0 B8R1.7 CC(=O)C1=NC=CN1 ALBB-021708 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.7 CC(=O)C1=NC=NN1 ALBB-014861 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 CC(C)C1=NC=NN1 ALBB-027660 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 CC(N)C1=CSC=N1 ALBB-015230 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 N=C(N)C1=CNC=N1 ALBB-036384 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 NC(=O)C1=CNN=C1 ALBB-016381 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.7 O=C(Cl)C1=CC=NN1 ALBB-030529 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.7 O=C(Cl)C1=CNN=C1 ALBB-036412 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 O=C(O)C1=CNN=C1 ALBB-000146 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 O=C(O)C1=NOC=C1 ALBB-021710 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.7 OB(O)C1=CC=NN1 ALBB-012240 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 CCC1=NNC=C1 ALBB-016439 [1,0,0,0,0,0|1,0,2]=4 12 B7R1.1 NCC1=CC=NN1 ALBB-018304 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.1 NCC1=CC=NN1 ALBB-018304 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 NCC1=NC=CN1 ALBB-008641 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.1 NCC1=NC=CN1 ALBB-008641 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 O=CC1=CN=CS1 ALBB-015207 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 O=CC1=CNN=C1 ALBB-016378 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 O=CC1=NC=NN1 ALBB-030493 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.11 CCC(=O)C1=NC=CS1 ALBB-015272 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.11 COC(=N)C1=CNC=N1 ALBB-036385 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.11 COC(=O)C1=CC=NO1 ALBB-027244 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.11 NCC(=O)C1=CSC=C1 ALBB-028035 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.35 CC(=O)C1=CN=C(N)O1 ALBB-025486 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.35 CC(=O)C1=CSC(C)=N1 ALBB-015201 [0,1,0,0,0,0|1,0,1]=3 27 B9R1.35 CC(=O)C1=NC(C)=CN1 ALBB-026369 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.35 CC(C)C1=NC(I)=CN1 ALBB-031118 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.35 CC1=CC(C(=O)Cl)=CS1 ALBB-011311 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.35 CC1=CC(C(=O)O)=CS1 ALBB-000918 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.35 CC1=CC=C(C(=N)N)O1 ALBB-016449 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.35 CC1=CN=C(C(=O)[O-])S1 ALBB-015215 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.35 CC1=CNC(C(=O)O)=N1 ALBB-014829 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.35 CC1=CNC(C(C)N)=N1 ALBB-028865 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.35 CC1=CSC(C(=O)[O-])=N1 ALBB-010055 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.35 CC1=NC(C(=O)Cl)=CO1 ALBB-028783 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.35 CC1=NOC(C(=O)O)=C1 ALBB-009979 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.35 CN1C=CC(C(=O)Cl)=N1 ALBB-009207 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.35 CN1C=NC(C(N)=O)=C1 ALBB-033875 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.35 NC(=O)C1=CC=C(Br)O1 ALBB-010192 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.35 NC(=O)C1=NC(Br)=NN1 ALBB-014201 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.35 NC1=NC(C(=O)O)=CS1 ALBB-012475 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.35 O=C(Cl)C1=CC(Br)=CS1 ALBB-011326 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.35 O=C(O)C1=CC(Cl)=NO1 ALBB-014179 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.35 O=C1NC=C(C(=O)O)N1 ALBB-024887 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.35 O=C1NN=C(C(=O)O)N1 ALBB-000293 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.35 O=C1NN=C(C(=O)O)N1 ALBB-000293 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.41 CC(=O)C1=C(C)N=CS1 ALBB-022346 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.41 CC(=O)C1=C(C)NN=C1 ALBB-018077 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.41 CC(=O)C1=CC=NN1C ALBB-003695 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.41 CC(=O)C1=NC=CN1C ALBB-011813 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.41 CC(C)C1=C(Br)C=NN1 ALBB-014841 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.41 CC(N)C1=CC=NN1C ALBB-021599 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.41 CC1=C(C(=O)O)C=CN1 ALBB-018078 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.41 CC1=C(C(=O)O)N=CO1 ALBB-022765 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.41 CC1=C(C(=O)O)N=CS1 ALBB-022320 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.41 CC1=C([N+](=O)[O-])NN=C1 ALBB-016313 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.41 CN1C=NN=C1C(=O)[O-] ALBB-027314 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.41 CN1N=CC=C1C(=O)Cl ALBB-009206 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.41 CN1N=CC=C1C(N)=O ALBB-016314 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.41 NC(=O)C1=C(Br)C=NN1 ALBB-013426 