0 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 ALBB-025035 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 ALBB-013807 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 ALBB-026370 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 ALBB-008101 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 ALBB-021283 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 ALBB-000098 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 ALBB-011840 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 ALBB-011846 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 ALBB-025860 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 FC1=CC2=CC=CC=C2C=C1 ALBB-035360 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.24 NC1=CC2=CC=CC=C2N=C1 ALBB-008921 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.24 NC1=CC=C2N=CC=CC2=C1 ALBB-014510 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.24 NC1=CC=C2N=CC=NC2=C1 ALBB-013497 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 O=C1C=NC2=CC=CC=C2N1 ALBB-024162 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 ALBB-021965 [1,0,0,0,0,0|1,0,0]=2 15 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 ALBB-021973 [1,0,0,0,0,0|1,0,0]=2 16 B14R2.112 CNCC1=CC2=CC=CC=C2N=C1 ALBB-011838 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.112 CNCC1=CC2=CC=CC=C2N=C1 ALBB-011838 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.112 CNCC1=CC=C2N=CC=CC2=C1 ALBB-011844 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.134 COC1=CC2=C(C=C1)N=CC(O)=C2 ALBB-027822 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 ALBB-025932 [0,1,0,0,0,0|0,0,0]=1 21 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 ALBB-014096 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.142 N#CC1=NC2=C(O)C=CC=C2C=C1 ALBB-027854 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.142 O=CC1=NC2=C(C=CC=C2O)C=C1 ALBB-021958 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.781 CC(N)C1=CC2=C(C=CC=C2)C=C1 ALBB-002138 [0,1,0,0,0,0|1,0,0]=2 25 B14R2.781 CC(O)C1=CC=C2N=CC=CC2=C1 ALBB-018086 [0,1,0,0,0,0|2,0,0]=3 26 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=N1 ALBB-005959 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 ALBB-011843 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.1128 O=CC1=C(Cl)N=C2C=CC=CC2=C1 ALBB-021232 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.1801 COC1=CC2=C(C=C1)C(O)=CC=N2 ALBB-021964 [0,1,0,0,0,0|1,0,0]=2 30 B14R2.2332 N#CC1=CC=C2C=C(O)C=CC2=C1 ALBB-026636 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O ALBB-036261 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 ALBB-033989 [0,0,1,0,0,0|2,0,0]=3 33 B12R2.1 N#CC1=CNC2=CC=CC=C12 ALBB-014499 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.32 CCC1=NC2=CC=CC=C2N1 ALBB-003847 [0,0,0,0,1,0|3,0,0]=4 35 B12R2.32 N#CC1=CC2=CC=CC=C2O1 ALBB-031765 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.44 COC1=CC2=C(C=C1)OCO2 ALBB-025073 [0,0,0,0,1,0|2,0,1]=4 37 B12R2.44 N#CC1=CC=C2C=CNC2=C1 ALBB-004804 [0,0,0,0,1,0|3,0,0]=4 38 B12R2.44 N#CC1=CC=C2NC=CC2=C1 ALBB-022905 [0,0,0,0,1,0|3,0,0]=4 39 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 ALBB-011876 [0,0,0,0,1,0|3,0,0]=4 40 B12R2.44 O=CC1=CC=C2C=CNC2=C1 ALBB-004799 [0,0,0,0,1,0|3,0,0]=4 41 B12R2.44 O=CC1=CC=C2NC=CC2=C1 ALBB-004800 [0,0,0,0,1,0|3,0,0]=4 42 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 ALBB-004776 [0,0,0,0,1,0|3,0,0]=4 43 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 ALBB-004775 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.91 C=C(C)COC1=CC=CC=C1 ALBB-031904 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 ALBB-014123 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 ALBB-007463 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.1 C=CCOC1=CC=C(O)C=C1 ALBB-034494 [1,0,1,0,0,0|1,0,1]=4 48 B11R1.83 COC1=CC=C(\C=N\O)C=C1 ALBB-023277 [1,0,1,0,0,0|2,0,0]=4 49 B13R1.14 COC(=O)\C=C/C1=CC=C(O)C=C1 ALBB-024594 [0,1,1,0,0,0|1,0,0]=3 50 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 ALBB-029437 [0,1,1,0,0,0|1,0,0]=3 51 B13R1.15 COC(=O)\C=C\C1=CC(N)=CC=C1 ALBB-032664 [0,1,1,0,0,0|1,0,0]=3 52 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 ALBB-032764 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 ALBB-032765 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 ALBB-011748 [0,1,1,0,0,0|1,0,0]=3 55 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 ALBB-011726 [0,1,1,0,0,0|1,0,0]=3 56 B13R2.32 CC1=CC=C2N=CC=CC2=C1Br ALBB-026378 [1,1,0,0,0,0|1,0,0]=3 57 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 ALBB-026425 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 ALBB-032305 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 ALBB-025726 [1,1,0,0,0,0|0,0,0]=2 60 B13R2.32 O=C1C(Br)=CSC2=CC=CC=C12 ALBB-034433 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 ALBB-023570 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.162 CC1=CC=C2C=CC=C(N)C2=N1 ALBB-027739 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.162 NC1=NC2=C(C=CC=C2O)C=C1 ALBB-021953 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 ALBB-021966 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.162 OC1=CC=CC2=C1N=C(Cl)C=C2 ALBB-021957 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 ALBB-031604 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 ALBB-026701 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 ALBB-019949 [1,1,0,0,0,0|1,0,0]=3 69 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 ALBB-019949 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 ALBB-019943 [1,1,0,0,0,0|1,0,0]=3 71 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 ALBB-006386 [1,1,0,0,0,0|1,0,1]=4 72 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl ALBB-023906 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.369 CC1=NC2=CC=CC=C2NC1=O ALBB-020076 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.369 NC1=CC2=CC=CC=C2C=C1O ALBB-014252 [1,1,0,0,0,0|0,0,0]=2 75 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 ALBB-025533 [1,1,0,0,0,0|1,0,0]=3 76 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 ALBB-023917 [1,1,0,0,0,0|1,0,1]=4 77 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 ALBB-013849 [1,1,0,0,0,0|0,0,0]=2 78 B13R2.5179 O=C1C=CNC2=CC(Cl)=CC=C12 ALBB-024683 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.5179 SC1=CC=NC2=CC(Cl)=CC=C12 ALBB-023883 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.1 NCCC1=CNC2=CC=CC=C12 ALBB-017957 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 ALBB-016823 [0,1,0,0,1,0|2,0,0]=4 82 B13R2.26 COCC1=NC2=CC=CC=C2N1 ALBB-028707 [0,1,0,0,1,0|2,0,0]=4 83 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 ALBB-006820 [0,1,0,0,1,0|1,0,0]=3 84 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 ALBB-017420 [0,1,0,0,1,0|2,0,0]=4 85 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 ALBB-022266 [0,1,0,0,1,0|2,0,0]=4 86 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 ALBB-004065 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.2121 COC1=CC=C2OC(S)=NC2=C1 ALBB-004126 [0,1,0,0,1,0|2,0,0]=4 88 B13R2.2121 COC1=CC=C2SC(C)=NC2=C1 ALBB-032714 [0,1,0,0,1,0|2,0,0]=4 89 B15R2.2115 COC1=C(C=O)C2=C(C=CC=C2)C=C1 ALBB-025712 [0,2,0,0,0,0|0,0,0]=2 90 B15R2.352 NCCOC1=CC2=CC=CC=C2C=C1 ALBB-025151 [0,2,0,0,0,0|0,0,0]=2 91 B15R2.1601 COC(=O)C1=CC2=C(C=C1)N=CC=C2 ALBB-006408 [0,2,0,0,0,0|1,0,0]=3 92 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 ALBB-024826 [0,2,0,0,0,0|1,0,0]=3 93 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 ALBB-001063 [0,2,0,0,0,0|2,0,0]=4 94 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 ALBB-006271 [0,2,0,0,0,0|1,0,1]=4 95 B15R2.21336 COC1=CC=C2NC(=O)C(=O)NC2=C1 ALBB-024630 [0,2,0,0,0,0|2,0,0]=4 96 B15R2.89396 COC1=CC=C2C(C)=CC(=O)OC2=C1 ALBB-023165 [0,2,0,0,0,0|1,0,0]=3 97 B15R2.21329 CCC1=CC=C2N=C(Cl)C=C(C)C2=C1 ALBB-025409 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.21329 CCC1=CC=C2NC(=O)C=C(C)C2=C1 ALBB-026210 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.7180 O=C(O)C1=CC=C2C=C(O)C=CC2=C1 ALBB-028467 [0,2,0,0,0,0|2,0,0]=4 100 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 ALBB-023369 [0,2,0,0,0,0|1,0,0]=3 101 B15R2.89401 COC1=CC=C2C(=C1)C=CC(=O)N2C ALBB-035738 [0,2,0,0,0,0|1,0,0]=3 102 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 ALBB-006059 [0,0,1,1,0,0|2,0,0]=4 103 B11R2.1 CC1=NNC2=CC=CC=C21 ALBB-018700 [1,0,0,0,1,0|2,0,0]=4 104 B11R2.1 CC1=NNC2=CC=CC=C21 ALBB-018700 [1,0,0,0,1,0|2,0,0]=4 105 B11R2.36 CC1=CC2=C(C=C1)NC=C2 ALBB-033002 [1,0,0,0,1,0|1,0,0]=3 106 B11R2.36 CC1=CC2=C(C=CN2)C=C1 ALBB-005930 [1,0,0,0,1,0|1,0,0]=3 107 B11R2.36 CC1=CC=C2NC=NC2=C1 ALBB-028791 [1,0,0,0,1,0|2,0,0]=4 108 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 ALBB-006063 [1,0,0,0,1,0|2,0,0]=4 109 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 ALBB-006051 [1,0,0,0,1,0|2,0,0]=4