0 B11R2.1 BrC1=NNC2=NC=CC=C12 ALBB-022845 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 NC1=NNC2=NC=CC=C12 ALBB-004826 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 NC1=NOC2=NC=CC=C12 ALBB-008891 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.1 OCC1=NNC2=C1C=CC=C2 ALBB-024433 [0,1,0,0,0,0|2,0,1]=4 4 B12R2.18 NC1NC2=CC=CC=C2C1=O ALBB-032691 [0,1,0,0,0,0|2,0,0]=3 5 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 ALBB-022596 [0,1,0,0,0,0|1,0,0]=2 6 B12R2.203 NC1=NNC2=CC=CC(F)=C21 ALBB-013367 [0,1,0,0,0,0|3,0,0]=4 7 B12R2.612 CC1=CC=C2C(=C1)NN=C2I ALBB-022769 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.612 CC1=NOC2=CC(O)=CC=C21 ALBB-016000 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.61 CC1=NC=NC=C1C(=O)O ALBB-013014 [0,0,1,0,0,0|2,0,0]=3 10 B12R2.24 NC1CCC2=C(C=CC=C2)C1 ALBB-025644 [0,0,0,0,0,1|2,0,1]=4 11 B12R2.1081 NC1=CN=CC2=CC=CC=C12 ALBB-026672 [0,0,0,0,0,1|2,0,1]=4 12 B12R2.1081 SC1=NC=CC2=CC=CC=C21 ALBB-024539 [0,0,0,0,0,1|1,1,1]=4 13 B9R1.6 N=C(N)C1=CC=CC=C1 ALBB-021313 [1,0,1,0,0,0|2,0,0]=4 14 B9R1.6 O=C(O)C1=CC=CN=N1 ALBB-012268 [1,0,1,0,0,0|2,0,0]=4 15 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 ALBB-028043 [0,1,1,0,0,0|2,0,0]=4 16 B11R1.22 O=C(NO)C1=CC=C(F)C=C1 ALBB-033760 [0,1,1,0,0,0|2,0,0]=4 17 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 ALBB-025270 [0,1,1,0,0,0|2,0,0]=4 18 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 ALBB-004236 [0,1,1,0,0,0|2,0,0]=4 19 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 ALBB-022383 [0,1,1,0,0,0|2,0,0]=4 20 B11R1.222 CNC(=O)C1=CC=CN=C1Cl ALBB-011986 [0,1,1,0,0,0|2,0,0]=4 21 B11R1.222 COC(=N)C1=CC=CNC1=O ALBB-010781 [0,1,1,0,0,0|2,0,0]=4 22 B11R1.222 COC(=O)C1=C(O)N=CN=C1 ALBB-017425 [0,1,1,0,0,0|2,0,0]=4 23 B11R1.28 C=CCCNC1=CC=CC=C1 ALBB-032058 [0,1,1,0,0,0|2,0,0]=4 24 B11R1.91 N=C(N)CCC1=CC=CC=C1 ALBB-016699 [0,1,1,0,0,0|2,0,0]=4 25 B11R1.37 COC1=C(C=O)C=C(O)C=C1 ALBB-024747 [0,1,1,0,0,0|2,0,0]=4 26 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 ALBB-012876 [0,1,1,0,0,0|1,0,0]=3 27 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 ALBB-013462 [0,1,1,0,0,0|1,0,0]=3 28 B11R1.159 CN1C=CC=C(C(=O)O)C1=O ALBB-012329 [0,1,1,0,0,0|2,0,0]=4 29 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 ALBB-019497 [0,1,1,0,0,0|2,0,0]=4 30 B11R2.36 CC1=CC=C2C=NNC2=C1 ALBB-022768 [1,1,0,0,0,0|2,0,0]=4 31 B11R2.36 NC1=CC2=C(C=C1)NCC2 ALBB-007400 [1,1,0,0,0,0|2,0,0]=4 32 B11R2.106 CC1=C2NN=CC2=CC=C1 ALBB-006340 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 ALBB-007354 [0,1,0,0,0,1|2,0,0]=4 34 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 ALBB-010223 [0,1,0,0,0,1|1,0,0]=3 35 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 ALBB-010331 [0,1,0,0,0,1|2,0,0]=4 36 B13R2.369 NC1CC2=CC=CC=C2NC1=O ALBB-010402 [0,1,0,0,0,1|1,0,0]=3 37 B13R2.4856 CC1=C2C(=O)C(=O)NC2=CC=C1 ALBB-014229 [0,2,0,0,0,0|2,0,0]=4 38 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 ALBB-014714 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.11 COC(=O)C1=CC=NO1 ALBB-027244 [0,0,1,0,1,0|2,0,0]=4 40 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,0,1,0,1,0|2,0,0]=4 41 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,0,1,0,1,0|2,0,0]=4 42 B9R1.41 CC1=C(C(=O)O)C=CN1 ALBB-018078 [0,0,1,0,1,0|1,0,0]=3 43 B9R1.41 CC1=C(C(=O)O)N=CO1 ALBB-022765 [0,0,1,0,1,0|2,0,0]=4 44 B9R1.41 CC1=C(C(=O)O)N=CS1 ALBB-022320 [0,0,1,0,1,0|2,0,0]=4 45 B13R2.33 O=C1COC2=CC=CC=C2CN1 ALBB-024340 [0,0,0,0,0,2|1,0,0]=3 46 B13R2.163 O=C1CCNC2=CC=CC=C2N1 ALBB-017852 [0,0,0,0,0,2|1,0,0]=3 47 B13R2.163 O=C1CCSC2=CC=CC=C2N1 ALBB-034370 [0,0,0,0,0,2|1,0,0]=3