0 B11R2.1 CC1=NNC2=CC=CC=C21 ALBB-018700 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.1 CC1=NNC2=CC=CC=C21 ALBB-018700 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.1 CC1=NNC2=NC=CC=C12 ALBB-031559 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 CN1N=NC2=CC=CC=C21 ALBB-027917 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 NC1=NNC2=C1C=CC=C2 ALBB-028239 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.1 NC1=NOC2=CC=CC=C21 ALBB-006860 [0,0,0,0,0,0|1,0,0]=1 6 B11R2.1 NC1CCC2=C1C=CC=C2 ALBB-006191 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 O=C1NCC2=CC=CC=C12 ALBB-012842 [0,0,0,0,0,0|1,0,2]=3 8 B11R2.1 ON1N=NC2=C1N=CC=C2 ALBB-006385 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.1 ON1N=NC2=CC=CC=C21 ALBB-013485 [0,0,0,0,0,0|2,0,0]=2 10 B11R2.1 S=C1SSC2=C1C=CC=N2 ALBB-009291 [0,0,0,0,0,0|2,2,0]=4 11 B10R2.7 C1=CC2=NC=CN2C=C1 ALBB-022744 [1,0,0,0,0,0|3,0,0]=4 12 B10R2.7 C1=CC2=NC=CN2C=C1 ALBB-022744 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1 N#CC1=CNC2=CC=CC=C12 ALBB-014499 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.1 OCN1C=NC2=CC=CC=C21 ALBB-012969 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.1 OCN1N=NC2=CC=CC=C21 ALBB-035148 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.196 ON1N=NC2=C1C=CC=C2Cl ALBB-005636 [0,1,0,0,0,0|2,0,0]=3 17 B12R2.612 NC1=CC=C2C(=O)OCC2=C1 ALBB-025001 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.612 NC1=NNC2=C1C=CC(Br)=C2 ALBB-028238 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.2028 CN1N=C(N)C2=CC=CC=C21 ALBB-031715 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.15 COC(=N)C1=CC=CC=C1 ALBB-033150 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ALBB-014807 [0,0,1,0,0,0|1,0,0]=2 22 B10R1.15 N\C(=N/O)C1=CC=NC=C1 ALBB-014810 [0,0,1,0,0,0|2,0,0]=3 23 B10R1.15 N\C(=N/O)C1=CN=CC=C1 ALBB-014809 [0,0,1,0,0,0|2,0,0]=3 24 B10R1.15 N\C(=N/O)C1=NC=CC=C1 ALBB-014808 [0,0,1,0,0,0|2,0,0]=3 25 B10R1.15 N\C(=N/O)C1=NC=CC=N1 ALBB-014815 [0,0,1,0,0,0|3,0,0]=4 26 B10R1.15 N\C(=N/O)C1=NC=CN=C1 ALBB-014816 [0,0,1,0,0,0|3,0,0]=4 27 B10R1.15 OC(CBr)C1=CC=CC=C1 ALBB-030701 [0,0,1,0,0,0|2,0,1]=4 28 B10R1.17 BrCCOC1=CC=CC=C1 ALBB-031662 [0,0,1,0,0,0|2,0,1]=4 29 B10R1.17 C=CCNC1=CC=CC=C1 ALBB-032919 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.17 O=C=NCC1=CC=CC=C1 ALBB-007528 [0,0,1,0,0,0|1,0,2]=4 33 B10R1.20 COC1=C(NN)C=CC=C1 ALBB-005956 [0,0,1,0,0,0|3,0,0]=4 34 B10R1.20 N#CC1=C(C=O)C=CC=C1 ALBB-017978 [0,0,1,0,0,0|1,0,2]=4 35 B10R1.20 NCC1=C(CO)C=CC=C1 ALBB-032174 [0,0,1,0,0,0|1,0,2]=4 36 B10R1.61 CC(O)C1=CC=CC=C1N ALBB-026300 [0,0,1,0,0,0|2,0,1]=4 37 B10R1.61 CC1=CN=CC=C1C(=O)O ALBB-031683 [0,0,1,0,0,0|3,0,0]=4 38 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 ALBB-031172 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ALBB-008671 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.61 O=C(O)C1=C(S)N=CC=C1 ALBB-005999 [0,0,1,0,0,0|2,1,0]=4 41 B10R1.61 OB(O)C1=C(F)C=CC=C1 ALBB-006127 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.61 OB(O)C1=CC=CC=C1Cl ALBB-006098 [0,0,1,0,0,0|3,0,0]=4 43 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 ALBB-025860 [0,0,0,0,0,1|3,0,0]=4 44 B12R2.24 FC1=CC2=CC=CC=C2C=C1 ALBB-035360 [0,0,0,0,0,1|3,0,0]=4 45 B12R2.24 NC1=CC2=CC=CC=C2N=C1 ALBB-008921 [0,0,0,0,0,1|3,0,0]=4 46 B12R2.24 O=C1C=NC2=CC=CC=C2N1 ALBB-024162 [0,0,0,0,0,1|2,0,1]=4 47 B12R2.24 O=C1CNC2=CC=CC=C2N1 ALBB-006577 [0,0,0,0,0,1|2,0,1]=4 48 B12R2.24 O=C1COC2=CC=CC=C2N1 ALBB-020505 [0,0,0,0,0,1|1,0,1]=3 49 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 ALBB-021965 [0,0,0,0,0,1|2,0,0]=3 50 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 ALBB-021973 [0,0,0,0,0,1|3,0,0]=4 51 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 ALBB-023931 [0,0,0,0,0,1|2,0,0]=3 52 B12R2.1081 ClC1=NN=CC2=CC=CC=C21 ALBB-033921 [0,0,0,0,0,1|2,0,0]=3 53 B12R2.1081 NC1=NC=CC2=C1C=CC=C2 ALBB-021325 [0,0,0,0,0,1|2,0,0]=3 54 B12R2.1081 NC1=NC=NC2=CC=CC=C21 ALBB-005413 [0,0,0,0,0,1|2,0,0]=3 55 B12R2.1081 O=C1CCOC2=CC=CC=C12 ALBB-019685 [0,0,0,0,0,1|1,0,1]=3 56 B12R2.1081 O=C1CCSC2=C1C=CC=C2 ALBB-021273 [0,0,0,0,0,1|1,1,1]=4 57 B12R2.1081 O=C1NC=CC2=CC=CC=C12 ALBB-023588 [0,0,0,0,0,1|1,0,2]=4 58 B12R2.1081 O=C1NC=NC2=CC=CC=C12 ALBB-012761 [0,0,0,0,0,1|1,0,2]=4 59 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 ALBB-028398 [0,0,0,0,0,1|1,0,1]=3 60 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 ALBB-021972 [0,0,0,0,0,1|3,0,0]=4 61 B12R2.1081 OC1=CC=NC2=CC=CC=C12 ALBB-019954 [0,0,0,0,0,1|2,0,0]=3 62 B12R2.1081 OC1=CN=NC2=CC=CC=C12 ALBB-019489 [0,0,0,0,0,1|1,0,0]=2 63 B12R2.1081 SC1=NC=NC2=CC=CC=C21 ALBB-023577 [0,0,0,0,0,1|1,1,0]=3 64 B12R2.1081 SC1=NN=CC2=CC=CC=C21 ALBB-024229 [0,0,0,0,0,1|1,1,0]=3 65 B9R1.6 N=C(N)C1=CC=NC=C1 ALBB-031225 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.6 OB(O)C1=CC=CN=C1 ALBB-006011 [1,0,1,0,0,0|2,0,0]=4 67 B9R1.8 ON=CC1=CC=NC=C1 ALBB-019921 [1,0,1,0,0,0|1,0,0]=3 