0 B11R1.17 CC1=CC=CC=C1CNC#N ALBB-014571 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.17 CC1=CC=CC=C1OCCN ALBB-010256 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.17 CC1=CC=CC=C1OCCN ALBB-010256 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.17 CCCOC1=C(N)C=CC=C1 ALBB-020970 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.17 CCCOC1=C(N)C=CC=C1 ALBB-020970 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.17 FC1=C(OCCBr)C=CC=C1 ALBB-025810 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.17 N#CNCC1=CC=CC=C1Cl ALBB-014569 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.17 N#CNCC1=CC=CC=C1F ALBB-014567 [0,0,0,0,0,0|3,1,0]=4 8 B11R1.17 NCCOC1=C(F)C=CC=C1 ALBB-010290 [0,0,0,0,0,0|3,1,0]=4 9 B11R1.17 NCCOC1=CC=CC=C1Cl ALBB-010287 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.17 NCCOC1=CC=CC=C1Cl ALBB-010287 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.17 OCCOC1=CC=CC=C1Cl ALBB-031252 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.17 [N-]=[N+]=NCC1=C(F)C=CC=C1 ALBB-012312 [0,0,0,0,0,0|2,1,1]=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|2,0,0]=3 15 B10R1.4 CNCC1=CC=CC=C1C ALBB-013357 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.4 CNCC1=CC=CC=C1C ALBB-013357 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.4 N#CCC1=C(Cl)C=CC=C1 ALBB-016811 [1,0,0,0,0,0|0,0,2]=3 18 B10R1.4 NNCC1=CC=CC=C1Cl ALBB-016407 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.4 NNCC1=CC=CC=C1Cl ALBB-016407 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.4 O=S=NC1=CC=CC=C1Cl ALBB-026529 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.4 [N-]=[N+]=NC1=C(Cl)C=CC=C1 ALBB-032799 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 BrCCOC1=CC=CC=C1 ALBB-031662 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 C=CCNC1=CC=CC=C1 ALBB-032919 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 CCCNC1=CC=CC=C1 ALBB-023698 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 O=C=NCC1=CC=CC=C1 ALBB-007528 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 OCCCC1=CC=NC=C1 ALBB-025787 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.25 NCCOC1=C(Cl)C(Cl)=CC=C1 ALBB-033795 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.69 NCCOC1=C(Cl)C=C(F)C=C1 ALBB-031740 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.121 CCCOC1=CC=CC=C1C=O ALBB-001164 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.125 CC(=O)COC1=C(Cl)C=CC=C1 ALBB-035766 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 ALBB-015144 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.125 N=C(N)SCC1=C(Cl)C=CC=C1 ALBB-023120 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 ALBB-011209 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 ALBB-023257 [0,1,0,0,0,0|2,1,0]=4 41 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 ALBB-027317 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 ALBB-000807 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.267 CC1=CC=CC=C1CNCCN ALBB-007196 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.267 CC1=CC=CC=C1CSCCN ALBB-027066 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.267 CNCCNC1=C(C)C=CC=C1 ALBB-016159 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.267 NCCNCC1=C(Cl)C=CC=C1 ALBB-012108 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.267 NCCNCC1=C(F)C=CC=C1 ALBB-012125 [0,1,0,0,0,0|2,1,0]=4 48 B12R1.267 NCCSCC1=CC=CC=C1Cl ALBB-027070 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.267 NCCSCC1=CC=CC=C1F ALBB-027069 [0,1,0,0,0,0|2,1,0]=4 50 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl ALBB-027424 