0 B10R1.61 CC1=NC=NC=C1C(=O)O ALBB-013014 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 N=C(N)C1=CC=CNC1=O ALBB-010782 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 N=C(N)C1=CC=CC=C1 ALBB-021313 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.6 O=C(O)C1=CC=CN=N1 ALBB-012268 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 ALBB-012876 [0,1,0,0,0,0|1,0,0]=2 5 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 ALBB-013462 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.159 CN1C=CC=C(C(=O)O)C1=O ALBB-012329 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.166 NC1=C(C(=O)O)C=NC(O)=N1 ALBB-017210 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 ALBB-013779 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 ALBB-019497 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.222 CNC(=O)C1=CC=CN=C1Cl ALBB-011986 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.222 COC(=N)C1=CC=CNC1=O ALBB-010781 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.222 COC(=O)C1=C(O)N=CN=C1 ALBB-017425 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.222 N\C(=N/O)C1=C(Cl)N=CC=C1 ALBB-016410 [0,1,0,0,0,0|3,0,0]=4 14 B11R2.1 NC1=NOC2=NC=CC=C12 ALBB-008891 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.41 CC1=C(C(=O)O)C=CN1 ALBB-018078 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.41 CC1=C(C(=O)O)N=CO1 ALBB-022765 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.41 CC1=C(C(=O)O)N=CS1 ALBB-022320 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.41 NC1=C(C(=O)O)NN=C1 ALBB-014000 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.41 NC1=CSN=C1C(=O)O ALBB-008116 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.41 O=C(O)C1=C(Br)C=NN1 ALBB-003736 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.41 O=C(O)C1=C(Cl)C=NN1 ALBB-013432 [0,0,0,0,1,0|3,0,0]=4 22 B11R1.86 CC(=O)NC1=CC=CN=C1Cl ALBB-003552 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.86 O=C(O)CN1C=CC=NC1=O ALBB-005387 [0,0,0,0,0,1|2,0,1]=4 24 B11R1.86 O=C(O)CN1N=CC=CC1=O ALBB-031792 [0,0,0,0,0,1|2,0,1]=4 25 B10R1.13 NC(=O)C1=CC=C(N)N=C1 ALBB-025399 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.2 CN1C=CC=C(C=O)C1=O ALBB-026635 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.25 NCC1=C(O)C=C(O)C=C1 ALBB-014856 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 ALBB-017970 [0,1,0,0,1,0|2,0,0]=4 29 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 ALBB-000919 [0,1,0,0,1,0|2,0,0]=4 30 B12R1.46 COC1=C(C(N)=O)C=C(N)C=C1 ALBB-012284 [0,2,0,0,0,0|1,0,0]=3 31 B12R1.46 COC1=CC=C(Br)C=C1C(N)=O ALBB-012019 [0,2,0,0,0,0|1,0,0]=3 32 B12R1.57 CCC1=NC(O)=CC=C1C(=O)O ALBB-033074 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.77 COC1=NC=CC=C1C(=N)NO ALBB-016992 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.261 CN(C)C1=NC=CC=C1C(=O)O ALBB-013445 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.894 CC1=C(Br)C(C(=O)O)=C(N)C=C1 ALBB-033818 [0,2,0,0,0,0|1,0,0]=3 36 B12R1.440 CNC1=NC=CC(C(=O)O)=C1N ALBB-033085 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.511 CC1=CC(=O)C=C(C(=O)O)N1C ALBB-018722 [0,2,0,0,0,0|2,0,0]=4 38 B12R2.202 CC1=C2N=C(S)OC2=CC=C1 ALBB-014708 [0,0,0,1,0,1|1,1,0]=4 39 B12R2.202 O=C1NC2=C(O)C=CC=C2O1 ALBB-036479 [0,0,0,1,0,1|0,0,0]=2 40 B12R2.612 CC1=NOC2=CC(O)=CC=C21 ALBB-016000 [0,1,0,1,0,0|2,0,0]=4 41 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 ALBB-022596 [0,1,0,1,0,0|2,0,0]=4 42 B12R2.1 OCC1=NNC2=C1C=CC=C2 ALBB-024433 [0,1,0,1,0,0|2,0,0]=4 43 B12R2.18 NC1NC2=CC=CC=C2C1=O ALBB-032691 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.7 O=C(O)C1=CNN=C1 ALBB-000146 [1,0,0,0,1,0|2,0,0]=4 45 B8R1.7 O=C(O)C1=NOC=C1 ALBB-021710 [1,0,0,0,1,0|2,0,0]=4