB-031533 [0,2,0,0,0,0|1,0,1]=4 83 B13R1.39 COC1=CC=C(C(OC)OC)C=C1 ALBB-033139 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.187 CCS(=O)(=O)C1=CC=C(C=O)C=C1 ALBB-024754 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.187 CNS(=O)(=O)C1=CC=C(C=O)C=C1 ALBB-010785 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.537 CC(C)C1=CC=C(C(=O)NN)C=C1 ALBB-002478 [0,2,0,0,0,0|0,0,0]=2 87 B13R1.537 CCC(=O)C1=CC=C(C(C)C)C=C1 ALBB-002891 [0,2,0,0,0,0|0,0,0]=2 88 B13R1.537 CCC(C)C1=CC=C(B(O)O)C=C1 ALBB-011890 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.537 CCC(C)C1=CC=C(C(C)=O)C=C1 ALBB-002840 [0,2,0,0,0,0|0,0,0]=2 90 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 ALBB-001485 [0,2,0,0,0,0|1,0,1]=4 91 B13R1.537 CN(C)C1=CC=C(C(=O)NN)C=C1 ALBB-002513 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.537 CN(C)C1=CC=C(\C(N)=N\O)C=C1 ALBB-020743 [0,2,0,0,0,0|1,0,1]=4 93 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 ALBB-025611 [0,2,0,0,0,0|1,0,1]=4 94 B13R1.537 COC(=O)C1=CC=C(C(N)=O)C=C1 ALBB-025664 [0,2,0,0,0,0|1,0,1]=4 95 B13R1.537 COC(=O)C1=CC=C(N(C)C)C=C1 ALBB-023273 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.537 O=[N+]([O-])C1=CC=C(C(O)CO)C=C1 ALBB-024832 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.537 OC(CCl)C1=CC=C([N+](=O)[O-])C=C1 ALBB-035369 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.140 CCOC1=CC=C(C(C)(C)N)C=C1 ALBB-035112 [0,2,0,0,0,0|1,0,1]=4 99 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 ALBB-002896 [0,2,0,0,0,0|0,0,0]=2 100 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 ALBB-000978 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 ALBB-001496 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.338 CC(N)C1=CC=C(S(C)(=O)=O)C=C1 ALBB-027095 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.74 CC(C)C1=CC=C(OCCN)C=C1 ALBB-010425 [0,2,0,0,0,0|1,0,1]=4 104 B13R2.2130 CN1C=CC2=CC(C=O)=CC=C21 ALBB-004944 [0,1,0,1,0,0|1,0,1]=4 105 B13R2.428 O=[N+]([O-])C1=CC=C(C2CO2)C=C1 ALBB-035100 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.21 CCN1C=C(C=O)C=N1 ALBB-000102 [1,0,0,0,1,0|2,0,0]=4 107 B11R1.20 CC(C)NC1=CC=C(O)C=C1 ALBB-034567 [1,0,0,0,0,1|0,0,1]=3 108 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 ALBB-005493 [1,0,0,0,0,1|1,0,0]=3 109 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 ALBB-026956 [1,0,0,0,0,1|2,0,0]=4 110 B13R1.3 C=C(C)COC1=CC=C(C=O)C=C1 ALBB-031905 [0,0,0,0,0,2|0,0,2]=4 111 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 ALBB-001161 [0,0,0,0,0,2|0,0,0]=2