0 B9R1.35 CC(=O)C1=CN=C(N)O1 ALBB-025486 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CSC(C)=N1 ALBB-015201 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 CC(=O)C1=NC(C)=CN1 ALBB-026369 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC1=CC(C(=O)Cl)=CS1 ALBB-011311 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 CC1=CC(C(=O)O)=CS1 ALBB-000918 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 CC1=CC=C(C(=N)N)O1 ALBB-016449 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC1=CN=C(C(=O)[O-])S1 ALBB-015215 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 CC1=CNC(C(=O)O)=N1 ALBB-014829 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC1=CSC(C(=O)[O-])=N1 ALBB-010055 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 CC1=NC(C(=O)Cl)=CO1 ALBB-028783 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.35 CC1=NC(C(=O)O)=NN1 ALBB-012824 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CC1=NC(C(=O)O)CC1 ALBB-029781 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.35 CC1=NC(C(=O)[O-])=NO1 ALBB-034860 [0,0,0,0,0,0|2,1,1]=4 13 B9R1.35 CC1=NC(C(C)N)=CS1 ALBB-011826 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 CC1=NC([N+](=O)[O-])=CN1 ALBB-020792 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 CC1=NNC(B(O)O)=C1 ALBB-022973 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CC1=NOC(C(=O)O)=C1 ALBB-009979 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.35 CC1=NOC(C(=O)O)C1 ALBB-009863 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 CN1C=C(C(=O)Cl)C=N1 ALBB-009190 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 CN1C=C([N+](=O)[O-])C=N1 ALBB-009786 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 CN1C=CC(C(=O)Cl)=N1 ALBB-009207 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 CN1C=NC(C(=O)O)=N1 ALBB-032094 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 CN1C=NC(C(N)=O)=C1 ALBB-033875 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.35 NC(=O)C1=CC=C(Br)O1 ALBB-010192 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 NC1=NC(C(=O)O)=CS1 ALBB-012475 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.35 O=C(Cl)C1=CC(Br)=CS1 ALBB-011326 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 O=C(O)C1=CC(Cl)=NO1 ALBB-014179 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 O=C(O)C1=NNC(Br)=N1 ALBB-016256 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 O=C(O)C1=NNC(Br)=N1 ALBB-016256 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 O=C(O)C1=NNC(Cl)=N1 ALBB-016255 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 O=C(O)C1=NNC(Cl)=N1 ALBB-016255 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 O=C1NC=C(C(=O)O)N1 ALBB-024887 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.35 O=C1NN=C(C(=O)O)N1 ALBB-000293 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.35 O=C1NN=C(C(=O)O)N1 ALBB-000293 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CC1=CC(C=O)=NN1 ALBB-000096 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.1 CC1=CN=C(C=O)S1 ALBB-015210 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.1 CC1=CNC(C=O)=N1 ALBB-011815 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 CC1=NNC(CO)=C1 ALBB-012529 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 CN1C=C(CO)C=N1 ALBB-012453 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.1 O=CC1=CN=C(Cl)S1 ALBB-015270 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.1 O=CC1=CSC(Br)=C1 ALBB-027002 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 NC(=O)C1=CNN=C1 ALBB-016381 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 O=C(Cl)C1=CC=NN1 ALBB-030529 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 O=C(Cl)C1=CNN=C1 ALBB-036412 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 O=C(O)C1=CNN=C1 ALBB-000146 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 O=C(O)C1=NOC=C1 ALBB-021710 [1,0,0,0,0,0|1,1,0]=3 46 B10R1.14 CC1=CC=C(\C(N)=N/O)O1 ALBB-016413 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.14 CCC(=O)C1=CN(C)N=C1 ALBB-028447 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.14 COC(=O)C1=CC(Cl)=NO1 ALBB-035811 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.14 COC(=O)C1=CC(N)=NN1 ALBB-014008 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.14 COC(=O)C1=NC(C)=NN1 ALBB-033528 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.31 CCC1=CC(C(=O)Cl)=CS1 ALBB-011315 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.31 CCC1=CC(C(=O)Cl)=NO1 ALBB-010036 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.31 CCC1=CC(C(=O)O)=NO1 ALBB-011928 [0,1,0,0,0,0|1,1,0]=3 54 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 