68 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 ALBB-014812 [0,1,1,0,0,0|1,0,0]=3 69 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 ALBB-014811 [0,1,1,0,0,0|1,0,0]=3 70 B11R1.22 N\C(=N\O)C1=CC=C(Cl)N=C1 ALBB-034077 [0,1,1,0,0,0|2,0,0]=4 71 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 ALBB-036263 [0,1,1,0,0,0|1,0,1]=4 72 B11R1.23 C\C(=N\O)C1=CC(Br)=CC=C1 ALBB-022895 [0,1,1,0,0,0|1,0,0]=3 73 B11R1.23 N=C(NO)C1=CC=CC(Cl)=C1 ALBB-030253 [0,1,1,0,0,0|1,0,1]=4 74 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 ALBB-014813 [0,1,1,0,0,0|1,0,0]=3 75 B11R1.1 C=CCOC1=CC=C(Br)C=C1 ALBB-026697 [0,1,1,0,0,0|2,0,0]=4 76 B11R1.1 C=CCOC1=CC=C(O)C=C1 ALBB-034494 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.17 OCCOC1=CC=CC=C1Cl ALBB-031252 [0,1,1,0,0,0|1,0,1]=4 78 B11R1.24 OCCOC1=CC=CC(Cl)=C1 ALBB-031251 [0,1,1,0,0,0|1,0,1]=4 79 B11R1.91 C=C(C)COC1=CC=CC=C1 ALBB-031904 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.91 NC(=S)COC1=CC=CC=C1 ALBB-034407 [0,1,1,0,0,0|1,1,0]=4 81 B11R1.91 O=C(O)C#CC1=CC=CC=C1 ALBB-000973 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.91 O=C(O)CNC1=CC=CC=C1 ALBB-000236 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.37 COC1=CC(O)=CC=C1C=O ALBB-006227 [0,1,1,0,0,0|1,0,1]=4 84 B11R1.37 COC1=CC=C(Cl)C=C1C=O ALBB-001263 [0,1,1,0,0,0|1,0,1]=4 85 B11R1.41 COC1=C(\C=N\O)C=CC=C1 ALBB-033909 [0,1,1,0,0,0|1,0,0]=3 86 B11R1.53 CSC1=CC=CC=C1C(=O)O ALBB-023339 [0,1,1,0,0,0|1,1,0]=4 87 B11R1.53 NNC1=CC=CC=C1C(=O)O ALBB-003949 [0,1,1,0,0,0|1,0,1]=4 88 B11R1.53 NNC1=CC=CC=C1C(=O)O ALBB-003949 [0,1,1,0,0,0|1,0,1]=4 89 B11R1.53 O=[IH2]C1=CC=CC=C1C(=O)O ALBB-030082 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl ALBB-025048 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.159 NC1=C(C(=O)O)C=CC=C1O ALBB-024973 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.166 O=C(Cl)C1=CC=C(Cl)C=C1O ALBB-032119 [0,1,1,0,0,0|1,0,1]=4 93 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 ALBB-017940 [0,1,1,0,0,0|1,0,1]=4 94 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 ALBB-006381 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 ALBB-006133 [0,1,1,0,0,0|2,0,0]=4 96 B11R1.167 O=C(O)C1=CC(I)=CN=C1O ALBB-034521 [0,1,1,0,0,0|2,0,0]=4 97 B11R2.36 BrC1=CC=C2NN=NC2=C1 ALBB-012866 [1,1,0,0,0,0|2,0,0]=4 98 B11R2.36 BrC1=CN=C2NN=CC2=C1 ALBB-032660 [1,1,0,0,0,0|2,0,0]=4 99 B11R2.36 CC1=CC2=C(C=C1)NC=C2 ALBB-033002 [1,1,0,0,0,0|2,0,0]=4 100 B11R2.36 CC1=CC2=C(C=CN2)C=C1 