0 B10R1.17 BrCCCC1=CC=CN=C1 ALBB-021980 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 ClCCCC1=CC=NC=C1 ALBB-022002 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 N#CNCC1=CN=CC=C1 ALBB-014565 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 NCCCC1=CC=NC=C1 ALBB-022001 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CCNC1=CC=CN=C1 ALBB-028026 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.1 CC1=CC=C(CCCN)C=C1 ALBB-027049 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 ALBB-014199 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.1 NCCCC1=CC=C(Cl)C=C1 ALBB-027052 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.1 NCCCC1=CC=C(F)C=C1 ALBB-027050 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.1 NCCOC1=CC=C(F)C=C1 ALBB-010371 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.1 NCCOC1=CC=C(F)C=C1 ALBB-010371 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.1 NCCOC1=CC=C(N)C=C1 ALBB-010301 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 ALBB-014198 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.17 N#CCCN1C=CC=CC1=O ALBB-025514 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.17 NCCCC1=C(Cl)C=CC=C1 ALBB-027051 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.17 NCCCN1C=CC=CC1=O ALBB-025519 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.24 CC1=CC=CC(CCCN)=C1 ALBB-027048 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.24 CC1=CC=CC(CN=[N+]=[N-])=C1 ALBB-029848 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.24 NCCOC1=CC(Br)=CC=C1 ALBB-025488 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.28 C=CCCNC1=CC=CC=C1 ALBB-032058 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.28 CCNCCC1=CC=CC=C1 ALBB-034844 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.91 CC(N)COC1=CC=CC=C1 ALBB-027081 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 ALBB-017778 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.91 N=C(N)CCC1=CC=CC=C1 ALBB-016699 [0,1,0,0,0,0|2,0,0]=3 26 B11R2.20 C1=CC=C2SCCNC2=C1 ALBB-006553 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.20 C1=CC=C2SCCNC2=C1 ALBB-006553 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.12 CNCCC1=CNN=C1 ALBB-006775 [0,0,0,0,1,0|2,0,0]=3 29 B9R1.12 CNCCC1=CNN=C1 ALBB-006775 [0,0,0,0,1,0|2,0,0]=3 30 B9R1.12 CNCCN1C=NC=N1 ALBB-026681 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.12 NCCCC1=CC=CO1 ALBB-005428 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.12 NCCCC1=CC=CO1 ALBB-005428 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.2 NCC1=NC=NC=C1 ALBB-018328 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.1 CCCC1=CN=C(O)N=C1 ALBB-027663 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.1 CNCC1=CC=C(Br)C=C1 ALBB-021485 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.1 CNCC1=CC=C(Cl)N=C1 ALBB-012309 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.1 CNCC1=CC=C(O)C=C1 ALBB-004091 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.1 CSCC1=CC=C(Cl)N=C1 ALBB-013188 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.4 CC1=CC=CC=C1CNN ALBB-012492 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.10 CC1=CC=CC(CCN)=N1 ALBB-014354 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.10 CCNC1=NC(C)=CC=C1 ALBB-028024 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.10 CNCC1=CC(O)=CC=C1 ALBB-004075 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.10 CNCC1=NC(C)=NC=C1 ALBB-015172 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.10 COCC1=CC=CC(N)=C1 ALBB-024619 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.10 NC1=CC=CC(CCO)=N1 ALBB-033070 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.10 NNCC1=CC(Cl)=CC=C1 ALBB-022670 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.15 CC(NN)C1=CC=CN=C1 ALBB-018062 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.15 CC(NN)C1=CC=NC=C1 ALBB-018061 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.18 N=C(N)CC1=CC=CC=C1 ALBB-033340 [1,1,0,0,0,0|0,0,1]=3 52 B10R1.18 N=C(N)CC1=CC=CN=C1 ALBB-004984 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.16 CNCCC1=CN(C)N=C1 ALBB-014219 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.29 CNCCN1C=CN=C1C ALBB-022652 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 ALBB-023161 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 ALBB-027102 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.267 NCCOCC1=CC=CC=C1Cl ALBB-010307 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.371 NC(CO)CC1=CC=CC=C1F ALBB-033341 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 ALBB-015148 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.382 COC1=CC=CC(CCCN)=C1 ALBB-027053 [0,2,0,0,0,0|2,0,0]=4 61 B10R2.136 C1=CN(C2CNC2)N=C1 ALBB-022629 [0,0,0,1,1,0|2,0,0]=4 62 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|2,0,0]=4 64 B12R2.24 FC1=CC=C2NCCCC2=C1 ALBB-025508 [0,1,0,1,0,0|2,0,0]=4 65 B12R2.24 NC1=CC2=C(CCCC2)N=C1 ALBB-032432 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.24 NC1CCC2=C(C=CC=C2)C1 ALBB-025644 [0,1,0,1,0,0|1,0,0]=3 67 B12R2.132 CN1C=NC2=CC=C(N)C=C21 ALBB-013281 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.2 C1=CC(C2CCCN2)=CC=N1 ALBB-029977 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.1081 CN1CCNC2=CC=CN=C21 ALBB-020105 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.1081 OC1=C2CCNCC2=CC=C1 ALBB-029016 [0,1,0,1,0,0|0,0,0]=2 71 B12R2.612 CN1C=NC2=CC(N)=CC=C21 ALBB-005182 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.612 CN1C=NC2=CC(N)=CC=C21 ALBB-005182 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.612 CN1N=NC2=CC(N)=CC=C21 ALBB-031024 [0,1,0,1,0,0|2,0,0]=4 74 B12R2.18 CN1C2=CC=CC=C2N=C1Cl ALBB-014307 [0,1,0,1,0,0|1,0,1]=4 75 B12R2.94 NC1(CC2=CC=CC=C2)CC1 ALBB-012211 [0,1,0,1,0,0|1,0,0]=3 76 B8R1.8 CCCC1=CNN=C1 ALBB-017834 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.8 CNCC1=CC=NN1 ALBB-018712 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.8 CNCC1=CN=CS1 ALBB-026997 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.8 NCCC1=CSC=C1 ALBB-015286 [1,0,0,0,1,0|1,0,0]=3 80 B8R1.8 NCCC1=CSC=N1 ALBB-031920 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.8 NCCC1=NC=CN1 ALBB-013489 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 83 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 84 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 85 B8R1.8 NCCC1=NNC=C1 ALBB-018082 [1,0,0,0,1,0|2,0,0]=4 86 B8R1.8 NCCN1C=CC=N1 ALBB-008647 [1,0,0,0,1,0|2,0,0]=4 87 B8R1.8 NCCN1C=CC=N1 ALBB-008647 [1,0,0,0,1,0|2,0,0]=4