0 B11R1.41 CCC1=CC=CC=C1N=C=O ALBB-003029 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 CCC1=CC=CC=C1N=S=O ALBB-026542 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.41 CCNC1=CC=CC=C1OC ALBB-033793 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.41 CCOC1=C(CN)C=CC=C1 ALBB-005366 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.41 CCOC1=CC=CC=C1NN ALBB-006047 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.41 CNCC1=C(OC)C=CC=C1 ALBB-027041 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.41 COC1=C(CC#N)C=CC=C1 ALBB-023714 [0,0,0,0,0,0|0,0,2]=2 7 B11R1.41 COC1=C(CNN)C=CC=C1 ALBB-018313 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.41 COC1=C(N=[N+]=[N-])C=CC=C1 ALBB-032808 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.41 COC1=C(\C=N\O)C=CC=C1 ALBB-033909 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.41 COC1=CC=CC=C1N=C=O ALBB-007520 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.4 CC1=CC=CC=C1N=S=O ALBB-026544 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CC1=CC=CC=C1N=[N+]=[N-] ALBB-032793 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.4 CCNC1=CC=CC=C1C ALBB-033822 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 CCNC1=CC=CC=C1N ALBB-016491 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CNCC1=CC=CC=C1C ALBB-013357 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.4 CNCC1=CC=CC=C1C ALBB-013357 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 N#CCC1=C(Cl)C=CC=C1 ALBB-016811 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.4 NNCC1=CC=CC=C1Cl ALBB-016407 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.4 NNCC1=CC=CC=C1Cl ALBB-016407 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.20 CCC1=CC=CC=C1NN ALBB-005992 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.20 CNC1=CC=CC=C1NC ALBB-031676 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.20 COC1=C(C#N)C=CC=N1 ALBB-004986 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.20 COC1=C(NN)C=CC=C1 ALBB-005956 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.20 COC1=NC=CC=C1CN ALBB-014537 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.20 NCC1=C(CO)C=CC=C1 ALBB-032174 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.20 NCC1=CC=CC=C1C#N ALBB-035180 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.121 CCCOC1=CC=CC=C1C=O ALBB-001164 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.121 COC1=C(OCCN)C=CC=C1 ALBB-008911 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.121 O=CC1=C(OCCBr)C=CC=C1 ALBB-031829 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.169 CCOC1=CC=CC=C1N=C=O ALBB-007517 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.268 COC1=C(N=C=O)C=C(C)C=C1 ALBB-003037 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.268 COC1=C(N=C=O)C=C(Cl)C=C1 ALBB-003036 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.268 COC1=C(N=C=S)C=C(Cl)C=C1 ALBB-013130 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.283 CCOC1=CC=CC=C1C(C)=O ALBB-002912 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 ALBB-009345 [0,0,0,1,0,0|2,0,1]=4 36 B12R2.24 CC1CCC2=CC=CC=C2N1 ALBB-025689 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.24 CC1CNC2=CC=CC=C2O1 ALBB-020595 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.24 CC1CNC2=CC=CC=C2O1 ALBB-020595 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.24 