0 B13R2.64 C1=CC=C(CC2=NN=NN2)C=C1 ALBB-023258 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.19 IC1=CN(CC2=CC=CC=C2)N=C1 ALBB-013412 [0,1,0,0,0,0|2,0,0]=3 2 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 ALBB-000292 [0,1,0,0,0,0|2,0,0]=3 3 B14R2.19 NC1=NC(CC2=CC=CC=C2)=CS1 ALBB-034824 [0,1,0,0,0,0|1,0,0]=2 4 B14R2.19 NC1=NC(NC2=CC=CC=C2)=NN1 ALBB-024712 [0,1,0,0,0,0|2,0,0]=3 5 B14R2.19 NC1=NN=C(CC2=CC=CC=C2)N1 ALBB-035363 [0,1,0,0,0,0|1,0,2]=4 6 B14R2.19 NC1=NN=C(CC2=CC=CC=C2)O1 ALBB-027371 [0,1,0,0,0,0|2,0,1]=4 7 B14R2.19 NC1=NN=C(CC2=CC=CC=C2)S1 ALBB-009385 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 ALBB-013335 [0,1,0,0,0,0|1,0,2]=4 9 B14R2.30 NC1=CC=NN1CC2=CC=CN=C2 ALBB-012204 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.30 O=C1NCCN1CC2=CC=CC=C2 ALBB-014421 [0,1,0,0,0,0|2,0,1]=4 11 B14R2.30 SC1=NC=CN1CC2=CC=CC=C2 ALBB-030068 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.30 SC1=NN=NN1CC2=CC=CC=C2 ALBB-026007 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.50 OC1=C(CN2C=CN=C2)C=CC=C1 ALBB-033436 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.72 ClC1=CC=C(CC2=NN=NN2)C=C1 ALBB-003649 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.72 NC1=CC=C(CN2C=CN=C2)C=C1 ALBB-024125 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.72 NC1=CC=C(CN2C=NC=N2)C=C1 ALBB-008923 [0,1,0,0,0,0|1,0,1]=3 17 B14R2.72 OC1=CC=C(CN2C=CN=C2)C=C1 ALBB-033445 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.32 CCOC(=N)CC1=CC=CC=C1 ALBB-033245 [0,0,1,0,0,0|2,0,1]=4 19 B12R2.2 C1=CC(C2=NC=CN2)=CC=N1 ALBB-022336 [0,0,0,0,1,0|3,0,0]=4 20 B12R2.2 C1=CC(C2=NC=CN2)=CN=C1 ALBB-022337 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 ALBB-005415 [0,0,0,0,1,0|2,0,0]=3 22 B12R2.2 C1=CC=C(C2=NNN=N2)C=C1 ALBB-013538 [0,0,0,0,1,0|2,0,0]=3 23 B12R2.2 C1=CN=C(C2=CNN=C2)C=C1 ALBB-034748 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 ALBB-017219 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.40 NNC(=O)CC1=CC=CC=C1 ALBB-001037 [1,0,1,0,0,0|1,0,1]=4 26 B13R2.10 BrC1=CNC(C2=CC=CC=C2)=N1 ALBB-016437 [0,1,0,0,1,0|2,0,0]=4 27 B13R2.10 CC1=CC(C2=CC=CC=C2)=NN1 ALBB-033957 [0,1,0,0,1,0|2,0,0]=4 28 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 ALBB-024147 [0,1,0,0,1,0|1,0,0]=3 29 B13R2.10 