0 B9R1.6 CC(N)C1=CC=CC=C1 ALBB-032928 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 CC(N)C1=CC=NC=C1 ALBB-000302 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(N)C1=CN=CC=C1 ALBB-002136 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.6 CC(N)C1=NC=CC=C1 ALBB-002135 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 N=C(N)C1=CC=NC=C1 ALBB-031225 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 N=C(N)C1=CN=CC=N1 ALBB-006156 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 NC(=S)C1=CC=NC=C1 ALBB-014817 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.6 NC(=S)C1=CN=CC=C1 ALBB-014818 [0,0,0,0,0,0|0,1,0]=1 8 B9R1.6 NC(=S)C1=NC=CC=N1 ALBB-016442 [0,0,0,0,0,0|3,1,0]=4 9 B9R1.6 NC(=S)C1=NC=CN=C1 ALBB-014819 [0,0,0,0,0,0|1,1,0]=2 10 B9R1.6 OB(O)C1=CC=CN=C1 ALBB-006011 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.2 ClCC1=CN=CC=C1 ALBB-005975 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.2 NNC1=CC=CN=C1 ALBB-013724 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.2 NNC1=CC=NC=C1 ALBB-013879 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.2 OCC1=NC=CN=C1 ALBB-022758 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.2 OCC1=NC=CN=C1 ALBB-022758 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.13 CC(N)C1=CC=C(Br)C=C1 ALBB-012237 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(N)C1=CC=C(Br)C=C1 ALBB-012237 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 ALBB-002133 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.13 CC(N)C1=CC=C(F)C=C1 ALBB-002132 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.13 CC1=CC=C(C(=O)O)C=N1 ALBB-016354 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 ALBB-026935 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ALBB-006572 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ALBB-006572 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ALBB-023898 [0,1,0,0,0,0|0,0,0]=1 27 B10R1.13 NC1=NC=C(C(=O)O)C=C1 ALBB-005967 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 ALBB-012419 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.13 O=C1C=CC(C(=O)O)=CO1 ALBB-033465 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.13 O=C1C=CC(C(=O)O)=NN1 ALBB-005625 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)N=C1 ALBB-013798 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.15 CCC(N)C1=CC=CC=C1 ALBB-001474 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.15 CNC(C)C1=CC=CC=C1 ALBB-016485 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.15 COC(=N)C1=CC=CC=C1 ALBB-033150 [0,1,0,0,0,0|1,0,2]=4 35 B10R1.15 COC(=N)C1=CC=CN=C1 ALBB-033274 [0,1,0,0,0,0|0,0,2]=3 36 B10R1.15 COC(=N)C1=NC=CN=C1 