O=C1COC2=CC=CC=C2N1 ALBB-020505 [0,0,0,1,0,0|2,0,1]=4 40 B12R2.41 C1=CC=C2SCCCNC2=C1 ALBB-006844 [0,0,0,1,0,0|2,1,0]=4 41 B12R2.1081 CN1CCNC2=CC=CC=C21 ALBB-032047 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.1081 NC1CCCC2=C1C=CC=C2 ALBB-020892 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.1081 NC1CCCC2=C1C=CC=C2 ALBB-020892 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.8 BrCCC1=NC=CC=C1 ALBB-016283 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.8 NCCC1=CC=CN=C1 ALBB-006042 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.8 NCCC1=NC=CC=C1 ALBB-006016 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 NNCC1=CC=CC=C1 ALBB-029808 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.8 OCCC1=NC=CC=C1 ALBB-020942 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 CC1=C(NN)C=CC=C1 ALBB-005955 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.15 CC1=C(NN)C=CC=C1 ALBB-005955 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.15 CC1=CC=CC=C1CN ALBB-027035 [2,0,0,0,0,0|0,0,0]=2 54 B9R1.15 CC1=CC=CN=C1NN ALBB-011831 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.15 CC1=NC=CC=C1CCl ALBB-022808 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 CNC1=CC=CC=C1N ALBB-012420 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.15 CNC1=CC=CC=C1N ALBB-012420 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.15 CSC1=C(N)C=CC=C1 ALBB-033047 [2,0,0,0,0,0|0,1,0]=3 59 B9R1.15 NCC1=C(N)C=CC=C1 ALBB-006006 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.15 NNC1=C(F)C=CC=C1 ALBB-005977 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.15 NNC1=CC=CC=C1Br ALBB-014120 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 NNC1=CC=CC=C1Cl ALBB-005963 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.17 CC1=CC=CC=C1CNC#N ALBB-014571 [1,1,0,0,0,0|0,0,2]=4 64 B11R1.17 CC1=CC=CC=C1OCCN ALBB-010256 [1,1,0,0,0,0|0,0,0]=2 65 B11R1.17 CC1=CC=CC=C1OCCN ALBB-010256 [1,1,0,0,0,0|0,0,0]=2 66 B11R1.17 CCCOC1=C(N)C=CC=C1 ALBB-020970 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.17 CCCOC1=C(N)C=CC=C1 ALBB-020970 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.17 FC1=C(OCCBr)C=CC=C1 ALBB-025810 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.17 NCCOC1=C(F)C=CC=C1 ALBB-010290 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.17 NCCOC1=CC=CC=C1Cl ALBB-010287 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.17 NCCOC1=CC=CC=C1Cl ALBB-010287 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.17 OCCOC1=CC=CC=C1Cl ALBB-031252 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.86 CC1=C(CC(=O)Cl)C=CC=C1 ALBB-031004 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.86 CC1=CC=CN=C1CC(C)O ALBB-014212 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.86 NC(=O)CC1=CC=CC=C1O ALBB-026230 [1,1,0,0,0,0|0,0,1]=3 76 B11R1.182 CCNC1=C(O)C=CC(C)=C1 ALBB-024259 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.222 CCC(N)C1=NC=CC=C1C ALBB-011816 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.605 CCNC1=C(C)C=CC=C1C ALBB-033821 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.605 CCNC1=C(C)C=CC=C1C ALBB-033821 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.605 NC1=C(CCO)C(Cl)=CC=C1 ALBB-010315 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.37 COC1=CC(O)=CC=C1C=O ALBB-006227 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.37 