0 B10R1.4 CC1=CC=CC=C1CNN ALBB-012492 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CCNC1=CC=CN=C1 ALBB-028026 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.15 CSC1=NC=CC=C1N ALBB-025504 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.15 NCC1=CC=CN=C1Cl ALBB-022798 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.15 NCC1=CC=CN=C1N ALBB-014428 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 NCC1=CC=CN=C1N ALBB-014428 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 ALBB-014198 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.17 N#CCCN1C=CC=CC1=O ALBB-025514 [0,1,0,0,0,0|1,0,2]=4 10 B11R1.17 NCCCC1=C(Cl)C=CC=C1 ALBB-027051 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.17 NCCCN1C=CC=CC1=O ALBB-025519 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.81 NC1=NC(O)=C(CCCl)C=N1 ALBB-010776 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.81 NCCC1=CNC(=O)NC1=O ALBB-008906 [0,1,0,0,0,0|2,0,1]=4 14 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 ALBB-021333 [0,0,0,1,0,0|2,0,1]=4 15 B11R2.10 NC1=NC2=CC=CC=C2O1 ALBB-005881 [0,0,0,1,0,0|1,0,1]=3 16 B11R2.10 NC1=NC2=NC=CC=C2O1 ALBB-025518 [0,0,0,1,0,0|2,0,1]=4 17 B11R2.20 C1=CC=C2SCCNC2=C1 ALBB-006553 [0,0,0,1,0,0|2,1,0]=4 18 B11R2.20 C1=CC=C2SCCNC2=C1 ALBB-006553 [0,0,0,1,0,0|2,1,0]=4 19 B11R2.106 CC1=C2N=NNC2=CC=C1 ALBB-005409 [0,0,0,1,0,0|3,0,0]=4 20 B11R2.106 NC1=C2N=NNC2=CC=C1 ALBB-011924 [0,0,0,1,0,0|3,0,0]=4 21 B11R2.106 NC1=C2N=NNC2=CC=C1 ALBB-011924 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.33 CC1=C(CCN)N=CN1 ALBB-030504 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.33 CC1=C(CCN)SC=N1 ALBB-015196 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.33 CC1=NC=CN1CCN ALBB-010783 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.33 CN1C=CN=C1CCN ALBB-015244 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.33 CN1N=CC=C1CCN ALBB-021667 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 NCC1=NC=NC=C1 ALBB-018328 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.1 CNCC1=CC=C(Br)C=C1 ALBB-021485 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.1 CNCC1=CC=C(O)C=C1 ALBB-004091 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.10 CC1=CC=CC(CCN)=N1 ALBB-014354 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.10 CNCC1=CC(O)=CC=C1 ALBB-004075 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.10 COCC1=CC=CC(N)=C1 ALBB-024619 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.10 NC1=CC=CC(CCO)=N1 ALBB-033070 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.10 NNCC1=CC(Cl)=CC=C1 ALBB-022670 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.15 CC(NN)C1=CC=CN=C1 ALBB-018062 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.15 CC(NN)C1=CC=NC=C1 ALBB-018061 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.17 BrCCCC1=CC=CN=C1 ALBB-021980 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.17 ClCCCC1=CC=NC=C1 ALBB-022002 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.17 NCCCC1=CC=NC=C1 ALBB-022001 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.18 N=C(N)CC1=CC=CC=C1 ALBB-033340 [1,1,0,0,0,0|0,0,1]=3 43 B10R1.18 N=C(N)CC1=CC=CN=C1 ALBB-004984 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.2 CN1C=CC=C(CN)C1=O ALBB-034620 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.20 CNC1=NC=CC=C1CN ALBB-032496 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.25 CNC1=C(C)C=C(C)C=C1 ALBB-020240 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.25 NCC1=C(O)C=C(O)C=C1 ALBB-014856 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.30 CCC1=C(O)C=CC(C)=N1 ALBB-019184 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.30 CCC1=C(O)C=CC(C)=N1 ALBB-019184 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.245 CCC1=C(O)N=CNC1=O ALBB-030461 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.544 CN1C(=O)N=CC(CCN)=C1O ALBB-008903 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.267 NCCOCC1=CC=CC=C1Cl ALBB-010307 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.371 NC(CO)CC1=CC=CC=C1F ALBB-033341 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.1631 CC1=C(OCCN)C(Cl)=CC=C1 ALBB-023887 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.1631 CC1=CC=CC(=O)N1CCCN ALBB-026292 [0,2,0,0,0,0|1,0,1]=4 56 B10R1.21 NCCSCC1=CC=CO1 ALBB-027080 [0,0,1,1,0,0|1,0,1]=4 57 B12R2.1081 OC1=C2CCNCC2=CC=C1 ALBB-029016 [0,1,0,1,0,0|0,0,0]=2 58 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|2,0,0]=4 59 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|2,0,0]=4 60 B12R2.24 FC1=CC=C2NCCCC2=C1 ALBB-025508 [0,1,0,1,0,0|2,0,0]=4 61 B12R2.24 NC1CCC2=C(C=CC=C2)C1 ALBB-025644 [0,1,0,1,0,0|1,0,0]=3 62 B12R2.32 NCC1=CC2=CC=CC=C2O1 ALBB-024720 [0,1,0,1,0,0|0,0,1]=3 63 B12R2.32 NCC1=NC2=CC=CC=C2N1 ALBB-000022 [0,1,0,1,0,0|1,0,1]=4 64 B12R2.32 NCC1=NC2=CC=CC=C2O1 ALBB-005882 [0,1,0,1,0,0|0,0,1]=3 65 B12R2.18 NC1NC2=CC=CC=C2C1=O ALBB-032691 [0,1,0,1,0,0|1,0,1]=4 66 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 ALBB-012408 [0,1,0,1,0,0|1,0,1]=4 67 B12R2.606 CC1=CC=C2OC(N)=NC2=C1 ALBB-024676 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.606 NC1=NC2=CC(F)=CC=C2O1 ALBB-027302 [0,1,0,1,0,0|1,0,1]=4 69 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 ALBB-012399 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.8 NCCC1=CSC=C1 ALBB-015286 [1,0,0,0,1,0|1,0,0]=3 71 B8R1.8 NCCC1=CSC=N1 ALBB-031920 [1,0,0,0,1,0|2,0,0]=4 72 B8R1.8 NCCC1=NC=CN1 ALBB-013489 [1,0,0,0,1,0|2,0,0]=4 73 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.8 NCCC1=NNC=C1 ALBB-018082 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.8 NCCN1C=CC=N1 ALBB-008647 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.8 NCCN1C=CC=N1 ALBB-008647 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.11 CN1C=CC=C1CN ALBB-012806 [1,0,0,0,1,0|2,0,0]=4