ALBB-005930 [1,1,0,0,0,0|2,0,0]=4 101 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 ALBB-006063 [1,1,0,0,0,0|2,0,0]=4 102 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 ALBB-006051 [1,1,0,0,0,0|2,0,0]=4 103 B11R2.36 NC1=CC=C2C=NNC2=C1 ALBB-036522 [1,1,0,0,0,0|1,0,0]=3 104 B11R2.106 CC1=CC=CC2=C1C=CN2 ALBB-006050 [1,1,0,0,0,0|2,0,0]=4 105 B11R2.106 ClC1=C2NC=CC2=CC=C1 ALBB-014230 [1,1,0,0,0,0|2,0,0]=4 106 B11R2.106 ClC1=CC=CC2=C1C=CN2 ALBB-006049 [1,1,0,0,0,0|2,0,0]=4 107 B11R2.106 NC1=C2C=CNC2=CC=C1 ALBB-032635 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 ALBB-025726 [0,1,0,0,0,1|2,0,0]=4 109 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 ALBB-011840 [0,1,0,0,0,1|2,0,0]=4 110 B13R2.155 O=C1COC2=CC=C(Cl)C=C2N1 ALBB-024368 [0,1,0,0,0,1|1,0,1]=4 111 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 ALBB-026701 [0,1,0,0,0,1|2,0,0]=4 112 B13R2.328 CC1=NC(S)=NC2=CC=CC=C21 ALBB-027421 [0,1,0,0,0,1|1,1,0]=4 113 B13R2.369 CC1OC2=CC=CC=C2NC1=O ALBB-024345 [0,1,0,0,0,1|1,0,1]=4 114 B13R2.369 NC1=CC2=CC=CC=C2C=C1O ALBB-014252 [0,1,0,0,0,1|2,0,0]=4 115 B13R2.369 O=C1NC2=CC=CC=C2OC1=O ALBB-016477 [0,1,0,0,0,1|1,0,1]=4 116 B13R2.3683 CC1=CC=C2NC(=O)COC2=C1 ALBB-023916 [0,1,0,0,0,1|1,0,1]=4 117 B13R2.371 CC1=NNC(=O)C2=CC=CC=C21 ALBB-024861 [0,1,0,0,0,1|1,0,1]=4 118 B13R2.371 O=C1NN=C(Cl)C2=CC=CC=C12 ALBB-026155 [0,1,0,0,0,1|1,0,1]=4 119 B13R2.1613 N#CC1=CN=CC2=CC=CC=C12 ALBB-023701 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 ALBB-025405 [0,1,0,0,0,1|2,0,0]=4 121 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 ALBB-025405 [0,1,0,0,0,1|2,0,0]=4 122 B13R2.1613 NNC1=NN=CC2=CC=CC=C21 ALBB-023848 [0,1,0,0,0,1|2,0,0]=4 123 B13R2.1613 O\N=C1/CCCC2=CC=CC=C21 ALBB-023890 [0,1,0,0,0,1|2,0,0]=4 124 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 ALBB-007628 [0,2,0,0,0,0|2,0,0]=4 125 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 ALBB-000361 [0,2,0,0,0,0|1,1,0]=4 126 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 ALBB-006238 [0,2,0,0,0,0|1,0,0]=3 127 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N/O ALBB-006595 [0,2,0,0,0,0|2,0,0]=4 128 B13R2.5180 CC1=C2OCC(=O)C2=CC=C1O ALBB-017580 [0,2,0,0,0,0|1,0,1]=4 129 B13R2.11642 CC1=C2C(=O)COC2=CC(O)=C1 ALBB-017579 [0,2,0,0,0,0|1,0,1]=4 130 B9R1.11 N\C(=N/O)C1=CC=CO1 ALBB-035322 [0,0,1,0,1,0|2,0,0]=4 131 B9R1.11 N\C(=N/O)C1=CC=CS1 ALBB-035273 [0,0,1,0,1,0|2,0,0]=4 132 B11R1.86 NC(=O)CC1=CC=CC=C1O ALBB-026230 [0,0,1,0,0,1|0,0,2]=4