ALBB-011329 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.31 CCC1=NC(C(=O)Cl)=CO1 ALBB-028827 [0,1,0,0,0,0|2,1,0]=4 56 B10R1.31 CCC1=NC(C(=O)O)=CO1 ALBB-004280 [0,1,0,0,0,0|1,1,0]=3 57 B10R1.31 CCC1=NC(C(=O)O)=CS1 ALBB-000143 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.31 CCC1=NNC(C(=O)O)=C1 ALBB-016379 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.31 CCC1=NOC(C(=O)O)=C1 ALBB-004577 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.31 COC1=NC=C(C(=O)[O-])S1 ALBB-018323 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.31 CSC1=NC(C(=O)O)=CS1 ALBB-005842 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.31 NCC1=CC=C(C(=O)O)O1 ALBB-027650 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.31 NCC1=CC=C(C(=O)O)O1 ALBB-027650 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.31 O=C(O)C1=NN(CO)C=C1 ALBB-022012 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 ALBB-017835 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 ALBB-017970 [0,1,0,0,0,0|0,0,0]=1 67 B10R1.59 CC1=CN(C)C(C(=O)O)=N1 ALBB-032099 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 ALBB-015747 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.59 CC1=NC(C)=C(C(=O)O)N1 ALBB-028918 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 ALBB-012570 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.59 CC1=NN(C)C=C1C(=O)Cl ALBB-009196 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.59 CN1C=C(C(=O)O)C(N)=N1 ALBB-021794 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.59 CN1C=C(C(N)=O)C(N)=N1 ALBB-034671 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 ALBB-004722 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.59 CN1N=C(N)C=C1C(=O)O ALBB-018294 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.59 CN1N=C(N)C=C1C(=O)O ALBB-018294 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.194 CC1=C(Br)C(C(=O)Cl)=NN1 ALBB-028830 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.194 CC1=C(C(=O)Cl)C=NN1C ALBB-009194 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.194 CC1=C(C(=O)O)C=NN1C ALBB-000188 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.194 CC1=C(C(=O)O)N=NN1C ALBB-025427 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.194 CC1=C(C(N)=O)C=NN1C ALBB-018016 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.194 CC1=C(C)C(C(=O)Cl)=CS1 ALBB-011312 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 ALBB-000919 [0,1,0,0,0,0|0,0,0]=1 84 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 ALBB-004546 [0,1,0,0,0,0|1,1,0]=3 85 B10R1.194 CC1=C(Cl)C(C(=O)Cl)=NN1 ALBB-028831 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.194 CC1=C(Cl)C(C(=O)O)=NN1 ALBB-027971 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.194 NC1=NNC(C(=O)O)=C1Br ALBB-028509 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.13 CC1=CN=C(C(=N)N)C=N1 ALBB-031253 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.13 NC(=O)C1=CC=C(N)N=C1 ALBB-025399 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.54 CC1=CN(CC(=O)O)N=C1 ALBB-009999 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.54 CC1=NN(CC(=O)O)C=C1 ALBB-004638 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.54 CC1=NN=C(CC(=O)O)N1 ALBB-030483 [0,0,0,0,0,1|3,0,0]=4 93 B7R1.1 O=CC1=CN=CS1 ALBB-015207 [2,0,0,0,0,0|2,0,0]=4 94 B7R1.1 O=CC1=CNN=C1 ALBB-016378 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.22 CC1=CC(CO)=C(C)O1 ALBB-016285 [1,1,0,0,0,0|0,1,1]=4 96 B9R1.22 CC1=NC(CO)=C(C)S1 ALBB-028989 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.22 CC1=NN(C)C(C=O)=C1 ALBB-021538 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.23 CC1=NC(C=O)=CN1C ALBB-032457 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.132 CC1=CNC(C=O)=C1C ALBB-021009 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.132 CC1=NC=C(C=O)N1C ALBB-000100 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.132 CC1=NNC(C=O)=C1Br ALBB-014794 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.132 CN1N=CC(C=O)=C1N ALBB-030433 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.11 COC(=O)C1=CC=NO1 ALBB-027244 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.11 NCC(=O)C1=CSC=C1 ALBB-028035 [1,1,0,0,0,0|1,0,0]=3 107 B9R1.41 CC1=C(C(=O)O)C=CN1 ALBB-018078 [1,1,0,0,0,0|1,0,0]=3 108 B9R1.41 CC1=C(C(=O)O)N=CO1 ALBB-022765 [1,1,0,0,0,0|1,1,0]=4 109 B9R1.41 CC1=C(C(=O)O)N=CS1 ALBB-022320 [1,1,0,0,0,0|1,0,0]=3 110 B9R1.41 NC1=C(C(=O)O)NN=C1 ALBB-014000 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.41 NC1=CSN=C1C(=O)O ALBB-008116 [1,1,0,0,0,0|1,0,0]=3 112 B9R1.41 O=C(O)C1=C(Br)C=NN1 ALBB-003736 