ALBB-017789 [0,1,0,0,0,0|1,0,2]=4 37 B10R1.15 COC(=O)C1=NC=CN=C1 ALBB-014717 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.15 NNC(=O)C1=CC=CC=N1 ALBB-001060 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.15 NNC(=O)C1=CN=CC=C1 ALBB-025730 [0,1,0,0,0,0|0,0,0]=1 40 B10R1.15 NNC(=O)C1=NC=CN=C1 ALBB-005884 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ALBB-014807 [0,1,0,0,0,0|1,0,1]=3 42 B10R1.15 N\C(=N/O)C1=CC=NC=C1 ALBB-014810 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.15 N\C(=N/O)C1=CN=CC=C1 ALBB-014809 [0,1,0,0,0,0|0,0,1]=2 44 B10R1.15 N\C(=N/O)C1=NC=CC=C1 ALBB-014808 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.15 N\C(=N/O)C1=NC=CN=C1 ALBB-014816 [0,1,0,0,0,0|1,0,1]=3 46 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 ALBB-002134 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.61 CC1=CC=CC=C1C(C)N ALBB-027087 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.61 CC1=CN=CC=C1C(=O)O ALBB-031683 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 ALBB-031172 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ALBB-008671 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 ALBB-016422 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.61 O=C(O)C1=C(S)N=CC=C1 ALBB-005999 [0,1,0,0,0,0|1,0,0]=2 53 B10R1.113 CC(N)C1=CC(Br)=CC=C1 ALBB-005066 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 ALBB-002194 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.113 CC1=CC=CC(C(C)N)=C1 ALBB-002189 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ALBB-016300 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 ALBB-022380 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.113 NC1=CC(C(=O)O)=NC=C1 ALBB-030554 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=C1 ALBB-028821 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 ALBB-022487 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 ALBB-017976 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.7 CC(=O)C1=CSC=C1 ALBB-005994 [0,0,0,0,1,0|2,0,0]=3 63 B8R1.7 CC(N)C1=CC=CO1 ALBB-005423 [0,0,0,0,1,0|2,0,1]=4 64 B8R1.7 CC(N)C1=CC=CS1 ALBB-000031 [0,0,0,0,1,0|2,0,1]=4 65 B8R1.7 CC(N)C1=CC=CS1 ALBB-000031 [0,0,0,0,1,0|2,0,1]=4 66 B8R1.7 CC(N)C1=CSC=C1 ALBB-021779 [0,0,0,0,1,0|2,0,1]=4 67 B8R1.7 CC(N)C1=NC=CS1 ALBB-015076 [0,0,0,0,1,0|2,0,1]=4 68 B8R1.7 N=C(N)C1=CC=CO1 ALBB-008866 [0,0,0,0,1,0|2,0,0]=3 69 B8R1.7 O=C(O)C1=CN=CS1 ALBB-013700 [0,0,0,0,1,0|2,0,0]=3 70 B8R1.7 O=C(O)C1=CNC=N1 ALBB-025706 [0,0,0,0,1,0|2,0,0]=3 71 B8R1.7 O=C(O)C1=COC=C1 ALBB-005990 [0,0,0,0,1,0|2,0,0]=3 72 B8R1.7 O=C(O)C1=CSC=C1 ALBB-012106 [0,0,0,0,1,0|2,0,0]=3 73 B8R1.7 O=C(O)C1=CSN=N1 ALBB-026643 [0,0,0,0,1,0|3,0,0]=4 74 B8R1.7 