COC1=CC=C(Br)C=C1C#N ALBB-008949 [1,1,0,0,0,0|0,0,2]=4 83 B11R1.37 COC1=CC=C(Cl)C=C1C=O ALBB-001263 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.53 CCC1=CC=CC=C1B(O)O ALBB-011854 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.265 COC1=C(OC)C(N)=CC=C1 ALBB-008908 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.91 COC1=C(NC(=O)CBr)C=CC=C1 ALBB-010547 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.91 COC1=CC=CC=C1NC(=O)CCl ALBB-002271 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.380 C=CCC1=C(OC(C)=O)C=CC=C1 ALBB-033579 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.464 COC1=CC=CC=C1C(=O)CC#N ALBB-027422 [0,2,0,0,0,0|0,0,2]=4 90 B13R1.2209 COC1=CC=C(Br)C=C1C(=O)CBr ALBB-031240 [0,2,0,0,0,0|1,0,1]=4 91 B13R1.2209 COC1=CC=C(Br)C=C1C(=O)NN ALBB-003953 [0,2,0,0,0,0|1,0,1]=4 92 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 ALBB-007462 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.90 COC1=C(CCC(=O)Cl)C=CC=C1 ALBB-034790 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.90 COC1=C(OCC(C)N)C=CC=C1 ALBB-027083 [0,2,0,0,0,0|0,0,0]=2 95 B13R1.90 COC1=CC=CC=C1CCC(=O)O ALBB-006024 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.90 COC1=CC=CC=C1OCC(=O)O ALBB-000231 [0,2,0,0,0,0|1,0,1]=4 97 B13R1.485 CCCC1=C(OCCN)C=CC=C1 ALBB-033433 [0,2,0,0,0,0|1,0,0]=3 98 B13R1.485 CCOC1=C(CCCN)C=CC=C1 ALBB-027055 [0,2,0,0,0,0|0,0,0]=2 99 B13R1.572 CC(C)C1=CC=CC=C1OCCN ALBB-025711 [0,2,0,0,0,0|1,0,0]=3 100 B13R1.572 NCCNC1=CC=CC=C1[N+](=O)[O-] ALBB-025674 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.572 NCCSC1=CC=CC=C1C(=O)O ALBB-032974 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.355 CCOC1=C(OC)C=CC(CN)=C1 ALBB-027046 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.355 CCOC1=CC(C=O)=CC=C1OC ALBB-001312 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.355 COCC1=C(OC)C=CC(C=O)=C1 ALBB-000221 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.3911 CNCC1=CC=CC(OC)=C1OC ALBB-026207 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.3904 CCOC1=C(OC)C=CC=C1C=O ALBB-001277 [0,2,0,0,0,0|2,0,0]=4 107 B11R2.20 C1=CC=C2OCCCC2=C1 ALBB-025929 [1,0,0,1,0,0|1,0,0]=3 108 B11R2.106 CC1=CC=CC2=C1C=CN2 ALBB-006050 [1,0,0,1,0,0|0,0,2]=4 109 B11R2.1 NC1=NOC2=CC=CC=C21 ALBB-006860 [1,0,0,1,0,0|1,0,1]=4 110 B11R2.1 NC1CCC2=C1C=CC=C2 ALBB-006191 [1,0,0,1,0,0|1,0,0]=3 111 B11R2.1 O=C1NCC2=CC=CC=C12 ALBB-012842 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.1613 NCC1OCCC2=CC=CC=C21 ALBB-011874 [0,1,0,1,0,0|1,0,0]=3 113 B13R2.162 CN1CCCC2=CC=C(N)C=C21 ALBB-006390 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.162 CN1CCCC2=CC=C(N)C=C21 ALBB-006390 [0,1,0,1,0,0|2,0,0]=4 115 B13R2.1 NCCC1=CNC2=CC=CC=C12 ALBB-017957 [0,1,0,1,0,0|1,0,1]=4 116 B13R2.1 NCCN1C=NC2=CC=CC=C21 ALBB-017809 [0,1,0,1,0,0|1,0,1]=4 117 B13R2.1 NCCN1CCC2=CC=CC=C21 ALBB-000041 [0,1,0,1,0,0|1,0,0]=3 118 B13R2.1 NCCN1CCC2=CC=CC=C21 ALBB-000041 [0,1,0,1,0,0|1,0,0]=3 119 B13R2.1 OCCN1CCC2=CC=CC=C21 ALBB-022388 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.45 CN1C2=CC=CC=C2N=C1CN ALBB-010696 [0,1,0,1,0,0|1,0,1]=4 121 B13R2.57 BrCC1COC2=CC=CC=C2O1 ALBB-024877 [0,1,0,1,0,0|1,0,0]=3 122 B13R2.57 ClCC1COC2=C(C=CC=C2)O1 ALBB-006569 [0,1,0,1,0,0|1,0,0]=3 123 B13R2.57 NCC1COC2=CC=CC=C2O1 ALBB-009357 [0,1,0,1,0,0|0,0,0]=2 124 B13R2.57 NCC1COC2=CC=CC=C2O1 ALBB-009357 [0,1,0,1,0,0|0,0,0]=2