0 B9R1.6 N=C(N)C1=CC=CC=C1 ALBB-021313 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 O=C(O)C1=CC=CN=N1 ALBB-012268 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 NC(=O)C1=CC=C(N)N=C1 ALBB-025399 [0,1,0,0,0,0|2,0,0]=3 3 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 ALBB-019968 [0,1,0,0,0,0|2,0,1]=4 4 B10R1.61 CC1=NC=NC=C1C(=O)O ALBB-013014 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.61 N=C(N)C1=CC=CNC1=O ALBB-010782 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.113 CC(N)C1=CC=CC(O)=C1 ALBB-019157 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.7 CC(=O)C1=NC=CN1 ALBB-021708 [0,0,0,0,1,0|3,0,0]=4 8 B8R1.7 NC(=O)C1=CNN=C1 ALBB-016381 [0,0,0,0,1,0|3,0,0]=4 9 B8R1.7 O=C(Cl)C1=CC=NN1 ALBB-030529 [0,0,0,0,1,0|3,0,0]=4 10 B8R1.7 O=C(Cl)C1=CNN=C1 ALBB-036412 [0,0,0,0,1,0|3,0,0]=4 11 B8R1.7 O=C(O)C1=CNN=C1 ALBB-000146 [0,0,0,0,1,0|2,0,0]=3 12 B8R1.7 O=C(O)C1=NOC=C1 ALBB-021710 [0,0,0,0,1,0|2,0,0]=3 13 B10R1.18 CC(=O)CC1=NC=CN=C1 ALBB-018085 [0,0,0,0,0,1|3,0,0]=4 14 B10R1.18 N=C(N)CC1=CC=CC=C1 ALBB-033340 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.18 N=C(N)CC1=CC=CN=C1 ALBB-004984 [0,0,0,0,0,1|3,0,0]=4 16 B9R1.1 CC1=CN=C(C=O)C=N1 ALBB-027969 [1,1,0,0,0,0|2,0,0]=4 17 B9R1.1 OCC1=CC=C(O)N=C1 ALBB-016810 [1,1,0,0,0,0|1,0,1]=4 18 B9R1.2 C=CC1=CC(O)=CC=C1 ALBB-026649 [1,1,0,0,0,0|1,0,0]=3 19 B9R1.11 COC(=O)C1=CC=NO1 ALBB-027244 [0,1,0,0,1,0|2,0,0]=4 20 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,1,0,0,1,0|2,0,0]=4 21 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,1,0,0,1,0|2,0,0]=4 22 B9R1.11 NCC(=O)C1=CSC=C1 ALBB-028035 [0,1,0,0,1,0|2,0,0]=4 23 B9R1.35 CC1=CC(C(=O)Cl)=CS1 ALBB-011311 [0,1,0,0,1,0|2,0,0]=4 24 B9R1.35 CC1=CC(C(=O)O)=CS1 ALBB-000918 [0,1,0,0,1,0|1,0,0]=3 25 B9R1.35 CC1=CNC(C(=O)O)=N1 ALBB-014829 [0,1,0,0,1,0|2,0,0]=4 26 B9R1.35 CC1=NOC(C(=O)O)=C1 ALBB-009979 [0,1,0,0,1,0|2,0,0]=4 27 B9R1.35 NC(=O)C1=CC=C(Br)O1 ALBB-010192 [0,1,0,0,1,0|2,0,0]=4 28 B9R1.35 NC1=NC(C(=O)O)=CS1 ALBB-012475 [0,1,0,0,1,0|2,0,0]=4 29 B9R1.35 O=C(Cl)C1=CC(Br)=CS1 ALBB-011326 [0,1,0,0,1,0|2,0,0]=4 30 B9R1.35 O=C(O)C1=CC(Cl)=NO1 ALBB-014179 [0,1,0,0,1,0|2,0,0]=4 31 B9R1.35 O=C1NC=C(C(=O)O)N1 ALBB-024887 [0,1,0,0,1,0|2,0,0]=4 32 B9R1.41 CC1=C(C(=O)O)C=CN1 ALBB-018078 [0,1,0,0,1,0|1,0,0]=3 33 B9R1.41 CC1=C(C(=O)O)N=CO1 ALBB-022765 [0,1,0,0,1,0|2,0,0]=4 34 B9R1.41 CC1=C(C(=O)O)N=CS1 ALBB-022320 [0,1,0,0,1,0|2,0,0]=4 35 B9R1.41 NC1=C(C(=O)O)NN=C1 ALBB-014000 [0,1,0,0,1,0|2,0,0]=4 36 B9R1.41 NC1=CSN=C1C(=O)O ALBB-008116 [0,1,0,0,1,0|2,0,0]=4 37 B9R1.41 O=C(O)C1=C(Br)C=NN1 ALBB-003736 [0,1,0,0,1,0|2,0,0]=4 38 B9R1.41 O=C(O)C1=C(Cl)C=NN1 ALBB-013432 [0,1,0,0,1,0|2,0,0]=4 39 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 ALBB-010764 [0,1,0,0,0,1|1,0,0]=3 40 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 ALBB-012877 [0,1,0,0,0,1|1,0,0]=3 41 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ALBB-011957 [0,1,0,0,0,1|1,0,0]=3 42 B11R1.86 CC(=O)NC1=CC=CN=C1Cl ALBB-003552 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.86 O=C(O)CN1C=CC=NC1=O ALBB-005387 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.86 O=C(O)CN1N=CC=CC1=O