O=C(O)C1=NC=NN1 ALBB-022317 [0,0,0,0,1,0|3,0,0]=4 75 B8R1.7 O=C(O)C1=NNC=C1 ALBB-006075 [0,0,0,0,1,0|2,0,0]=3 76 B8R1.7 O=[N+]([O-])C1=CNN=C1 ALBB-004465 [0,0,0,0,1,0|3,0,0]=4 77 B8R1.7 O=[N+]([O-])C1=NC=CN1 ALBB-016499 [0,0,0,0,1,0|3,0,0]=4 78 B8R1.7 O=[N+]([O-])C1=NNC=C1 ALBB-004466 [0,0,0,0,1,0|3,0,0]=4 79 B8R1.7 O=[N+]([O-])N1C=CC=N1 ALBB-009826 [0,0,0,0,1,0|3,0,0]=4 80 B10R1.18 CC(=O)CC1=NC=CC=C1 ALBB-014921 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.18 CC(=O)NC1=CC=CN=C1 ALBB-017764 [0,0,0,0,0,1|1,0,0]=2 82 B10R1.18 CC(=O)OC1=CC=CN=C1 ALBB-021947 [0,0,0,0,0,1|1,0,0]=2 83 B10R1.18 CC(N)CC1=NC=CN=C1 ALBB-014356 [0,0,0,0,0,1|2,0,1]=4 84 B10R1.18 NC(=S)CC1=CC=CC=C1 ALBB-024310 [0,0,0,0,0,1|1,1,0]=3 85 B10R1.18 O=C(O)CC1=CC=CN=C1 ALBB-033044 [0,0,0,0,0,1|1,0,0]=2 86 B9R1.1 CC1=CC=C(CO)C=N1 ALBB-030074 [1,1,0,0,0,0|0,0,2]=4 87 B9R1.1 ClCC1=CC=C(Cl)N=C1 ALBB-016819 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.1 NCC1=CC=C(N)C=C1 ALBB-025554 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.1 NCC1=CC=C(O)C=C1 ALBB-004114 [1,1,0,0,0,0|1,0,1]=4 90 B9R1.1 NNC1=CC=C(Br)C=C1 ALBB-024948 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.1 NNC1=CC=C(Br)C=C1 ALBB-024948 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.1 NNC1=CC=C(Cl)C=C1 ALBB-005982 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.1 NNC1=CC=C(Cl)C=C1 ALBB-005982 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.1 NNC1=CC=C(I)C=C1 ALBB-024947 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.1 NNC1=NN=C(Cl)C=C1 ALBB-012287 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.2 CC1=CC(C#N)=CN=C1 ALBB-025749 [1,1,0,0,0,0|0,0,2]=4 97 B9R1.2 CC1=CC=CC(CN)=C1 ALBB-005972 [1,1,0,0,0,0|1,0,1]=4 98 B9R1.2 N#CC1=CC(Br)=CN=C1 ALBB-005237 [1,1,0,0,0,0|0,0,2]=4 99 B9R1.2 NCC1=CC=CC(F)=C1 ALBB-007577 [1,1,0,0,0,0|1,0,1]=4 100 B9R1.2 NNC1=CC(Cl)=CC=C1 ALBB-005985 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.2 NNC1=CC=CC(F)=C1 ALBB-005989 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.8 N#CCC1=CC=CN=C1 ALBB-009272 [1,1,0,0,0,0|0,0,2]=4 103 B9R1.8 NCCC1=CC=CN=C1 ALBB-006042 [1,1,0,0,0,0|0,0,1]=3 104 B9R1.8 NNCC1=CC=CC=C1 ALBB-029808 [1,1,0,0,0,0|1,0,1]=4 105 B9R1.15 CC1=C(NN)C=CC=C1 ALBB-005955 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.15 CC1=C(NN)C=CC=C1 ALBB-005955 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.15 CC1=CC=CC=C1CN ALBB-027035 [1,1,0,0,0,0|1,0,1]=4 108 B9R1.15 CC1=NC=CC=C1CCl ALBB-022808 [1,1,0,0,0,0|1,0,1]=4 109 B9R1.15 N#CC1=CC=CN=C1Cl ALBB-006319 [1,1,0,0,0,0|0,0,2]=4 110 B9R1.15 N#CC1=CC=CN=C1O ALBB-020186 [1,1,0,0,0,0|0,0,2]=4 111 B9R1.15 NC1=NC=CC=C1C=O ALBB-029924 [1,1,0,0,0,0|0,0,0]=2 112 B9R1.15 NCC1=C(N)C=CC=C1 ALBB-006006 [1,1,0,0,0,0|1,0,1]=4 113 B9R1.15 NNC1=C(F)C=CC=C1 ALBB-005977 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.15 NNC1=CC=CC=C1Br ALBB-014120 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.15 NNC1=CC=CC=C1Cl ALBB-005963 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.15 O=CC1=CC=CN=C1Cl ALBB-028016 [1,1,0,0,0,0|0,0,0]=2 117 B9R1.15 O=CC1=CC=CNC1=O ALBB-022939 [1,1,0,0,0,0|0,0,1]=3 118 B9R1.15 OCC1=CC=CN=C1Cl ALBB-014837 [1,1,0,0,0,0|0,0,2]=4 119 B9R1.11 CCC(=O)C1=CC=CS1 ALBB-002872 [0,1,0,0,1,0|2,0,0]=4 120 B9R1.11 COC(=O)C1=CC=CN1 ALBB-017977 [0,1,0,0,1,0|1,0,1]=4 121 B9R1.11 COC(=O)C1=NNC=C1 ALBB-003661 [0,1,0,0,1,0|2,0,0]=4 122 B9R1.11 NNC(=O)C1=CC=CN1 ALBB-032631 [0,1,0,0,1,0|0,0,1]=3 123 B9R1.11 NNC(=O)C1=CC=NN1 ALBB-012438 [0,1,0,0,1,0|1,0,0]=3 124 B9R1.11 N\C(=N/O)C1=CC=CO1 ALBB-035322 [0,1,0,0,1,0|1,0,1]=4 125 B9R1.11 N\C(=N/O)C1=CC=CS1 ALBB-035273 [0,1,0,0,1,0|1,0,1]=4 126 B9R1.35 CC(=O)C1=CC=C(C)O1 ALBB-002841 [0,1,0,0,1,0|2,0,0]=4 127 B9R1.35 CC(=O)C1=CN(C)N=C1 ALBB-002834 [0,1,0,0,1,0|2,0,0]=4 128 B9R1.35 CC1=CC(C(=O)Cl)=NO1 ALBB-010797 [0,1,0,0,1,0|2,0,0]=4 129 B9R1.35 CC1=CC(C(=O)O)=NO1 ALBB-000121 [0,1,0,0,1,0|2,0,0]=4 130 B9R1.35 CC1=CC(C(N)=O)=NO1 ALBB-014331 [0,1,0,0,1,0|1,0,0]=3 131 B9R1.35 CC1=CC=C(C(=O)Cl)O1 ALBB-028818 [0,1,0,0,1,0|2,0,0]=4 132 B9R1.35 CC1=CC=C(C(=O)Cl)S1 ALBB-011191 [0,1,0,0,1,0|2,0,0]=4 133 B9R1.35 CC1=CC=C(C(=O)O)O1 ALBB-026656 [0,1,0,0,1,0|2,0,0]=4 134 B9R1.35 CC1=CC=C(C(=O)O)S1 ALBB-000788 [0,1,0,0,1,0|2,0,0]=4 135 B9R1.35 CC1=NC(C(=N)N)=CS1 ALBB-031227 [0,1,0,0,1,0|2,0,0]=4 136 B9R1.35 CC1=NC(C(=O)O)=CO1 ALBB-016466 [0,1,0,0,1,0|2,0,0]=4 137 B9R1.35 CC1=NC=C(C(=O)O)S1 ALBB-024727 [0,1,0,0,1,0|2,0,0]=4 138 B9R1.35 CC1=NNC(C(=O)O)=C1 ALBB-006653 [0,1,0,0,1,0|2,0,0]=4 139 B9R1.35 CN1C=C(C(=O)O)C=N1 ALBB-000147 [0,1,0,0,1,0|2,0,0]=4 140 B9R1.35 CN1C=CC(C(=O)O)=N1 ALBB-004719 [0,1,0,0,1,0|2,0,0]=4 141 B9R1.35 CN1C=CC(C(N)=O)=N1 ALBB-028883 [0,1,0,0,1,0|1,0,0]=3 142 B9R1.35 NC(=O)C1=CC=C(Br)S1 ALBB-010193 [0,1,0,0,1,0|1,0,0]=3 143 B9R1.35 NC(=O)C1=NNC(N)=N1 ALBB-030734 [0,1,0,0,1,0|2,0,0]=4 144 B9R1.35 NC1=CC(C(=O)O)=NN1 ALBB-000317 [0,1,0,0,1,0|2,0,0]=4 145 B9R1.35 NC1=CC(C(=O)O)=NN1 ALBB-000317 [0,1,0,0,1,0|2,0,0]=4 146 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 ALBB-011190 [0,1,0,0,1,0|2,0,0]=4 147 B9R1.35 O=C(O)C1=CC(Br)=CS1 ALBB-000933 [0,1,0,0,1,0|2,0,0]=4 148 B9R1.35 O=C(O)C1=CC(Br)=NO1 ALBB-034815 [0,1,0,0,1,0|2,0,0]=4 149 B9R1.35 O=C(O)C1=CC(O)=NO1 ALBB-005422 [0,1,0,0,1,0|2,0,0]=4 150 B9R1.35 O=C(O)C1=CC=C(Br)S1 ALBB-000786 [0,1,0,0,1,0|2,0,0]=4 151 B9R1.35 O=C(O)C1=CC=C(Cl)S1 ALBB-000787 [0,1,0,0,1,0|2,0,0]=4 152 B9R1.35 O=C(O)C1=CSC(Br)=N1 ALBB-026644 [0,1,0,0,1,0|2,0,0]=4 153 B9R1.41 CC1=C(C(=O)Cl)C=NO1 ALBB-005417 [0,1,0,0,1,0|2,0,0]=4 154 B9R1.41 CC1=C(C(=O)O)C=CO1 ALBB-023547 [0,1,0,0,1,0|2,0,0]=4 155 B9R1.41 CC1=C(C(=O)O)C=NN1 ALBB-005391 [0,1,0,0,1,0|2,0,0]=4 156 B9R1.41 CC1=C(C(=O)O)C=NO1 ALBB-005390 [0,1,0,0,1,0|2,0,0]=4 157 B9R1.41 CC1=C(C(=O)O)NC=N1 ALBB-011929 [0,1,0,0,1,0|2,0,0]=4 158 B9R1.41 CC1=C(C(=O)O)SC=C1 ALBB-005998 [0,1,0,0,1,0|2,0,0]=4 159 B9R1.41 CC1=C(C(=O)O)SC=N1 ALBB-016438 [0,1,0,0,1,0|2,0,0]=4 160 B9R1.41 CN1C=CC=C1C(=O)O ALBB-019244 [0,1,0,0,1,0|1,0,1]=4 161 B9R1.41 CN1C=CN=C1C(=O)O ALBB-026373 [0,1,0,0,1,0|2,0,0]=4 162 B9R1.41 CN1C=NC=C1C(=O)O ALBB-014972 [0,1,0,0,1,0|2,0,0]=4 163 B9R1.41 CN1N=CC=C1C(=O)O ALBB-000283 [0,1,0,0,1,0|2,0,0]=4 164 B9R1.41 NC(=O)C1=C(N)SC=C1 ALBB-000271 [0,1,0,0,1,0|1,0,0]=3 165 B9R1.41 NC(=O)C1=NON=C1N ALBB-006702 [0,1,0,0,1,0|2,0,0]=4 166 B9R1.41 NC1=C(C(=O)O)C=NN1 ALBB-005479 [0,1,0,0,1,0|2,0,0]=4 167 B9R1.41 NC1=C(C(=O)[O-])SC=C1 ALBB-014295 [0,1,0,0,1,0|2,0,0]=4 168 B9R1.41 O=C(O)C1=C(I)C=NN1 ALBB-003732 [0,1,0,0,1,0|2,0,0]=4 169 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 ALBB-034272 [0,1,0,0,0,1|1,1,0]=4 170 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 ALBB-019794 [0,1,0,0,0,1|1,0,0]=3 171 B11R1.40 CCC(=O)CC1=CC=CC=C1 ALBB-022774 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.40 NCC(=O)NC1=CC=CC=C1 ALBB-032235 [0,1,0,0,0,1|1,0,0]=3 173 B11R1.40 NNC(=O)CC1=CC=CC=C1 ALBB-001037 [0,1,0,0,0,1|1,0,0]=3 174 B11R1.40 NNC(=O)NC1=CC=CC=C1 ALBB-002786 [0,1,0,0,0,1|1,0,0]=3 175 B11R1.40 NNC(=O)NC1=CC=CC=C1 ALBB-002786 [0,1,0,0,0,1|1,0,0]=3 176 B11R1.40 NNC(=S)NC1=CC=CC=C1 ALBB-002787 [0,1,0,0,0,1|1,1,0]=4 177 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ALBB-002246 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.40 O=C(CS)NC1=CC=CC=C1 ALBB-017010 [0,1,0,0,0,1|2,0,0]=4 179 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 ALBB-006008 [0,1,0,0,0,1|2,0,0]=4 180 B11R1.86 CC1=C(CC(=O)Cl)C=CC=C1 ALBB-031004 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.86 NC(=O)CC1=CC=CC=C1O ALBB-026230 [0,1,0,0,0,1|1,0,0]=3 182 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 ALBB-025724 [0,1,0,0,0,1|2,0,0]=4 183 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 ALBB-004943 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.157 NC(=O)NC1=CC(O)=CC=C1 ALBB-035798 [0,1,0,0,0,1|1,0,0]=3 185 B11R1.157 NC(=S)NC1=CC=CC(Br)=C1 ALBB-034435 [0,1,0,0,0,1|1,1,0]=4 186 B11R1.3 COC1=NC=C(C(=O)O)C=C1 ALBB-028049 [0,2,0,0,0,0|1,0,0]=3 187 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 ALBB-015033 [0,2,0,0,0,0|1,0,0]=3 