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.41 NC(=O)C1=C(Cl)C=NN1 ALBB-013433 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.41 NC(=O)C1=C(N)C=NN1 ALBB-013991 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.41 NC1=C(C(=O)O)NN=C1 ALBB-014000 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.41 NC1=CSN=C1C(=O)O ALBB-008116 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.41 O=C(O)C1=C(Br)C=NN1 ALBB-003736 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.41 O=C(O)C1=C(Cl)C=NN1 ALBB-013432 [0,1,0,0,0,0|2,0,0]=3 68 B9R2.2 C1=NNC(C2CC2)=C1 ALBB-018009 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.6 N=C(N)C1=CC=CC=C1 ALBB-021313 [0,0,0,0,0,1|3,0,0]=4 70 B9R1.6 O=C(O)C1=CC=CN=N1 ALBB-012268 [0,0,0,0,0,1|1,0,1]=3 71 B9R1.13 CC(=O)CC1=CC=CS1 ALBB-016451 [0,0,0,0,0,1|1,0,0]=2 72 B9R1.13 CC(=O)NC1=NC=CN1 ALBB-005139 [0,0,0,0,0,1|1,0,0]=2 73 B9R1.13 CC(=O)NC1=NNC=N1 ALBB-018568 [0,0,0,0,0,1|2,0,1]=4 74 B9R1.13 CC(C)CC1=NC=CN1 ALBB-013590 [0,0,0,0,0,1|2,0,1]=4 75 B9R1.13 N=C(N)CC1=CC=CS1 ALBB-016450 [0,0,0,0,0,1|3,0,0]=4 76 B9R1.13 NC(=O)CC1=CSC=N1 ALBB-018574 [0,0,0,0,0,1|2,0,1]=4 77 B9R1.13 O=C(O)CN1C=CC=C1 ALBB-012480 [0,0,0,0,0,1|3,0,0]=4 78 B6R1.2 BrC1=CC=NN1 ALBB-022824 [2,0,0,0,0,0|2,0,0]=4 79 B6R1.2 O=C1NC=CN1 ALBB-023528 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.1 CC1=CC(C=O)=NN1 ALBB-000096 [1,1,0,0,0,0|1,0,1]=4 81 B8R1.1 CC1=CN=C(C=O)S1 ALBB-015210 [1,1,0,0,0,0|1,0,1]=4 82 B8R1.1 CC1=CNC(C=O)=N1 ALBB-011815 [1,1,0,0,0,0|1,0,0]=3 83 B8R1.1 CCC1=CC(O)=NN1 ALBB-016424 [1,1,0,0,0,0|1,0,1]=4 84 B8R1.1 CCC1=NC(Br)=CN1 ALBB-032178 [1,1,0,0,0,0|1,0,1]=4 85 B8R1.1 O=CC1=CN=C(Cl)S1 ALBB-015270 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.1 O=CC1=CSC(Br)=C1 ALBB-027002 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.8 CNCC1=CC=NN1 ALBB-018712 [1,1,0,0,0,0|1,0,1]=4 88 B8R1.8 COCC1=NC=CN1 ALBB-030111 [1,1,0,0,0,0|1,0,1]=4 89 B8R1.8 NCCC1=NC=CN1 ALBB-013489 [1,1,0,0,0,0|1,0,1]=4 90 B8R1.11 CCC1=CC=NN1C ALBB-018404 [1,1,0,0,0,0|1,0,1]=4 91 B8R1.11 CN1C=CC=C1CN ALBB-012806 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.11 CN1N=CC=C1C=O ALBB-001068 [1,1,0,0,0,0|1,0,0]=3 93 B8R1.11 CN1N=CC=C1C=O ALBB-001068 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.13 NC(=O)C1=CC=C(N)N=C1 ALBB-025399 [0,1,0,0,0,1|1,0,1]=4 95 B10R1.61 N=C(N)C1=CC=CNC1=O ALBB-010782 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.64 CN1N=CC=C1CC(=O)O ALBB-032465 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.14 CCC(=O)C1=NC(C)=CN1 ALBB-026381 [0,2,0,0,0,0|1,0,0]=3 98 B10R1.14 CNC(=O)C1=NC(N)=NN1 ALBB-014882 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.14 COC(=O)C1=CC(Cl)=NO1 ALBB-035811 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.14 COC(=O)C1=CC(N)=NN1 ALBB-014008 [0,2,0,0,0,0|1,0,0]=3 101 B10R1.14 COC(=O)C1=NC(C)=NN1 ALBB-033528 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.149 CN1C=CC=C1\C(N)=N/O ALBB-016412 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.149 CN1C=CN=C1C(=O)NN ALBB-012424 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.149 CNC(=O)C1=C(N)C=CS1 ALBB-012303 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.149 COC(=O)C1=C(C)N=CN1 ALBB-017813 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.149 COC(=O)C1=CC=NN1C ALBB-026920 [0,2,0,0,0,0|1,0,0]=3 107 B10R1.149 COC(=O)C1=NNC=C1Cl ALBB-012524 [0,2,0,0,0,0|1,0,1]=4 108 B10R1.149 NNC(=O)C1=C(I)C=NN1 ALBB-012845 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 ALBB-011329 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.31 CCC1=NNC(C(=O)O)=C1 ALBB-016379 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.31 NCC1=CC=C(C(=O)O)O1 ALBB-027650 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.31 NCC1=CC=C(C(=O)O)O1 ALBB-027650 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.59 CC(=O)N1OC(N)=CC1=O ALBB-026698 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.59 CC1=CN(C)C(C(=O)O)=N1 ALBB-032099 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.59 CC1=NC(C)=C(C(=O)O)N1 ALBB-028918 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 ALBB-012570 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.59 CN1N=C(N)C=C1C(=O)O ALBB-018294 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.59 CN1N=C(N)C=C1C(=O)O ALBB-018294 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.194 NC1=NNC(C(=O)O)=C1Br ALBB-028509 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.39 CCN1N=CC=C1C(=O)Cl ALBB-009208 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.39 O=CC1=C(C(=O)O)NN=C1 ALBB-027174 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.192 CC(=O)C1=C(Br)C=NN1C ALBB-003678 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.192 CN1N=CC(Br)=C1C(=O)Cl ALBB-010034 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.192 CN1N=CC(Cl)=C1C(=O)Cl ALBB-010829 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.192 CN1N=CC(Cl)=C1C(=O)O ALBB-000284 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.192 CN1N=CC(N)=C1C(N)=O ALBB-009800 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.18 CC(=O)CC1=NC=CN=C1 ALBB-018085 [0,0,0,0,0,2|0,0,1]=3