0 B10R1.18 CC(=O)CC1=NC=CN=C1 ALBB-018085 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 N=C(N)CC1=CC=CC=C1 ALBB-033340 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 N=C(N)CC1=CC=CN=C1 ALBB-004984 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 ALBB-010764 [0,1,0,0,0,0|1,0,0]=2 4 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 ALBB-012877 [0,1,0,0,0,0|1,0,1]=3 5 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ALBB-011957 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.86 CC(=O)NC1=CC=CN=C1Cl ALBB-003552 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.86 O=C(O)CN1C=CC=NC1=O ALBB-005387 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.86 O=C(O)CN1N=CC=CC1=O ALBB-031792 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.157 CN(C)CC1=CC(S)=CC=C1 ALBB-015299 [0,1,0,0,0,0|3,0,0]=4 10 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 ALBB-021333 [0,0,0,1,0,0|2,0,0]=3 11 B11R2.10 NC1=NC2=CC=CC=C2O1 ALBB-005881 [0,0,0,1,0,0|2,0,0]=3 12 B11R2.10 NC1=NC2=NC=CC=C2O1 ALBB-025518 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.10 SC1=NC2=CC=CN=C2O1 ALBB-018181 [0,0,0,1,0,0|2,1,0]=4 14 B9R1.6 N=C(N)C1=CC=CC=C1 ALBB-021313 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.6 O=C(O)C1=CC=CN=N1 ALBB-012268 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.13 CC(=O)CC1=CC=CS1 ALBB-016451 [0,0,0,0,1,0|2,0,0]=3 17 B9R1.13 N=C(N)CC1=CC=CS1 ALBB-016450 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.13 NC(=O)CC1=CSC=N1 ALBB-018574 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.13 O=C(O)CN1C=CC=C1 ALBB-012480 [0,0,0,0,1,0|1,0,0]=2 20 B9R1.13 O=C(O)CN1C=CN=N1 ALBB-029721 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.91 CC(N)COC1=CC=CC=C1 ALBB-027081 [0,0,0,0,0,1|2,0,1]=4 22 B11R1.91 N=C(N)CCC1=CC=CC=C1 ALBB-016699 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.91 O=C(O)CCC1=NC=CN=C1 ALBB-031809 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.91 O=C(O)CNC1=NC=CC=N1 ALBB-031458 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 ALBB-026311 [0,0,0,0,0,1|2,0,1]=4 26 B10R1.1 CNCC1=CC=C(Br)C=C1 ALBB-021485 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.1 CNCC1=CC=C(O)C=C1 ALBB-004091 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.4 CC1=CC=CC=C1CNN ALBB-012492 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.10 CNCC1=CC(O)=CC=C1 ALBB-004075 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.10 COCC1=CC=CC(N)=C1 ALBB-024619 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.10 NC1=CC=CC(CCO)=N1 ALBB-033070 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.10 NNCC1=CC(Cl)=CC=C1 ALBB-022670 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.13 NC(=O)C1=CC=C(N)N=C1 ALBB-025399 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.61 CC1=NC=NC=C1C(=O)O ALBB-013014 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.23 CC(C(=O)O)N1C=CC=N1 ALBB-013880 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.23 CC(C(=O)O)N1C=CN=C1 ALBB-027403 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.27 COC(=O)CN1C=CN=C1 ALBB-003878 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.54 CC1=CN(CC(=O)O)N=C1 ALBB-009999 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.54 CC1=NN(CC(=O)O)C=C1 ALBB-004638 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.54 NC1=NN(CC(=O)O)C=C1 ALBB-032676 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.64 CN1N=CC=C1CC(=O)O ALBB-032465 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 ALBB-012307 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 ALBB-027319 [0,1,0,0,0,1|0,0,0]=2 44 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 ALBB-010684 [0,1,0,0,0,1|0,0,0]=2 45 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 ALBB-014868 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 ALBB-025597 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 ALBB-002187 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 ALBB-032456 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.371 NC(CO)CC1=CC=CC=C1F ALBB-033341 [0,2,0,0,0,0|1,0,1]=4 50 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 ALBB-012408 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.606 CC1=CC=C2OC(Cl)=NC2=C1 ALBB-026510 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.606 CC1=CC=C2OC(N)=NC2=C1 ALBB-024676 [0,1,0,1,0,0|2,0,0]=4 53 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 ALBB-024982 [0,1,0,1,0,0|1,0,0]=3 54 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 ALBB-014954 [0,1,0,1,0,0|1,0,0]=3 55 B12R2.606 NC1=NC2=CC(F)=CC=C2O1 ALBB-027302 [0,1,0,1,0,0|2,0,0]=4 56 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 ALBB-012399 [0,1,0,1,0,0|2,0,0]=4 57 B12R2.606 O=C1NC2=CC(O)=CC=C2O1 ALBB-035589 [0,1,0,1,0,0|1,0,0]=3 58 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 ALBB-016086 [0,1,0,1,0,0|1,0,0]=3 59 B12R2.32 NCC1=CC2=CC=CC=C2O1 ALBB-024720 [0,1,0,1,0,0|1,0,1]=4 60 B12R2.32 NCC1=NC2=CC=CC=C2O1 ALBB-005882 [0,1,0,1,0,0|2,0,0]=4 61 B12R2.202 CC1=C2N=C(S)OC2=CC=C1 ALBB-014708 [0,1,0,1,0,0|1,1,0]=4 62 B12R2.202 O=C1NC2=C(O)C=CC=C2O1 ALBB-036479 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.7 O=C(O)C1=CNN=C1 ALBB-000146 [0,0,0,0,2,0|2,0,0]=4 64 B8R1.7 O=C(O)C1=NOC=C1 ALBB-021710 [0,0,0,0,2,0|2,0,0]=4 65 B12R1.252 O=C(O)CNCC1=CC=NC=C1 ALBB-032282 [0,0,0,0,0,2|1,0,0]=3 66 B12R1.252 O=C(O)CNCC1=CN=CC=C1 ALBB-034583 [0,0,0,0,0,2|1,0,0]=3