188 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ALBB-036362 [0,2,0,0,0,0|1,0,0]=3 189 B11R1.3 NNC1=NC=C([N+](=O)[O-])C=C1 ALBB-023706 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 ALBB-017953 [0,2,0,0,0,0|2,0,0]=4 191 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 ALBB-029043 [0,2,0,0,0,0|2,0,0]=4 192 B11R1.21 CC(=O)C1=CC(C)=C(C)C=C1 ALBB-004401 [0,2,0,0,0,0|2,0,0]=4 193 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 ALBB-016820 [0,2,0,0,0,0|2,0,0]=4 194 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 ALBB-014349 [0,2,0,0,0,0|2,0,0]=4 195 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 ALBB-014349 [0,2,0,0,0,0|2,0,0]=4 196 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 ALBB-006209 [0,2,0,0,0,0|2,0,0]=4 197 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 ALBB-013962 [0,2,0,0,0,0|2,0,0]=4 198 B11R1.21 CN1C=C(C(=O)O)C=CC1=O ALBB-000156 [0,2,0,0,0,0|1,0,1]=4 199 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 ALBB-026895 [0,2,0,0,0,0|2,0,0]=4 200 B11R1.21 O=C(O)C1=CC=C(I)C(Br)=C1 ALBB-032708 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 ALBB-014812 [0,2,0,0,0,0|1,0,1]=4 202 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 ALBB-012016 [0,2,0,0,0,0|1,0,0]=3 203 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 ALBB-002184 [0,2,0,0,0,0|1,0,0]=3 204 B11R1.22 CNC(=O)C1=CN=C(Br)C=C1 ALBB-033764 [0,2,0,0,0,0|0,0,0]=2 205 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ALBB-026631 [0,2,0,0,0,0|1,0,0]=3 206 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 ALBB-006243 [0,2,0,0,0,0|1,0,0]=3 207 B11R1.22 COC(=O)C1=NC=C(C)N=C1 ALBB-027674 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 ALBB-024415 [0,2,0,0,0,0|1,0,0]=3 209 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 ALBB-001058 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.22 NNC(=O)C1=CN=C(Cl)C=C1 ALBB-030715 [0,2,0,0,0,0|0,0,0]=2 211 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 ALBB-014811 [0,2,0,0,0,0|1,0,1]=4 212 B11R1.22 N\C(=N\O)C1=CC=C(Cl)N=C1 ALBB-034077 [0,2,0,0,0,0|0,0,1]=3 213 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 ALBB-031762 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 ALBB-036263 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 ALBB-026578 [0,2,0,0,0,0|1,0,1]=4 216 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 ALBB-017532 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 ALBB-005466 [0,2,0,0,0,0|1,0,0]=3 218 B11R1.166 CC1=CC=C([N+](=O)[O-])C(N)=N1 ALBB-032236 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 ALBB-005392 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.166 O=C(Cl)C1=CC=C(Cl)C=C1O