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.41 O=C(O)C1=C(Cl)C=NN1 ALBB-013432 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 ALBB-013748 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 ALBB-032746 [0,1,0,0,0,1|1,0,0]=3 116 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 ALBB-034163 [0,1,0,0,0,1|1,0,0]=3 117 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 ALBB-036361 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.3 NCC1=CC=C(C(=O)O)C=N1 ALBB-032727 [0,1,0,0,0,1|1,0,0]=3 119 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 ALBB-016433 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br ALBB-019160 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.21 CN1C=CC(C(=O)O)=CC1=O ALBB-025033 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.22 O=C(NO)C1=CC=C(F)C=C1 ALBB-033760 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.166 NC1=C(C(=O)O)C=NC(O)=N1 ALBB-017210 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.645 CC1=NN(C)C=C1CC(=O)O ALBB-014525 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 ALBB-018721 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.159 CN1C=CC=C(C(=O)O)C1=O ALBB-012329 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 ALBB-019497 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 ALBB-027953 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.15 CCOC(=O)C1=CC(C)=NO1 ALBB-014296 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.44 COC(=O)C1=CC(CCl)=CS1 ALBB-004388 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.44 COC(=O)C1=CC(CN)=CS1 ALBB-030530 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.44 COC(=O)C1=CC=C(CBr)S1 ALBB-004387 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.44 COC(=O)C1=CC=C(CN)O1 ALBB-027648 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.44 COC(=O)C1=CC=C(CO)O1 ALBB-004522 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.225 COC(=O)C1=CN(C)N=C1N ALBB-027415 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.226 COC(=O)C1=CC(C)=C(C)O1 ALBB-023710 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.865 COC(=O)C1=NNC(C)=C1Cl ALBB-027970 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.865 COC(=O)C1=NOC(C)=C1Br ALBB-009942 [0,2,0,0,0,0|1,1,0]=4 139 B11R1.48 CCC1=CC(C(=O)O)=NN1C ALBB-018022 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.50 CCC1=NN(C)C(C(=O)O)=C1 ALBB-014915 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 ALBB-022841 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.124 CCCC1=CC(C(=O)Cl)=CS1 ALBB-011316 [0,2,0,0,0,0|1,0,0]=3 143 B11R1.124 CCCC1=NOC(C(=O)O)=C1 ALBB-009882 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.124 CNCC1=CC=C(C(=O)O)S1 ALBB-015084 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.124 COCC1=CC=C(C(=O)O)S1 ALBB-026347 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.175 CC(=O)C1=NNC(C(=O)O)=C1 ALBB-014109 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.175 CC(C)C1=CC(C(=O)Cl)=CS1 ALBB-011317 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 ALBB-000144 [0,2,0,0,0,0|1,0,0]=3 149 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 ALBB-014312 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.175 O=C(O)C1=CC(C(F)F)=NN1 ALBB-026396 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.473 CCC1=C(C)C(C(=O)O)=NO1 ALBB-004423 [0,2,0,0,0,0|1,1,0]=4 152 B11R1.473 CCN1N=CC(C(=O)O)=C1C ALBB-003739 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.672 CC1=C(Br)C(C(=O)O)=NN1C ALBB-012533 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.672 CC1=C(C)N(C)N=C1C(=O)O ALBB-030721 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.672 CC1=C(Cl)C(C(=O)O)=NN1C ALBB-014298 [0,2,0,0,0,0|2,0,0]=4 156 B11R1.49 CCC1=C(C(=O)O)N=C(Cl)S1 ALBB-030768 [0,2,0,0,0,0|2,0,0]=4 157 B11R1.673 CC1=C(Br)C(C(=O)O)=C(C)O1 ALBB-020628 [0,2,0,0,0,0|0,1,0]=3 158 B11R1.673 CC1=C(C)C(C(N)=O)=C(N)S1 ALBB-001585 [0,2,0,0,0,0|1,0,0]=3 159 B11R1.673 CC1=NN(C)C(C(=O)O)=C1C ALBB-030722 [0,2,0,0,0,0|2,0,0]=4 160 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl ALBB-014299 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.64 CC1=C(CO)C(C(=O)O)=NO1 ALBB-012460 [0,2,0,0,0,0|1,1,0]=4 162 B11R1.64 CCC1=C(C)SC=C1C(=O)Cl ALBB-011313 [0,2,0,0,0,0|1,0,0]=3 163 B9R1.13 NC(=O)CC1=CSC=N1 ALBB-018574 [1,0,0,0,0,1|2,0,0]=4 164 B9R1.13 O=C(O)CN1C=CC=C1 ALBB-012480 [1,0,0,0,0,1|2,0,0]=4 165 B11R1.75 CC1=NC(CCC(=O)O)=CS1 ALBB-033837 [0,0,0,0,0,2|1,0,0]=3 166 B11R1.75 CN1C=C(CCC(=O)O)C=N1 ALBB-014916 [0,0,0,0,0,2|2,0,0]=4 167 B11R1.75 CN1C=C(\C=C\C(=O)O)C=N1 ALBB-000266 [0,0,0,0,0,2|2,0,0]=4 168 B11R1.75 NC1=NC(CCC(=O)O)=CS1 ALBB-027789 [0,0,0,0,0,2|2,0,0]=4