CC1=NC(C2=CC=NC=C2)=NN1 ALBB-034484 [0,1,0,0,1,0|2,0,0]=4 30 B13R2.10 ClC1=NOC(C2=CC=CC=C2)=N1 ALBB-014788 [0,1,0,0,1,0|1,0,1]=4 31 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 ALBB-021641 [0,1,0,0,1,0|2,0,0]=4 32 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 ALBB-006059 [0,1,0,0,1,0|2,0,0]=4 33 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 ALBB-033735 [0,1,0,0,1,0|0,0,0]=2 34 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 ALBB-000388 [0,1,0,0,1,0|1,0,0]=3 35 B13R2.10 NC1=NC(C2=CC=CC=N2)=CS1 ALBB-015739 [0,1,0,0,1,0|2,0,0]=4 36 B13R2.10 NC1=NC(C2=CC=CN=C2)=NN1 ALBB-017026 [0,1,0,0,1,0|2,0,0]=4 37 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 ALBB-028073 [0,1,0,0,1,0|2,0,0]=4 38 B13R2.10 NC1=NC(C2=CC=NC=C2)=NN1 ALBB-017027 [0,1,0,0,1,0|2,0,0]=4 39 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 ALBB-018609 [0,1,0,0,1,0|1,0,1]=4 40 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 ALBB-017826 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.10 SC1=NC(C2=CC=CC=C2)=CS1 ALBB-012659 [0,1,0,0,1,0|1,0,0]=3 42 B13R2.12 ClC1=CC=C(C2=NNC=C2)C=C1 ALBB-015949 [0,1,0,0,1,0|2,0,0]=4 43 B13R2.12 FC1=CC=C(C2=NNC=C2)C=C1 ALBB-015382 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.12 NC1=CC=C(C2=CC=CO2)C=C1 ALBB-013930 [0,1,0,0,1,0|2,0,0]=4 45 B13R2.12 NC1=CC=C(N2C=CC=N2)C=C1 ALBB-013943 [0,1,0,0,1,0|2,0,0]=4 46 B13R2.13 NC1=CC=CC(C2=CC=CO2)=C1 ALBB-013942 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.15 BrC1=C(C2=CC=CC=C2)N=CN1 ALBB-029785 [0,1,0,0,1,0|0,0,0]=2 48 B13R2.15 NC1=C(C2=CC=CC=C2)C=NN1 ALBB-017250 [0,1,0,0,1,0|2,0,0]=4 49 B15R2.29 ClC1=NN=C(OC2=CC=CC=C2)C=C1 ALBB-014083 [0,1,0,0,0,1|2,0,0]=4 50 B15R2.29 NC1=CC=C(CC2=CC=NC=C2)C=C1 ALBB-010242 [0,1,0,0,0,1|1,0,1]=4 51 B15R2.29 NC1=CC=C(OC2=CC=CC=C2)N=C1 ALBB-031132 [0,1,0,0,0,1|2,0,0]=4 52 B15R2.29 NC1=CC=C(OC2=CN=CC=C2)C=C1 ALBB-005633 [0,1,0,0,0,1|2,0,0]=4 53 B15R2.29 NC1=CC=C(OC2=NC=CC=N2)C=C1 ALBB-031143 [0,1,0,0,0,1|2,0,0]=4 54 B15R2.31 ClC1=NC=CC(NC2=CC=CC=C2)=N1 ALBB-014573 [0,1,0,0,0,1|1,0,1]=4 55 B15R2.31 NC1=NC(NC2=CC=CC=C2)=NC=N1 ALBB-017071 [0,1,0,0,0,1|1,0,1]=4 56 B15R2.38 ClC1=NC=CN=C1OC2=CC=CC=C2 ALBB-032614 [0,1,0,0,0,1|1,0,1]=4 57 B15R2.38 NC1=CC=CC=C1SC2=NC=CC=N2 ALBB-013166 [0,1,0,0,0,1|2,0,0]=4 58 B15R2.64 