ALBB-032119 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.166 O=[N+]([O-])C1=CC=C(Br)N=C1Br ALBB-030556 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.16 CCOC(=O)C1=NC=CN=C1 ALBB-003875 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.16 N#CNC(=O)C1=CC=CC=C1 ALBB-016759 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.16 N#C\C=C(\N)C1=CC=CC=C1 ALBB-034271 [0,2,0,0,0,0|2,0,0]=4 225 B11R1.16 O=C(NCO)C1=CC=CN=C1 ALBB-023192 [0,2,0,0,0,0|0,0,0]=2 226 B11R1.23 CNC(=O)C1=CC(Br)=CC=C1 ALBB-009487 [0,2,0,0,0,0|1,0,0]=3 227 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 ALBB-019944 [0,2,0,0,0,0|1,0,0]=3 228 B11R1.23 N=C(NO)C1=CC=CC(Cl)=C1 ALBB-030253 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.23 NNC(=O)C1=CC(Cl)=NC=C1 ALBB-022372 [0,2,0,0,0,0|2,0,0]=4 230 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 ALBB-033577 [0,2,0,0,0,0|1,0,0]=3 231 B11R1.23 NNC(=O)C1=CC=CC(O)=C1 ALBB-001057 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.23 NNC(=O)C1=CN=CC(Br)=C1 ALBB-029095 [0,2,0,0,0,0|0,0,0]=2 233 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 ALBB-014813 [0,2,0,0,0,0|1,0,1]=4 234 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 ALBB-018686 [0,2,0,0,0,0|1,0,0]=3 235 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 ALBB-024721 [0,2,0,0,0,0|1,0,0]=3 236 B11R1.222 COC(=O)C1=CC=CN=C1N ALBB-030657 [0,2,0,0,0,0|1,0,0]=3 237 B11R1.222 COC(=O)C1=CC=CNC1=O ALBB-034118 [0,2,0,0,0,0|1,0,1]=4 238 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 ALBB-030168 [0,2,0,0,0,0|1,0,0]=3 239 B11R1.222 NNC(=O)C1=CC=CC=C1I ALBB-001064 [0,2,0,0,0,0|1,0,0]=3 240 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 ALBB-021379 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.87 NC1=CC=CC=C1S(N)(=O)=O ALBB-023260 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.53 CNC1=NC=CC=C1C(=O)O ALBB-004269 [0,2,0,0,0,0|1,0,0]=3 243 B11R1.53 CNC1=NC=CC=C1[N+](=O)[O-] ALBB-016182 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.53 CSC1=CC=CC=C1C(=O)O ALBB-023339 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.53 N#CC1=CC=CC=C1C(N)=O ALBB-032703 [0,2,0,0,0,0|1,0,0]=3 246 B11R1.53 NNC1=CC=CC=C1C(=O)O ALBB-003949 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.53 NNC1=CC=CC=C1C(=O)O ALBB-003949 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.53 NNC1=NC=CC=C1[N+](=O)[O-] ALBB-025478 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.53 O=[IH2]C1=CC=CC=C1C(=O)O ALBB-030082 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl ALBB-025048 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.159 NC1=C(C(=O)O)C=CC=C1O ALBB-024973 [0,2,0,0,0,0|2,0,0]=4 252 