ALBB-031792 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 ALBB-013748 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 ALBB-032746 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 ALBB-034163 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 ALBB-036361 [0,2,0,0,0,0|1,0,0]=3 49 B11R1.3 NCC1=CC=C(C(=O)O)C=N1 ALBB-032727 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 ALBB-016433 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br ALBB-019160 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.21 CN1C=CC(C(=O)O)=CC1=O ALBB-025033 [0,2,0,0,0,0|1,0,0]=3 53 B11R1.22 NC(CO)C1=CC=C(F)C=C1 ALBB-013455 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 ALBB-028043 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 ALBB-019900 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.22 O=C(NO)C1=CC=C(F)C=C1 ALBB-033760 [0,2,0,0,0,0|0,0,0]=2 57 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 ALBB-025270 [0,2,0,0,0,0|0,0,1]=3 58 B11R1.166 NC1=C(C(=O)O)C=NC(O)=N1 ALBB-017210 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 ALBB-013779 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 ALBB-004236 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 ALBB-022383 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.23 N\C(=N/O)C1=CC(Cl)=NC=C1 ALBB-016411 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.23 N\C(=N\O)C1=CC(F)=CC=C1 ALBB-019858 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.222 CNC(=O)C1=CC=CN=C1Cl ALBB-011986 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.222 COC(=N)C1=CC=CNC1=O ALBB-010781 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.222 COC(=O)C1=C(O)N=CN=C1 ALBB-017425 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.222 N\C(=N/O)C1=C(Cl)N=CC=C1 ALBB-016410 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 ALBB-012876 [0,2,0,0,0,0|0,0,0]=2 69 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 ALBB-013462 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.159 CN1C=CC=C(C(=O)O)C1=O ALBB-012329 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 ALBB-019497 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 ALBB-018721 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 ALBB-027953 [0,2,0,0,0,0|1,0,0]=3 74 B11R1.266 O=CC1=CC(C(=O)Cl)=CC=C1 ALBB-028829 [0,2,0,0,0,0|1,0,0]=3 75 B9R1.13 O=C(O)CN1C=CC=C1 ALBB-012480 [0,0,1,1,0,0|1,0,1]=4 76 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 ALBB-021333 [0,0,0,1,0,1|1,0,0]=3 77 B11R2.10 NC1=NC2=CC=CC=C2O1 ALBB-005881 [0,0,0,1,0,1|1,0,0]=3 78 B11R2.10 NC1=NC2=NC=CC=C2O1 ALBB-025518 [0,0,0,1,0,1|2,0,0]=4 79 B11R2.10 SC1=NC2=CC=CN=C2O1 ALBB-018181 [0,0,0,1,0,1|1,1,0]=4 80 B11R2.1 NC1=NOC2=NC=CC=C12 ALBB-008891 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.1 O=CC1=CN=CS1 ALBB-015207 [1,0,0,0,1,0|2,0,0]=4 82 B7R1.1 O=CC1=CNN=C1 ALBB-016378 [1,0,0,0,1,0|2,0,0]=4 83 B11R1.91 N=C(N)CCC1=CC=CC=C1 ALBB-016699 [0,0,0,0,0,2|2,0,0]=4 84 B11R1.91 O=C(O)CCC1=NC=CN=C1 ALBB-031809 [0,0,0,0,0,2|2,0,0]=4 85 B11R1.91 O=C(O)CNC1=NC=CC=N1 ALBB-031458 [0,0,0,0,0,2|2,0,0]=4 86 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 ALBB-026311 [0,0,0,0,0,2|2,0,0]=4