O=C(CC1=CC=CC=C1)C2=CC=CS2 ALBB-025581 [0,1,0,0,0,1|2,0,0]=4 59 B15R2.100 OC1=CC=C(NCC2=CC=CO2)C=C1 ALBB-012617 [0,1,0,0,0,1|2,0,0]=4 60 B15R2.283 NC1=NC(CCC2=CC=CC=C2)=NN1 ALBB-017030 [0,1,0,0,0,1|1,0,0]=3 61 B15R2.283 NC1=NC(COC2=CC=CC=C2)=NN1 ALBB-017031 [0,1,0,0,0,1|1,0,0]=3 62 B15R2.283 NC1=NC(NCC2=CC=CC=C2)=NN1 ALBB-033096 [0,1,0,0,0,1|1,0,0]=3 63 B15R2.283 NC1=NC(SCC2=CC=CC=C2)=NN1 ALBB-015322 [0,1,0,0,0,1|1,0,0]=3 64 B15R2.283 NC1=NC(SCC2=CC=CC=C2)=NS1 ALBB-018430 [0,1,0,0,0,1|2,0,0]=4 65 B15R2.562 FC1=CC=CC=C1NCC2=CC=CS2 ALBB-025419 [0,1,0,0,0,1|2,0,0]=4 66 B15R2.562 FC1=CC=CC=C1NCC2=CC=CS2 ALBB-025419 [0,1,0,0,0,1|2,0,0]=4 67 B15R2.15 NCC1=CN(CC2=CC=CC=C2)N=C1 ALBB-026608 [0,2,0,0,0,0|2,0,0]=4 68 B15R2.15 NCC1=NC(CC2=CC=CC=C2)=NO1 ALBB-010129 [0,2,0,0,0,0|2,0,0]=4 69 B15R2.15 O=CC1=CN(CC2=CC=CC=C2)N=C1 ALBB-031401 [0,2,0,0,0,0|2,0,0]=4 70 B15R2.98 CC1=CC=C(NC2=NNC(N)=N2)C=C1 ALBB-027462 [0,2,0,0,0,0|2,0,0]=4 71 B15R2.98 NC1=NN(CC2=CC=C(Cl)C=C2)C=C1 ALBB-003719 [0,2,0,0,0,0|2,0,0]=4 72 B15R2.305 NC1=CN(CC2=CC=CC=C2F)N=C1 ALBB-009949 [0,2,0,0,0,0|2,0,0]=4 73 B15R2.325 BrC1=NN(CC2=CC=CC=C2)C(Br)=N1 ALBB-022613 [0,2,0,0,0,0|1,0,1]=4 74 B15R2.325 CC1=CC(N)=NN1CC2=CC=CC=C2 ALBB-009801 [0,2,0,0,0,0|2,0,0]=4 75 B15R2.1115 NC1=CN(CC2=CC(F)=CC=C2)N=C1 ALBB-009946 [0,2,0,0,0,0|2,0,0]=4 76 B15R2.1115 NC1=NC(NC2=CC=CC(Cl)=C2)=NN1 ALBB-027463 [0,2,0,0,0,0|2,0,0]=4 77 B15R2.359 NC1=CC=NN1CC2=CC=CC=C2Cl ALBB-012205 [0,2,0,0,0,0|2,0,0]=4 78 B15R2.1510 NC1=CC=NN1CC2=CC=C(F)C=C2 ALBB-012169 [0,2,0,0,0,0|2,0,0]=4 79 B15R2.123 NCC1=CC=CC=C1CN2C=CC=N2 ALBB-014218 [0,2,0,0,0,0|2,0,0]=4 80 B15R2.34 N#CC1=CC=C(CN2C=CC=N2)C=C1 ALBB-030597 [0,2,0,0,0,0|2,0,0]=4 81 B15R2.34 OCC1=CC=C(CN2C=CC=N2)C=C1 ALBB-011856 [0,2,0,0,0,0|2,0,0]=4 82 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 ALBB-025405 [0,0,1,1,0,0|1,0,1]=4 83 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 ALBB-025405 [0,0,1,1,0,0|1,0,1]=4 84 B15R3.3 C1=CN=C2OC3=C(C=CC=C3)C2=C1 ALBB-033920 [0,0,0,1,0,1|2,0,0]=4 85 B11R2.2 C1=COC(C2=NNC=N2)=C1 ALBB-018236 [0,0,0,0,2,0|2,0,0]=4 86 B15R2.2196 C1=CC=C(CNCC2=CC=CO2)C=C1 ALBB-005355 [0,0,0,0,0,2|2,0,0]=4 87 B15R2.2196 C1=CC=C(CNCC2=CC=CO2)C=C1 ALBB-005355 [0,0,0,0,0,2|2,0,0]=4 88 B15R2.2196 C1=CC=C(CNCC2=NC=CS2)C=C1 ALBB-015101 [0,0,0,0,0,2|2,0,0]=4