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 ALBB-017940 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 ALBB-006381 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.167 CC1=CC=C(C)C(C(=O)Cl)=C1 ALBB-034794 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 ALBB-006133 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.167 O=C(O)C1=CC(I)=CN=C1O ALBB-034521 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 ALBB-006378 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.74 N=C(N)C1=CC(O)=CC(O)=C1 ALBB-013795 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.74 NC(=O)C1=NC(C)=CC(Cl)=C1 ALBB-035132 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 ALBB-016483 [0,2,0,0,0,0|1,0,0]=3 261 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 ALBB-003944 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 ALBB-003944 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 ALBB-003892 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 ALBB-018626 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 ALBB-018620 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.13 NC(=O)CN1C=CN=C1 ALBB-012442 [0,0,1,1,0,0|1,0,1]=4 267 B9R1.69 O=C1NC(Cl)=NC=C1F ALBB-022871 [0,0,1,1,0,0|2,0,0]=4 268 B11R2.10 SC1=NC2=CC=CN=C2N1 ALBB-028710 [0,0,0,1,0,1|0,1,0]=3 269 B11R2.10 SC1=NC2=NC=CC=C2O1 ALBB-014695 [0,0,0,1,0,1|0,1,1]=4 270 B11R2.1 CC1=NNC2=CC=CC=C21 ALBB-018700 [0,1,0,1,0,0|2,0,0]=4 271 B11R2.1 CC1=NNC2=CC=CC=C21 ALBB-018700 [0,1,0,1,0,0|2,0,0]=4 272 B11R2.1 CC1=NNC2=NC=CC=C12 ALBB-031559 [0,1,0,1,0,0|1,0,0]=3 273 B11R2.1 NC1=NNC2=C1C=CC=C2 ALBB-028239 [0,1,0,1,0,0|2,0,0]=4 274 B11R2.1 NC1=NOC2=CC=CC=C21 ALBB-006860 [0,1,0,1,0,0|1,0,1]=4 275 B11R2.1 O=C1NCC2=CC=CC=C12 ALBB-012842 [0,1,0,1,0,0|1,0,0]=3 276 B11R2.1 S=C1SSC2=C1C=CC=N2 ALBB-009291 [0,1,0,1,0,0|1,1,0]=4 277 B7R1.1 NCC1=CN=CS1 ALBB-004674 [1,0,0,0,1,0|1,0,1]=4 278 B7R1.1 NCC1=CN=CS1 ALBB-004674 [1,0,0,0,1,0|1,0,1]=4 279 B7R1.1 NCC1=CSC=C1 ALBB-015182 [1,0,0,0,1,0|1,0,1]=4 280 B7R1.1 NCC1=CSC=C1 ALBB-015182 [1,0,0,0,1,0|1,0,1]=4 281 B7R1.1 NCC1=NC=CS1 ALBB-004671 [1,0,0,0,1,0|1,0,1]=4 282 B11R1.91 N=C(N)NCC1=CC=CC=C1 ALBB-005187 [0,0,0,0,0,2|2,0,0]=4 283 B11R1.91 N=C(N)NCC1=CC=CC=C1 ALBB-005187 [0,0,0,0,0,2|2,0,0]=4 284 B11R1.91 N=C(N)SCC1=CC=CC=C1 ALBB-019676 [0,0,0,0,0,2|2,0,0]=4 285 B11R1.91 NC(=S)COC1=CC=CC=C1 ALBB-034407 [0,0,0,0,0,2|1,1,0]=4 286 B11R1.91 O=C(O)C#CC1=CC=CC=C1 ALBB-000973 [0,0,0,0,0,2|2,0,0]=4 287 B11R1.91 O=C(O)CNC1=CC=CC=C1 ALBB-000236 [0,0,0,0,0,2|2,0,0]=4 288 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 ALBB-007463 [0,0,0,0,0,2|1,0,0]=3 289 B11R1.91 O=[N+]([O-])\C=C\C1=CN=CC=C1 ALBB-022258 [0,0,0,0,0,2|2,0,0]=4