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.371 CC1=C(CC(=O)NN)C=CC=C1 ALBB-031003 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 ALBB-002696 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.371 OC1=C(CC(Br)CBr)C=CC=C1 ALBB-033755 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.374 CC1=CC(OCCN)=C(Cl)C=C1 ALBB-010449 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.374 CCCNC1=CC(C)=CC=C1C ALBB-020231 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.374 NCCOC1=C(Cl)C=CC(Cl)=C1 ALBB-010432 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.24 CC1CCC2=CC=CC=C2N1 ALBB-025689 [0,0,0,1,0,0|2,0,0]=3 58 B12R2.24 CC1CNC2=CC=CC=C2O1 ALBB-020595 [0,0,0,1,0,0|3,0,0]=4 59 B12R2.24 CC1CNC2=CC=CC=C2O1 ALBB-020595 [0,0,0,1,0,0|3,0,0]=4 60 B12R2.32 OCC1CC2=CC=CC=C2O1 ALBB-033756 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.41 C1=CC=C2SCCCNC2=C1 ALBB-006844 [0,0,0,1,0,0|3,0,0]=4 62 B12R2.196 ON1N=NC2=C1C=CC=C2Cl ALBB-005636 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.8 BrCCC1=NC=CC=C1 ALBB-016283 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.8 NCCC1=CC=CN=C1 ALBB-006042 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.8 NCCC1=NC=CC=C1 ALBB-006016 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.8 NNCC1=CC=CC=C1 ALBB-029808 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.8 OCCC1=NC=CC=C1 ALBB-020942 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.15 CC1=C(NN)C=CC=C1 ALBB-005955 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 CC1=C(NN)C=CC=C1 ALBB-005955 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.15 CC1=CC=CC=C1CN ALBB-027035 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.15 CNC1=CC=CC=C1N ALBB-012420 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.15 CNC1=CC=CC=C1N ALBB-012420 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.15 CSC1=C(N)C=CC=C1 ALBB-033047 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 NCC1=C(N)C=CC=C1 ALBB-006006 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.15 NNC1=C(F)C=CC=C1 ALBB-005977 [2,0,0,0,0,0|1,1,0]=4 80 B9R1.15 NNC1=CC=CC=C1Br ALBB-014120 [2,0,0,0,0,0|1,1,0]=4 81 B9R1.15 NNC1=CC=CC=C1Cl ALBB-005963 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.15 OCC1=CC=CN=C1Cl ALBB-014837 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.41 CCNC1=CC=CC=C1OC ALBB-033793 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.41 CCOC1=C(CN)C=CC=C1 ALBB-005366 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.41 CCOC1=CC=CC=C1NN ALBB-006047 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.41 CNCC1=C(OC)C=CC=C1 ALBB-027041 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.41 COC1=C(CNN)C=CC=C1 ALBB-018313 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.81 CCOC1=CC=C(Br)C=C1N ALBB-026275 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.81 CCSC1=CC=C(Cl)C=C1N ALBB-025982 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.81 N#CCC1=C(Cl)C=C(Br)C=C1 ALBB-030436 [1,1,0,0,0,0|0,0,2]=4 91 B11R1.86 CC(C)OC1=CC=CC=C1N ALBB-019151 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.86 CC(C)OC1=CC=CC=C1N ALBB-019151 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.86 CC1=CC=CN=C1CC(C)O ALBB-014212 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 ALBB-026957 [1,1,0,0,0,0|0,1,0]=3 95 B11R1.86 NC(=O)CC1=CC=CC=C1O ALBB-026230 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.182 CCNC1=C(O)C=CC(C)=C1 ALBB-024259 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.222 CCC(N)C1=NC=CC=C1C ALBB-011816 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 ALBB-018686 [1,1,0,0,0,0|0,1,1]=4 99 