0 B10R1.1 CCCC1=CN=C(O)N=C1 ALBB-027663 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.1 CNCC1=CC=C(Br)C=C1 ALBB-021485 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 CNCC1=CC=C(Cl)N=C1 ALBB-012309 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.1 CNCC1=CC=C(O)C=C1 ALBB-004091 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.1 CSCC1=CC=C(Cl)N=C1 ALBB-013188 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.1 CC1=CC=C(CCl)C=N1 ALBB-030075 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 CC1=CC=C(CN)C=N1 ALBB-030077 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 CCC1=CN=C(N)N=C1 ALBB-029926 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 CCC1=CN=C(O)N=C1 ALBB-017832 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 COC1=NN=C(Cl)C=C1 ALBB-010083 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 NCC1=CC=C(Cl)N=C1 ALBB-008885 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.1 NCC1=CC=C(Cl)N=C1 ALBB-008885 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.1 OCC1=CC=C(O)N=C1 ALBB-016810 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CCNC1=CC=CN=C1 ALBB-028026 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.1 CC1=CC=C(CCCN)C=C1 ALBB-027049 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.1 NCCCC1=CC=C(Cl)C=C1 ALBB-027052 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.1 NCCCC1=CC=C(F)C=C1 ALBB-027050 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.1 NCCOC1=CC=C(F)C=C1 ALBB-010371 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.1 NCCOC1=CC=C(F)C=C1 ALBB-010371 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.1 NCCOC1=CC=C(N)C=C1 ALBB-010301 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.22 NC(CO)C1=CC=C(F)C=C1 ALBB-013455 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 ALBB-028043 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 ALBB-025270 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.83 COC1=CC=C(CNN)C=C1 ALBB-012491 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.192 CCOC1=CC(N)=C(N)C=C1 ALBB-026815 [0,1,0,0,0,0|1,0,0]=2 25 B11R2.36 NC1=CC2=C(C=C1)NCC2 ALBB-007400 [0,0,0,1,0,0|2,0,0]=3 26 B11R2.36 OC1=CC=C2NC=NC2=C1 ALBB-022265 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.3 CC1=CN=C(O)N=C1 ALBB-017833 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.3 OC1=CC=C(O)N=C1 ALBB-027307 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.13 CC(C)C1=CN=C(O)N=C1 ALBB-018586 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.25 CNC1=C(C)C=C(C)C=C1 ALBB-020240 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.25 NCC1=C(O)C=C(O)C=C1 ALBB-014856 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.176 CCC1=CC(N)=C(O)C=C1 ALBB-010241 [1,1,0,0,0,0|0,0,0]=2 33 B10R1.10 CCNC1=NC(C)=CC=C1 ALBB-028024 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.10 CNCC1=CC(O)=CC=C1 ALBB-004075 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.10 COCC1=CC=CC(N)=C1 ALBB-024619 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.17 BrCCCC1=CC=CN=C1 ALBB-021980 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.17 ClCCCC1=CC=NC=C1 ALBB-022002 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.17 NCCCC1=CC=NC=C1 ALBB-022001 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.96 CCOC1=NC=C(CO)S1 ALBB-015279 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 ALBB-023161 [0,2,0,0,0,0|1,0,0]=3 41 B12R1.16 CCOC(=O)C1=NC=C(O)C=C1 ALBB-028014 [0,2,0,0,0,0|1,0,0]=3 42 B12R1.71 COC1=CC=C(NCCN)C=C1 ALBB-012786 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.4 CN(C)CC1=CC=C(CO)C=C1 ALBB-026958 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.112 CCOC1=C(C#N)C=C(N)C=C1 ALBB-004941 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.116 CCNC1=CC=C(OCC)C=C1 ALBB-021064 [0,2,0,0,0,0|1,0,0]=3 46 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|2,0,0]=4 47 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|2,0,0]=4 48 B12R2.24 FC1=CC=C2NCCCC2=C1 ALBB-025508 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.606 CC1=NC2=CC(O)=CC=C2N1 ALBB-022264 [0,1,0,1,0,0|1,0,1]=4 50 B12R2.606 O=C1NC2=CC(O)=CC=C2O1 ALBB-035589 [0,1,0,1,0,0|1,0,1]=4 51 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 ALBB-016086 [0,1,0,1,0,0|1,0,1]=4 52 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 ALBB-014859 [0,1,0,1,0,0|2,0,0]=4 53 B12R2.44 NCC1=CC=C2NCCC2=C1 ALBB-013525 [0,1,0,1,0,0|2,0,0]=4 54 B12R2.100 CC1=CC2=C(C=C1N)OCO2 ALBB-025243 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.1 CCC1=CC(O)=NN1 ALBB-016424 [1,0,0,0,1,0|2,0,0]=4