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 ALBB-024721 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 ALBB-021379 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.605 CCNC1=C(C)C=CC=C1C ALBB-033821 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.605 CCNC1=C(C)C=CC=C1C ALBB-033821 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.605 NC1=C(CCO)C(Cl)=CC=C1 ALBB-010315 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.1 CCCOC1=CC=C(N)C=C1 ALBB-025751 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.1 CCCOC1=CC=C(N)C=C1 ALBB-025751 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.16 CNCC(O)C1=CC=CC=C1 ALBB-031903 [1,1,0,0,0,0|0,0,0]=2 107 B11R1.16 OC(CCCl)C1=CC=CC=C1 ALBB-004119 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.24 CCCNC1=CC(C)=CC=C1 ALBB-007151 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.24 CCCNC1=CC(Cl)=CC=C1 ALBB-007152 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.28 NCCCSC1=CC=CC=C1 ALBB-024257 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.28 NCCNCC1=CC=CC=C1 ALBB-007205 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.28 NCCOCC1=CC=CC=C1 ALBB-010244 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.28 NCCOCC1=CC=CC=C1 ALBB-010244 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.28 NCCSCC1=CC=CC=C1 ALBB-013371 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.28 NCCSCC1=CC=CC=C1 ALBB-013371 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.28 O=C=NCCC1=CC=CC=C1 ALBB-007537 [1,1,0,0,0,0|0,0,2]=4 117 B11R1.40 CCC(=O)CC1=CC=CC=C1 ALBB-022774 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.40 CNC(C)CC1=NC=CN=C1 ALBB-011864 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.40 NNC(=O)CC1=CC=CC=C1 ALBB-001037 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.91 C=C(C)COC1=CC=CC=C1 ALBB-031904 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.91 CC(C)NCC1=CC=CC=C1 ALBB-005976 [1,1,0,0,0,0|2,0,0]=4 122 B13R1.369 NCCSCC1=CC=C(Cl)C=C1Cl ALBB-027073 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.2679 COC(=O)CC1=C(Cl)C=C(Br)C=C1 ALBB-030437 [0,2,0,0,0,0|1,0,1]=4 124 B13R1.84 CCCCOC1=CC=CC=C1C=O ALBB-001192 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl ALBB-006688 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 ALBB-003611 [0,2,0,0,0,0|0,1,1]=4 127 B13R1.528 COC(=O)COC1=CC=CC=C1Cl ALBB-025785 [0,2,0,0,0,0|1,0,1]=4 128 B13R1.528 NNC(=O)CCC1=CC=CC=C1O ALBB-010080 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.528 NNC(=O)COC1=C(Cl)C=CC=C1 ALBB-002559 [0,2,0,0,0,0|1,0,1]=4 130 B13R1.528 O=C(CBr)NCC1=C(Cl)C=CC=C1 ALBB-030947 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.470 CNCC(=O)NC1=CC=CC=C1Cl ALBB-006993 [0,2,0,0,0,0|0,0,1]=3 132 B13R1.8919 NCCSCC1=C(Cl)C=CC=C1Cl ALBB-027075 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.8919 NCCSCC1=C(F)C=CC=C1Cl ALBB-027076 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.4928 NNC(=O)CC1=C(Cl)C=CC=C1Cl ALBB-002511 [0,2,0,0,0,0|1,0,1]=4 135 B13R1.4928 NNC(=O)CC1=C(Cl)C=CC=C1F ALBB-002697 [0,2,0,0,0,0|1,0,1]=4 136 B11R2.10 CN1N=C2C=CC=CC2=N1 ALBB-032316 [1,0,0,1,0,0|2,0,0]=4 137 B11R2.20 C1=CC=C2OCCCC2=C1 ALBB-025929 [1,0,0,1,0,0|1,0,0]=3 138 B11R2.106 ClC1=CC=CC2=C1C=CN2 ALBB-006049 [1,0,0,1,0,0|0,0,2]=4 139 B11R2.1 CN1N=NC2=CC=CC=C21 ALBB-027917 [1,0,0,1,0,0|2,0,0]=4 140 B11R2.1 NC1CCC2=C1C=CC=C2 ALBB-006191 [1,0,0,1,0,0|2,0,0]=4 141 B13R2.26 CNCC1=NC2=CC=CC=C2S1 ALBB-015185 [0,1,0,1,0,0|1,0,1]=4 142 B13R2.3683 CC1CCC2=CC(F)=CC=C2N1 ALBB-025871 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.33 CNCC1=CC=CN1C ALBB-015094 [1,0,0,0,1,0|2,0,0]=4